==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-JUN-04 1TTE . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-24 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR N.MERKLEY,G.S.SHAW . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 59.1 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 . 18 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 0.9 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 . 23 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 66 30.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 3 0 2 0 1 0 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 . 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 S > 0 0 85 0, 0.0 4,-0.9 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 171.2 33.0 22.8 -9.2 2 2 A S T >4 + 0 0 97 2,-0.2 3,-0.8 1,-0.2 4,-0.4 0.983 360.0 35.3 -67.7 -60.1 34.0 24.5 -5.9 3 3 A R T >> S+ 0 0 126 1,-0.2 3,-1.3 2,-0.2 4,-0.6 0.832 112.8 62.3 -63.7 -32.6 30.4 25.2 -4.6 4 4 A A H >> S+ 0 0 2 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.795 87.8 72.0 -63.4 -28.6 29.3 21.9 -6.1 5 5 A K H S+ 0 0 99 -3,-1.3 4,-0.6 -4,-0.4 -1,-0.2 0.934 111.2 31.8 -59.1 -48.8 29.3 21.0 -1.0 7 7 A I H S+ 0 0 25 -4,-0.7 5,-0.6 1,-0.2 -1,-0.2 0.834 112.4 56.5 -70.7 -33.3 25.4 7.2 -0.6 15 15 A K H <5S+ 0 0 106 -4,-2.3 2,-2.5 1,-0.1 -1,-0.2 0.700 78.0 104.9 -71.2 -19.4 27.9 6.4 -3.4 16 16 A D T <5S- 0 0 112 -4,-1.2 -1,-0.1 -3,-0.4 -3,-0.0 -0.384 104.9 -52.0 -65.3 78.5 30.0 4.6 -0.8 17 17 A D T 5S- 0 0 130 -2,-2.5 2,-1.4 1,-0.1 -1,-0.1 0.493 89.5 -55.7 62.6 145.4 29.1 1.1 -1.9 18 18 A P T 5S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.298 95.6 123.9 -55.0 87.0 25.4 -0.0 -2.4 19 19 A A > < + 0 0 56 -2,-1.4 3,-0.9 -5,-0.6 -3,-0.1 -0.981 46.9 34.3-148.5 158.2 24.3 0.8 1.2 20 20 A A T 3 S- 0 0 71 -2,-0.3 3,-0.1 1,-0.2 -6,-0.1 0.369 98.9-105.5 78.8 -4.9 21.7 2.9 3.0 21 21 A H T 3 S+ 0 0 121 1,-0.2 19,-0.5 -7,-0.1 -1,-0.2 0.799 79.9 139.7 55.1 28.7 19.2 2.1 0.2 22 22 A I < - 0 0 53 -3,-0.9 2,-0.3 17,-0.1 -1,-0.2 -0.650 36.6-163.2-102.3 160.3 19.8 5.7 -0.9 23 23 A T E +A 38 0A 33 15,-1.0 15,-0.7 -2,-0.2 2,-0.3 -0.987 11.7 173.4-146.8 133.4 20.2 7.2 -4.4 24 24 A L E +A 37 0A 17 -2,-0.3 2,-0.5 13,-0.3 13,-0.2 -0.849 6.2 166.5-144.8 104.2 21.6 10.5 -5.7 25 25 A E - 0 0 123 11,-2.8 2,-0.4 -2,-0.3 11,-0.3 -0.948 22.3-150.2-123.6 112.4 22.0 11.2 -9.4 26 26 A F - 0 0 76 -2,-0.5 2,-0.8 9,-0.2 9,-0.2 -0.670 3.2-158.4 -83.2 127.5 22.6 14.7 -10.6 27 27 A V + 0 0 98 7,-1.1 2,-0.3 -2,-0.4 7,-0.1 -0.712 52.4 92.8-107.6 80.7 21.3 15.5 -14.1 28 28 A S S S- 0 0 48 -2,-0.8 4,-0.2 1,-0.1 -2,-0.1 -0.981 72.3 -96.8-164.2 155.4 23.3 18.5 -15.2 29 29 A E S S- 0 0 145 -2,-0.3 -1,-0.1 2,-0.3 