==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN/LIGASE 09-JUL-12 2LVQ . COMPND 2 MOLECULE: UBIQUITIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.LIU,Y.CHEN,T.HUANG,S.G.TARASOV,A.KING,J.LI,A.M.WEISSMAN,R. . 204 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 14.7 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 . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 31 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 45 22.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 0 0 0 0 0 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 46 0, 0.0 16,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 173.0 8.6 -11.0 -30.7 2 2 A Q E -A 16 0A 79 14,-0.2 62,-3.5 12,-0.0 63,-0.5 -0.926 360.0-170.3-120.3 141.7 8.1 -9.4 -27.3 3 3 A I E -A 15 0A 0 12,-2.1 12,-2.7 -2,-0.4 2,-0.5 -0.918 16.7-133.7-126.6 155.0 5.9 -6.5 -26.3 4 4 A F E -Ab 14 66A 68 61,-3.2 63,-3.2 -2,-0.3 2,-0.5 -0.940 15.2-167.7-115.2 122.4 5.6 -4.5 -23.1 5 5 A V E -Ab 13 67A 0 8,-2.9 8,-2.8 -2,-0.5 2,-0.5 -0.932 6.6-161.7-110.0 125.1 2.2 -3.7 -21.5 6 6 A K E -Ab 12 68A 50 61,-3.1 63,-2.6 -2,-0.5 6,-0.2 -0.913 4.3-152.8-111.3 130.5 2.1 -1.2 -18.7 7 7 A T E > - b 0 69A 14 4,-3.0 3,-1.8 -2,-0.5 63,-0.1 -0.393 35.1-100.2 -91.4 173.1 -0.8 -0.8 -16.3 8 8 A L T 3 S+ 0 0 67 61,-0.6 -1,-0.1 1,-0.3 62,-0.1 0.749 121.6 63.6 -64.3 -24.0 -2.0 2.2 -14.4 9 9 A T T 3 S- 0 0 127 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.485 120.3-108.7 -79.3 -3.6 -0.2 0.8 -11.3 10 10 A G S < S+ 0 0 36 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.178 73.4 143.7 94.9 -17.1 3.2 1.1 -13.2 11 11 A K - 0 0 98 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.279 33.5-160.9 -57.7 135.1 3.3 -2.6 -13.5 12 12 A T E -A 6 0A 59 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.987 6.9-171.2-127.4 125.9 4.9 -3.8 -16.8 13 13 A I E -A 5 0A 27 -8,-2.8 -8,-2.9 -2,-0.4 2,-0.5 -0.878 17.4-135.6-116.2 148.2 4.5 -7.2 -18.3 14 14 A T E -A 4 0A 66 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.896 21.1-164.6-104.3 125.6 6.2 -8.8 -21.3 15 15 A L E -A 3 0A 1 -12,-2.7 -12,-2.1 -2,-0.5 2,-0.7 -0.929 17.5-133.1-115.8 135.1 4.0 -10.7 -23.8 16 16 A E E +A 2 0A 145 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.746 47.6 143.3 -85.3 113.5 5.2 -13.1 -26.4 17 17 A V - 0 0 5 -16,-2.5 3,-0.0 -2,-0.7 -2,-0.0 -0.868 38.0-136.9-142.7 176.2 3.4 -12.3 -29.7 18 18 A E > - 0 0 104 -2,-0.3 3,-2.6 1,-0.1 38,-0.4 -0.917 35.3-105.2-134.6 157.8 3.8 -12.1 -33.4 19 19 A P T 3 S+ 0 0 48 0, 0.0 38,-1.4 0, 0.0 37,-1.1 0.854 122.0 57.5 -50.7 -36.3 2.7 -9.6 -36.1 20 20 A S T 3 S+ 0 0 101 35,-0.2 2,-0.2 36,-0.1 -3,-0.0 0.529 84.5 110.0 -73.9 -6.5 -0.0 -12.0 -37.1 21 21 A D < - 0 0 20 -3,-2.6 35,-1.4 1,-0.1 2,-0.3 -0.489 67.8-129.5 -73.5 139.8 -1.4 -12.0 -33.6 22 22 A T B > -E 55 0B 53 33,-0.2 4,-2.7 -2,-0.2 3,-0.4 -0.636 11.2-126.5 -91.3 148.1 -4.7 -10.2 -33.1 23 23 A I H > S+ 0 0 2 31,-3.1 4,-2.9 29,-0.3 5,-0.2 0.886 114.4 55.1 -57.4 -38.9 -5.3 -7.5 -30.5 24 24 A E H > S+ 0 0 120 28,-2.1 4,-1.0 30,-0.3 -1,-0.3 0.852 110.3 45.6 -62.9 -34.9 -8.3 -9.6 -29.3 25 25 A N H > S+ 0 0 75 -3,-0.4 4,-1.4 27,-0.3 -2,-0.2 0.879 111.7 51.8 -75.3 -38.9 -6.0 -12.6 -28.9 26 26 A V H X S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 3,-0.4 0.926 109.9 48.1 -63.2 -45.3 -3.4 -10.4 -27.1 27 27 A K H X S+ 0 0 16 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.814 106.5 58.9 -66.5 -28.1 -5.9 -9.1 -24.6 28 28 A A H X S+ 0 0 33 -4,-1.0 4,-1.3 -5,-0.2 -1,-0.2 0.850 102.1 54.1 -68.1 -33.1 -7.1 -12.7 -24.1 29 29 A K H X S+ 0 0 57 -4,-1.4 4,-2.4 -3,-0.4 3,-0.2 0.907 108.6 47.8 -66.6 -41.5 -3.5 -13.5 -23.0 30 30 A I H X>S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-1.1 0.844 106.5 59.7 -66.8 -32.2 -3.6 -10.7 -20.4 31 31 A Q H <5S+ 0 0 88 -4,-1.7 -1,-0.2 4,-0.2 -2,-0.2 0.844 113.1 36.6 -64.6 -34.7 -7.0 -12.0 -19.3 32 32 A D H <5S+ 0 0 145 -4,-1.3 -2,-0.2 -3,-0.2 -1,-0.2 0.803 122.4 43.6 -88.7 -32.0 -5.5 -15.4 -18.4 33 33 A K H <5S+ 0 0 132 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.927 133.3 16.9 -80.0 -47.9 -2.2 -14.1 -17.1 34 34 A E T <5S- 0 0 78 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.1 0.679 98.6-124.3 -98.8 -21.4 -3.4 -11.1 -15.0 35 35 A G < + 0 0 53 -5,-1.1 -4,-0.2 1,-0.3 -3,-0.1 0.630 57.7 148.2 87.1 14.5 -7.1 -12.1 -14.8 36 36 A I - 0 0 29 -6,-0.9 -1,-0.3 -9,-0.1 -2,-0.1 -0.741 50.3-119.3 -87.8 120.9 -8.3 -8.9 -16.2 37 37 A P > - 0 0 51 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.291 13.9-128.8 -58.1 138.3 -11.6 -9.3 -18.3 38 38 A P G > S+ 0 0 30 0, 0.0 3,-1.0 0, 0.0 -10,-0.1 0.741 107.2 68.5 -60.3 -23.2 -11.3 -8.2 -22.0 39 39 A D G 3 S+ 0 0 126 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.696 107.0 38.2 -69.1 -19.5 -14.4 -6.1 -21.4 40 40 A Q G < S+ 0 0 65 -3,-2.1 2,-0.8 31,-0.1 32,-0.4 0.236 92.3 107.1-114.2 10.7 -12.3 -3.8 -19.2 41 41 A Q < + 0 0 7 -3,-1.0 2,-0.7 -4,-0.2 30,-0.2 -0.813 42.0 178.2 -98.1 106.5 -9.1 -4.0 -21.3 42 42 A R E -C 70 0A 93 28,-2.4 28,-2.8 -2,-0.8 2,-0.6 -0.905 11.1-162.6-109.5 103.7 -8.4 -0.8 -23.1 43 43 A L E -C 69 0A 5 -2,-0.7 7,-2.4 7,-0.3 2,-0.4 -0.787 8.5-174.6 -91.8 118.2 -5.2 -1.0 -25.1 44 44 A I E -CD 68 49A 22 24,-3.0 24,-3.0 -2,-0.6 2,-0.4 -0.932 5.2-178.3-115.0 133.5 -3.7 2.3 -26.1 45 45 A F E > S- D 0 48A 36 3,-3.5 3,-1.6 -2,-0.4 22,-0.1 -0.983 72.1 -12.1-134.9 121.5 -0.7 2.7 -28.3 46 46 A A T 3 S- 0 0 78 -2,-0.4 3,-0.1 20,-0.3 -1,-0.1 0.825 126.7 -57.6 61.0 33.4 0.9 6.0 -29.3 47 47 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 21,-0.0 2,-0.3 0.131 120.7 104.8 86.2 -21.8 -2.2 7.8 -28.0 48 48 A K E < S-D 45 0A 128 -3,-1.6 -3,-3.5 1,-0.0 2,-0.4 -0.663 71.1-124.6 -94.2 147.4 -4.5 5.8 -30.4 49 49 A Q E -D 44 0A 101 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.753 22.1-132.2 -92.7 137.1 -6.7 3.0 -29.2 50 50 A L - 0 0 3 -7,-2.4 -7,-0.3 -2,-0.4 2,-0.2 -0.632 16.9-128.4 -88.9 144.7 -6.3 -0.4 -30.9 51 51 A E > - 0 0 99 -2,-0.3 3,-0.6 4,-0.1 -28,-0.3 -0.642 13.1-126.5 -91.2 151.8 -9.3 -2.4 -32.1 52 52 A D T 3 S+ 0 0 57 1,-0.3 -28,-2.1 -2,-0.2 2,-1.6 0.933 105.1 56.9 -60.9 -50.7 -9.9 -6.0 -31.1 53 53 A G T 3 S+ 0 0 55 -30,-0.2 2,-0.3 -31,-0.1 -1,-0.3 -0.232 94.1 92.1 -81.2 49.7 -10.3 -7.3 -34.7 54 54 A R < - 0 0 107 -2,-1.6 -31,-3.1 -3,-0.6 -30,-0.3 -0.953 67.5-127.1-138.8 156.9 -6.9 -6.0 -35.8 55 55 A T B -E 22 0B 35 -2,-0.3 4,-0.5 -33,-0.3 3,-0.2 -0.501 29.0-110.4 -98.1 171.7 -3.4 -7.5 -35.9 56 56 A L S > >S+ 0 0 0 -35,-1.4 5,-2.9 -37,-1.1 3,-0.8 0.839 121.1 54.2 -70.1 -31.5 -0.1 -6.0 -34.5 57 57 A S G > 5S+ 0 0 64 -38,-1.4 3,-0.9 3,-0.2 -1,-0.2 0.739 92.8 73.8 -72.9 -21.7 1.1 -5.3 -38.0 58 58 A D G 3 5S+ 0 0 92 -39,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.801 110.2 29.1 -60.5 -30.9 -2.2 -3.4 -38.6 59 59 A Y G < 5S- 0 0 47 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.250 115.0-115.2-111.9 8.5 -0.8 -0.6 -36.4 60 60 A N T < 5 - 0 0 114 -3,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.881 47.3-179.7 57.8 43.1 2.9 -1.4 -37.3 61 61 A I < - 0 0 8 -5,-2.9 -1,-0.2 -6,-0.1 2,-0.1 -0.642 8.9-159.5 -77.8 119.0 3.7 -2.4 -33.8 62 62 A Q > - 0 0 119 -2,-0.5 3,-0.7 1,-0.2 -1,-0.0 -0.374 29.7 -74.4 -91.9 174.8 7.3 -3.4 -33.5 63 63 A K T 3 S+ 0 0 137 1,-0.2 -60,-0.2 -2,-0.1 -1,-0.2 -0.315 114.6 25.4 -68.3 151.8 9.1 -5.5 -31.0 64 64 A E T 3 S+ 0 0 126 -62,-3.5 2,-0.3 1,-0.2 -1,-0.2 0.787 87.3 152.9 64.3 30.7 9.8 -4.0 -27.5 65 65 A S < - 0 0 17 -3,-0.7 -61,-3.2 -63,-0.5 2,-0.5 -0.697 41.8-130.2 -92.2 143.9 6.9 -1.6 -27.9 66 66 A T E -b 4 0A 61 -2,-0.3 2,-0.4 -63,-0.2 -20,-0.3 -0.838 21.9-169.0 -99.3 124.0 5.1 -0.3 -24.8 67 67 A L E -b 5 0A 1 -63,-3.2 -61,-3.1 -2,-0.5 2,-0.5 -0.880 17.3-132.3-110.9 142.5 1.3 -0.5 -24.7 68 68 A H E -bC 6 44A 27 -24,-3.0 -24,-3.0 -2,-0.4 2,-0.7 -0.841 14.7-157.3 -98.7 124.8 -0.8 1.3 -22.2 69 69 A L E -bC 7 43A 2 -63,-2.6 -61,-0.6 -2,-0.5 2,-0.4 -0.882 11.9-176.3-106.1 108.8 -3.6 -0.8 -20.5 70 70 A V E - C 0 42A 24 -28,-2.8 -28,-2.4 -2,-0.7 2,-0.2 -0.848 17.1-136.0-103.9 139.1 -6.4 1.2 -19.1 71 71 A L - 0 0 50 -2,-0.4 2,-0.5 -30,-0.2 -30,-0.2 -0.515 2.1-141.9 -92.1 161.5 -9.2 -0.5 -17.2 72 72 A R + 0 0 102 -32,-0.4 2,-0.8 -2,-0.2 -31,-0.1 -0.812 20.6 179.5-125.7 89.0 -13.0 0.2 -17.5 73 73 A L + 0 0 110 -2,-0.5 2,-0.5 -33,-0.1 3,-0.2 -0.817 8.2 168.0 -95.2 108.3 -14.7 0.1 -14.1 74 74 A R + 0 0 200 -2,-0.8 -2,-0.1 1,-0.2 62,-0.0 -0.983 65.7 15.3-123.7 123.8 -18.4 0.8 -14.4 75 75 A G 0 0 45 -2,-0.5 -1,-0.2 61,-0.0 -2,-0.0 0.754 360.0 360.0 87.7 26.6 -20.8 0.1 -11.6 76 76 A G 0 0 59 -3,-0.2 -2,-0.1 61,-0.0 60,-0.1 0.292 360.0 360.0-175.0 360.0 -18.0 -0.2 -9.0 77 !* 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 78 1 B M 0 0 48 0, 0.0 16,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 153.5 -30.5 3.3 6.2 79 2 B Q E -F 93 0C 91 14,-0.2 62,-3.3 12,-0.0 2,-0.3 -0.884 360.0-172.8-110.6 138.5 -28.3 6.1 7.3 80 3 B I E -F 92 0C 0 12,-2.8 12,-2.3 -2,-0.4 2,-0.5 -0.780 19.1-126.6-121.2 168.4 -25.3 7.5 5.4 81 4 B F E -Fg 91 143C 55 61,-2.0 63,-2.4 -2,-0.3 2,-0.6 -0.961 13.7-160.9-124.9 118.6 -22.6 10.0 6.2 82 5 B V E -Fg 90 144C 0 8,-3.3 8,-3.1 -2,-0.5 2,-0.5 -0.855 11.2-152.8 -98.0 122.6 -21.8 12.9 3.9 83 6 B K E -Fg 89 145C 64 61,-2.5 63,-1.7 -2,-0.6 6,-0.2 -0.848 7.1-152.6-101.3 125.6 -18.4 14.5 4.5 84 7 B T > - 0 0 14 4,-3.1 3,-2.3 -2,-0.5 63,-0.1 -0.587 28.6-112.7 -92.4 157.6 -17.8 18.1 3.6 85 8 B L T 3 S+ 0 0 14 61,-0.4 -1,-0.1 1,-0.3 80,-0.1 0.685 117.4 62.3 -61.7 -18.2 -14.5 19.7 2.6 86 9 B T T 3 S- 0 0 126 2,-0.1 -1,-0.3 79,-0.0 3,-0.1 0.504 124.6-102.4 -85.5 -4.4 -14.7 21.6 5.9 87 10 B G S < S+ 0 0 45 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.556 75.0 145.3 93.6 10.0 -14.6 18.4 7.9 88 11 B K - 0 0 92 -4,-0.1 -4,-3.1 1,-0.0 2,-0.6 -0.611 37.7-151.1 -83.4 139.5 -18.3 18.5 8.6 89 12 B T E -F 83 0C 80 -2,-0.3 2,-0.5 -6,-0.2 -6,-0.2 -0.946 9.6-166.8-116.4 114.3 -20.1 15.2 8.8 90 13 B I E -F 82 0C 11 -8,-3.1 -8,-3.3 -2,-0.6 2,-0.5 -0.861 9.9-147.0-103.2 130.7 -23.8 15.2 7.8 91 14 B T E -F 81 0C 56 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.839 17.8-174.2 -98.4 127.2 -26.0 12.2 8.6 92 15 B L E -F 80 0C 3 -12,-2.3 -12,-2.8 -2,-0.5 2,-0.8 -0.979 20.5-141.9-126.2 134.1 -28.8 11.4 6.2 93 16 B E E +F 79 0C 138 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.834 44.3 142.4 -95.0 109.4 -31.6 8.8 6.4 94 17 B V - 0 0 6 -16,-2.9 -2,-0.0 -2,-0.8 46,-0.0 -0.771 41.7-122.8-136.2-179.9 -32.2 7.4 3.0 95 18 B E > - 0 0 112 -2,-0.2 3,-2.4 4,-0.1 38,-0.3 -0.916 30.0-111.9-127.5 155.2 -33.0 4.1 1.2 96 19 B P T 3 S+ 0 0 53 0, 0.0 38,-1.2 0, 0.0 37,-0.6 0.761 118.0 61.3 -56.6 -23.9 -31.1 2.2 -1.6 97 20 B S T 3 S+ 0 0 104 36,-0.1 2,-0.2 35,-0.1 0, 0.0 0.347 83.7 110.2 -85.5 6.0 -34.0 3.1 -3.8 98 21 B D < - 0 0 20 -3,-2.4 35,-1.6 1,-0.1 36,-0.3 -0.500 67.8-121.4 -83.2 153.2 -33.3 6.8 -3.4 99 22 B T B > -J 132 0D 45 33,-0.2 4,-2.2 -2,-0.2 33,-0.3 -0.640 13.2-124.8 -94.9 151.7 -32.0 8.9 -6.2 100 23 B I H > S+ 0 0 1 31,-2.8 4,-2.1 28,-0.3 5,-0.2 0.865 114.0 56.4 -59.4 -36.6 -28.7 10.9 -6.2 101 24 B E H > S+ 0 0 106 28,-1.2 4,-1.5 30,-0.4 -1,-0.2 0.906 107.7 46.9 -61.9 -42.7 -30.8 14.0 -7.1 102 25 B N H > S+ 0 0 53 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.878 108.0 56.2 -68.5 -38.2 -33.0 13.5 -4.0 103 26 B V H X S+ 0 0 0 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.927 109.1 46.1 -59.4 -44.9 -30.0 13.0 -1.8 104 27 B K H X S+ 0 0 6 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.823 108.8 56.5 -67.8 -31.2 -28.5 16.3 -2.8 105 28 B A H X S+ 0 0 37 -4,-1.5 4,-0.9 1,-0.2 -1,-0.2 0.852 104.5 52.8 -67.8 -34.1 -31.9 17.9 -2.3 106 29 B K H X S+ 0 0 56 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.832 105.0 54.5 -69.9 -32.3 -31.9 16.7 1.2 107 30 B I H X>S+ 0 0 0 -4,-1.3 4,-3.4 1,-0.2 5,-1.3 0.839 104.7 54.4 -69.5 -31.1 -28.6 18.3 1.8 108 31 B Q H <5S+ 0 0 90 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.763 105.1 55.1 -71.8 -24.4 -30.1 21.6 0.6 109 32 B D H <5S+ 0 0 138 -4,-0.9 -1,-0.2 -3,-0.1 -2,-0.2 0.808 119.9 29.6 -77.6 -31.2 -32.8 21.1 3.3 110 33 B K H <5S+ 0 0 114 -4,-1.2 -2,-0.2 3,-0.1 -3,-0.2 0.855 141.1 15.3 -95.6 -45.1 -30.2 20.8 6.0 111 34 B E T <5S- 0 0 82 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.1 0.870 88.5-132.4 -96.2 -51.4 -27.3 22.9 4.7 112 35 B G < + 0 0 42 -5,-1.3 -4,-0.2 1,-0.3 -3,-0.1 0.309 50.5 148.3 112.6 -6.5 -28.9 24.9 1.9 113 36 B I - 0 0 38 -6,-0.4 -1,-0.3 1,-0.1 -2,-0.1 -0.421 55.0-110.1 -64.0 128.2 -26.2 24.3 -0.6 114 37 B P > - 0 0 47 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.396 16.2-133.9 -61.6 131.4 -27.6 24.3 -4.2 115 38 B P G > S+ 0 0 29 0, 0.0 3,-0.7 0, 0.0 -10,-0.1 0.725 103.8 68.0 -58.2 -22.3 -27.6 20.8 -5.8 116 39 B D G 3 S+ 0 0 154 1,-0.2 -3,-0.0 3,-0.1 -12,-0.0 0.837 105.5 39.3 -66.8 -33.4 -26.2 22.4 -8.9 117 40 B Q G < S+ 0 0 86 -3,-1.5 2,-0.7 31,-0.0 32,-0.4 0.325 98.4 98.0 -98.1 6.8 -22.9 23.2 -7.1 118 41 B Q < - 0 0 2 -3,-0.7 2,-0.7 -4,-0.3 30,-0.2 -0.856 51.2-174.6-103.2 109.6 -23.0 19.9 -5.3 119 42 B R E -H 147 0C 35 28,-3.1 28,-3.4 -2,-0.7 2,-0.6 -0.896 13.4-152.3-104.4 107.7 -20.8 17.2 -6.9 120 43 B L E -H 146 0C 3 -2,-0.7 7,-3.2 7,-0.4 2,-0.4 -0.713 15.8-174.7 -84.8 119.9 -21.3 13.9 -5.1 121 44 B I E -HI 145 126C 0 24,-3.2 24,-3.0 -2,-0.6 2,-0.4 -0.896 10.2-165.2-115.4 142.7 -18.2 11.7 -5.3 122 45 B F E > S- I 0 125C 42 3,-3.5 3,-2.1 -2,-0.4 22,-0.1 -0.948 75.2 -25.7-132.4 110.8 -17.9 8.1 -4.1 123 46 B A T 3 S- 0 0 41 -2,-0.4 47,-0.1 20,-0.3 3,-0.1 0.765 128.6 -48.1 59.0 27.6 -14.5 6.5 -3.7 124 47 B G T 3 S+ 0 0 5 45,-0.5 2,-0.3 1,-0.3 -1,-0.3 0.248 118.1 111.3 99.2 -12.7 -13.2 8.8 -6.4 125 48 B K E < -I 122 0C 63 -3,-2.1 -3,-3.5 -49,-0.1 2,-0.3 -0.754 67.9-122.4 -97.5 143.3 -16.1 8.2 -8.8 126 49 B Q E -I 121 0C 85 -2,-0.3 2,-0.6 -5,-0.2 -5,-0.2 -0.663 19.8-133.3 -86.3 135.5 -18.6 10.9 -9.6 127 50 B L - 0 0 4 -7,-3.2 -7,-0.4 -2,-0.3 2,-0.2 -0.791 19.9-129.3 -91.3 120.1 -22.3 10.0 -9.0 128 51 B E > - 0 0 90 -2,-0.6 3,-0.6 1,-0.1 -28,-0.3 -0.460 12.7-130.1 -68.6 137.0 -24.6 11.0 -11.9 129 52 B D T 3 S+ 0 0 85 1,-0.3 2,-1.3 -2,-0.2 -28,-1.2 0.878 104.3 58.8 -54.4 -42.4 -27.6 13.0 -10.8 130 53 B G T 3 S+ 0 0 70 -30,-0.1 -1,-0.3 -31,-0.1 2,-0.3 -0.313 95.3 86.1 -88.0 53.9 -30.0 10.7 -12.7 131 54 B R < - 0 0 89 -2,-1.3 -31,-2.8 -3,-0.6 -30,-0.4 -0.873 67.0-123.2-141.4 174.0 -29.0 7.6 -10.8 132 55 B T B >> -J 99 0D 33 -33,-0.3 3,-0.7 -2,-0.3 4,-0.6 -0.659 30.6-108.4-115.2 172.7 -29.8 5.6 -7.7 133 56 B L G >4>S+ 0 0 0 -35,-1.6 5,-2.8 -37,-0.6 3,-0.8 0.835 118.0 61.1 -69.8 -30.6 -27.7 4.5 -4.7 134 57 B S G 345S+ 0 0 68 -38,-1.2 3,-0.4 -36,-0.3 -1,-0.2 0.709 92.4 67.3 -68.5 -20.8 -28.1 0.9 -6.0 135 58 B D G <45S+ 0 0 69 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.829 111.7 30.7 -70.4 -32.7 -26.3 1.9 -9.2 136 59 B Y T <<5S- 0 0 33 -3,-0.8 -1,-0.2 -4,-0.6 -2,-0.2 0.218 113.9-112.9-109.6 12.2 -23.0 2.5 -7.4 137 60 B N T 5 + 0 0 96 -3,-0.4 2,-0.6 1,-0.2 -3,-0.2 0.797 51.2 176.4 60.7 31.8 -23.7 -0.1 -4.7 138 61 B I < - 0 0 5 -5,-2.8 -1,-0.2 -6,-0.1 2,-0.1 -0.569 6.0-177.9 -72.2 113.0 -23.9 2.6 -2.1 139 62 B Q > - 0 0 126 -2,-0.6 3,-0.8 1,-0.2 2,-0.1 -0.181 34.3 -59.8 -97.8-167.5 -24.8 0.9 1.1 140 63 B K T 3 S+ 0 0 130 1,-0.2 -60,-0.2 -60,-0.1 -1,-0.2 -0.385 116.7 18.3 -76.5 155.8 -25.5 2.2 4.6 141 64 B E T 3 S+ 0 0 134 -62,-3.3 -1,-0.2 1,-0.2 -61,-0.2 0.650 89.5 152.5 59.3 18.0 -22.9 4.2 6.6 142 65 B S < - 0 0 18 -3,-0.8 -61,-2.0 -63,-0.2 2,-0.6 -0.491 48.7-115.6 -78.9 148.2 -21.1 4.9 3.4 143 66 B T E -g 81 0C 40 -2,-0.2 2,-0.5 -63,-0.1 -20,-0.3 -0.753 26.2-161.1 -88.7 119.1 -19.0 8.0 3.0 144 67 B L E -g 82 0C 0 -63,-2.4 -61,-2.5 -2,-0.6 2,-0.5 -0.890 10.6-142.2-102.1 124.5 -20.2 10.5 0.4 145 68 B H E -gH 83 121C 15 -24,-3.0 -24,-3.2 -2,-0.5 2,-0.8 -0.755 7.9-151.6 -89.0 124.5 -17.7 13.0 -0.8 146 69 B L E - H 0 120C 1 -63,-1.7 -61,-0.4 -2,-0.5 2,-0.4 -0.850 16.0-173.1-100.1 107.4 -19.2 16.5 -1.4 147 70 B V E - H 0 119C 0 -28,-3.4 -28,-3.1 -2,-0.8 2,-0.2 -0.805 10.1-146.4-101.1 140.5 -17.2 18.3 -4.1 148 71 B L - 0 0 38 -2,-0.4 2,-0.3 40,-0.3 -30,-0.1 -0.580 9.4-162.0-100.3 165.6 -17.8 21.9 -5.0 149 72 B R + 0 0 98 -32,-0.4 2,-0.3 -2,-0.2 41,-0.1 -0.956 13.2 175.5-152.8 130.3 -17.5 23.6 -8.4 150 73 B L - 0 0 88 -2,-0.3 2,-0.9 39,-0.2 -2,-0.0 -0.803 6.2-174.7-140.0 94.9 -17.1 27.2 -9.5 151 74 B R + 0 0 89 -2,-0.3 -2,-0.0 1,-0.1 39,-0.0 -0.797 24.1 146.1 -93.9 105.5 -16.6 27.9 -13.2 152 75 B G 0 0 87 -2,-0.9 -1,-0.1 0, 0.0 0, 0.0 0.008 360.0 360.0-126.5 27.3 -16.0 31.6 -13.7 153 76 B G 0 0 119 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.378 360.0 360.0 158.9 360.0 -13.6 31.6 -16.6 154 !* 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 0.0 155 453 D S 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -63.1 4.9 26.1 7.5 156 454 D N > + 0 0 83 1,-0.1 4,-2.1 3,-0.0 5,-0.2 0.622 360.0 125.2 62.4 15.5 2.7 24.2 5.0 157 455 D S H > S+ 0 0 69 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.956 74.7 38.5 -68.4 -51.4 0.6 23.2 8.0 158 456 D Q H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.849 115.0 55.8 -69.0 -34.2 -2.7 24.5 6.6 159 457 D L H > S+ 0 0 34 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.935 109.2 45.4 -63.9 -46.6 -1.8 23.3 3.1 160 458 D N H X S+ 0 0 69 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.910 111.9 52.5 -63.5 -42.8 -1.2 19.7 4.2 161 459 D A H X S+ 0 0 63 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.879 113.8 42.9 -61.2 -40.4 -4.4 19.8 6.3 162 460 D M H X S+ 0 0 58 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.899 114.6 50.1 -73.0 -41.2 -6.4 20.9 3.3 163 461 D A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.916 107.0 53.8 -63.6 -45.1 -4.7 18.6 0.9 164 462 D H H X S+ 0 0 102 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.861 104.2 57.1 -58.7 -36.1 -5.2 15.5 3.1 165 463 D Q H X S+ 0 0 34 -4,-1.1 4,-0.9 1,-0.2 3,-0.3 0.909 110.0 43.3 -61.6 -42.1 -8.9 16.4 3.1 166 464 D I H X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.3 3,-0.3 0.833 105.7 63.1 -72.4 -32.5 -9.1 16.2 -0.6 167 465 D Q H < S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.811 102.9 50.6 -61.2 -30.6 -6.9 13.0 -0.6 168 466 D E H < S+ 0 0 100 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.794 111.1 48.5 -76.3 -29.7 -9.8 11.4 1.3 169 467 D M H < S+ 0 0 1 -4,-0.9 -45,-0.5 -3,-0.3 -2,-0.2 0.901 121.0 34.2 -76.4 -44.1 -12.3 12.5 -1.3 170 468 D F >< - 0 0 19 -4,-2.9 3,-1.1 -47,-0.1 2,-0.6 -0.821 64.4-177.8-116.9 92.5 -10.2 11.3 -4.3 171 469 D P T 3 S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.002 81.7 56.4 -78.3 33.5 -8.3 8.1 -3.4 172 470 D Q T 3 S+ 0 0 101 -2,-0.6 -5,-0.1 -5,-0.0 -48,-0.0 0.016 81.4 101.1-152.7 30.0 -6.7 8.2 -6.8 173 471 D V S < S- 0 0 10 -3,-1.1 2,-0.3 -6,-0.2 29,-0.1 -0.973 77.7-105.2-125.4 133.7 -5.0 11.6 -7.1 174 472 D P >> - 0 0 32 0, 0.0 4,-1.6 0, 0.0 3,-1.0 -0.415 24.1-143.9 -58.3 119.4 -1.3 12.3 -6.6 175 473 D Y H 3> S+ 0 0 85 -2,-0.3 4,-2.0 1,-0.3 5,-0.2 0.843 99.5 54.0 -53.1 -40.4 -0.8 14.0 -3.2 176 474 D H H 3> S+ 0 0 136 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.802 107.0 51.6 -68.6 -27.6 2.0 16.2 -4.6 177 475 D L H <> S+ 0 0 34 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.820 107.0 53.7 -77.7 -30.5 -0.3 17.5 -7.4 178 476 D V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.938 107.9 48.9 -67.0 -46.8 -3.0 18.3 -4.8 179 477 D L H X S+ 0 0 25 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.758 106.3 61.9 -63.7 -24.6 -0.6 20.4 -2.8 180 478 D Q H >X S+ 0 0 99 -4,-0.8 3,-1.1 2,-0.2 4,-0.6 0.970 107.9 37.7 -66.4 -55.7 0.3 22.1 -6.1 181 479 D D H >X>S+ 0 0 15 -4,-1.7 4,-2.9 1,-0.3 5,-1.0 0.825 107.3 68.1 -67.2 -29.5 -3.1 23.5 -6.9 182 480 D L H 3<5S+ 0 0 0 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.752 101.5 47.4 -61.1 -24.7 -3.6 24.3 -3.2 183 481 D Q H <<5S+ 0 0 101 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.658 118.1 42.1 -89.6 -17.4 -0.9 26.9 -3.5 184 482 D L H <<5S+ 0 0 115 -3,-0.8 -2,-0.2 -4,-0.6 -3,-0.1 0.919 132.3 16.6 -92.3 -59.1 -2.4 28.3 -6.6 185 483 D T T <5S- 0 0 39 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.1 0.889 78.2-161.9 -82.2 -42.9 -6.2 28.4 -5.9 186 484 D R < + 0 0 173 -5,-1.0 2,-0.3 1,-0.1 -4,-0.1 0.769 58.8 102.0 63.3 28.3 -5.9 28.0 -2.1 187 485 D S >> - 0 0 33 -6,-0.2 4,-2.9 1,-0.1 3,-2.0 -0.917 63.3-154.4-147.4 116.2 -9.5 27.0 -2.1 188 486 D V H 3> S+ 0 0 20 -2,-0.3 4,-1.4 1,-0.3 -40,-0.3 0.735 96.9 67.7 -59.3 -23.5 -10.9 23.4 -1.8 189 487 D E H 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 -39,-0.2 0.746 115.1 25.9 -69.1 -23.7 -14.0 24.6 -3.7 190 488 D I H <> S+ 0 0 50 -3,-2.0 4,-3.2 -41,-0.1 -2,-0.2 0.720 116.4 61.3-108.5 -33.0 -11.9 25.1 -6.8 191 489 D T H X S+ 0 0 0 -4,-2.9 4,-1.7 2,-0.2 -3,-0.2 0.969 108.8 41.2 -59.6 -57.8 -9.1 22.6 -6.2 192 490 D T H X S+ 0 0 0 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.817 116.1 53.8 -61.2 -29.4 -11.3 19.5 -6.1 193 491 D D H > S+ 0 0 0 -5,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.947 103.5 53.9 -68.8 -49.1 -13.2 21.1 -9.0 194 492 D N H X>S+ 0 0 12 -4,-3.2 5,-3.2 1,-0.2 4,-2.1 0.841 107.4 52.9 -54.2 -36.7 -10.1 21.5 -11.1 195 493 D I H <5S+ 0 0 21 -4,-1.7 -1,-0.2 3,-0.2 5,-0.2 0.936 110.1 46.1 -65.9 -46.4 -9.3 17.8 -10.7 196 494 D L H <5S+ 0 0 41 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.846 112.1 52.2 -65.2 -36.1 -12.8 16.8 -11.9 197 495 D E H <5S- 0 0 68 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.912 122.6-103.3 -67.1 -43.0 -12.5 19.2 -14.9 198 496 D G T <5S+ 0 0 59 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.580 83.9 123.9 124.8 25.1 -9.1 17.8 -15.9 199 497 D R < + 0 0 162 -5,-3.2 2,-0.3 -6,-0.2 -4,-0.2 0.720 68.2 65.8 -82.7 -22.9 -6.6 20.4 -14.8 200 498 D I S S- 0 0 11 -6,-0.6 2,-0.3 -5,-0.2 -22,-0.0 -0.791 91.5-114.5-101.9 142.2 -4.8 17.7 -12.8 201 499 D Q - 0 0 140 -2,-0.3 -24,-0.1 -27,-0.1 -2,-0.1 -0.614 29.1-139.4 -78.6 131.2 -2.9 14.8 -14.4 202 500 D V - 0 0 98 -2,-0.3 2,-2.1 1,-0.1 -29,-0.1 -0.394 37.3 -81.2 -84.8 163.9 -4.4 11.4 -13.7 203 501 D P + 0 0 65 0, 0.0 -193,-0.1 0, 0.0 -1,-0.1 -0.431 66.5 163.8 -67.8 78.9 -2.3 8.2 -13.0 204 502 D F - 0 0 99 -2,-2.1 -196,-0.1 -195,-0.1 -197,-0.1 -0.865 37.1-118.3-102.9 131.7 -1.5 7.4 -16.6 205 503 D P 0 0 7 0, 0.0 -197,-0.1 0, 0.0 -137,-0.1 -0.299 360.0 360.0 -66.2 149.8 1.3 4.9 -17.5 206 504 D T 0 0 157 -139,-0.0 -139,-0.1 -196,-0.0 0, 0.0 -0.972 360.0 360.0-163.5 360.0 4.2 6.1 -19.5