4,-0.1 0.280 76.1 -55.4 -58.7-164.9 26.5 19.5 -17.2 30 30 A S S S+ 0 0 90 1,-0.2 2,-1.3 2,-0.1 -1,-0.1 0.787 134.1 69.1 -47.6 -29.4 29.8 20.3 -15.5 31 31 A D S S- 0 0 88 -30,-0.0 2,-0.5 -27,-0.0 -2,-0.3 -0.636 83.2-155.5 -94.7 77.6 27.8 22.8 -13.5 32 32 A I + 0 0 13 -2,-1.3 3,-0.1 -4,-0.2 -2,-0.1 -0.362 38.4 142.5 -56.8 105.4 25.6 20.6 -11.4 33 33 A H + 0 0 66 -2,-0.5 25,-1.6 1,-0.2 2,-0.6 0.679 57.0 57.3-115.3 -36.1 22.6 22.7 -10.6 34 34 A H E - B 0 57A 75 23,-0.2 -7,-1.1 -3,-0.2 2,-0.3 -0.895 68.3-168.4-105.7 119.0 19.7 20.3 -10.7 35 35 A L E - B 0 56A 4 21,-1.8 21,-3.0 -2,-0.6 2,-0.4 -0.737 7.9-162.5-105.1 154.1 19.9 17.3 -8.3 36 36 A K E - B 0 55A 62 -11,-0.3 -11,-2.8 -2,-0.3 2,-0.6 -0.871 5.4-172.8-140.2 104.0 17.8 14.2 -8.3 37 37 A G E +AB 24 54A 0 17,-1.1 17,-1.3 -2,-0.4 -13,-0.3 -0.864 9.6 179.1-102.5 121.9 17.6 11.9 -5.3 38 38 A T E -AB 23 53A 8 -15,-0.7 -15,-1.0 -2,-0.6 2,-0.3 -0.720 13.6-153.4-115.3 166.4 15.7 8.6 -5.6 39 39 A F - 0 0 34 13,-0.8 13,-0.5 -2,-0.2 2,-0.4 -0.965 7.3-146.1-145.5 125.0 15.1 5.7 -3.2 40 40 A L + 0 0 80 -19,-0.5 11,-0.2 -2,-0.3 -2,-0.0 -0.757 28.4 162.6 -92.7 131.8 14.4 2.0 -3.9 41 41 A G E -D 50 0B 12 9,-1.8 9,-1.5 -2,-0.4 8,-0.1 -0.998 33.7-115.0-150.0 145.7 12.1 0.2 -1.6 42 42 A P E - 0 0 97 0, 0.0 8,-0.2 0, 0.0 0, 0.0 -0.153 39.4 -98.8 -71.9 171.0 10.0 -3.1 -1.6 43 43 A P E + 0 0 102 0, 0.0 6,-0.2 0, 0.0 7,-0.1 0.243 64.9 122.2 -73.0-158.8 6.2 -3.2 -1.5 44 44 A G E S+ 0 0 76 1,-0.1 5,-0.1 4,-0.1 3,-0.0 0.510 77.1 45.4 112.0 11.1 4.0 -3.9 1.5 45 45 A T E > S-D 48 0B 32 3,-0.8 3,-0.9 97,-0.0 -1,-0.1 -0.879 78.5-119.0-177.8 145.0 2.0 -0.7 1.4 46 46 A P T 3 S+ 0 0 26 0, 0.0 99,-0.2 0, 0.0 100,-0.1 0.573 116.0 52.2 -68.1 -8.5 0.1 1.5 -1.2 47 47 A Y T 3 S+ 0 0 21 1,-0.2 2,-0.4 98,-0.1 67,-0.1 0.601 115.6 36.6-101.2 -16.7 2.4 4.4 -0.3 48 48 A E E < +D 45 0B 32 -3,-0.9 -3,-0.8 1,-0.1 -1,-0.2 -1.000 66.0 103.9-140.4 138.9 5.7 2.4 -0.9 49 49 A G E S+ 0 0 18 -2,-0.4 2,-0.3 -6,-0.2 100,-0.1 0.286 75.9 11.1 152.0 67.3 6.7 -0.2 -3.4 50 50 A G E S-D 41 0B 24 -9,-1.5 -9,-1.8 -8,-0.2 2,-0.3 -0.956 95.9 -28.3 155.5-133.4 8.9 0.7 -6.3 51 51 A K - 0 0 62 94,-0.3 2,-0.4 -2,-0.3 -11,-0.2 -0.910 41.4-160.2-124.1 151.3 11.0 3.7 -7.2 52 52 A F - 0 0 17 -13,-0.5 -13,-0.8 -2,-0.3 2,-0.7 -0.987 2.0-162.3-135.6 125.5 10.7 7.4 -6.5 53 53 A V E -B 38 0A 46 -2,-0.4 20,-0.7 -15,-0.2 2,-0.7 -0.889 7.4-169.3-110.5 106.3 12.3 10.3 -8.4 54 54 A V E -BC 37 71A 6 -17,-1.3 -17,-1.1 -2,-0.7 2,-0.7 -0.831 20.1-135.9 -98.1 112.6 12.4 13.6 -6.5 55 55 A D E -BC 36 70A 74 15,-1.6 15,-1.4 -2,-0.7 2,-0.4 -0.531 29.0-170.6 -68.7 110.0 13.4 16.6 -8.6 56 56 A I E -BC 35 69A 0 -21,-3.0 -21,-1.8 -2,-0.7 2,-0.5 -0.854 14.9-160.5-108.3 141.4 15.9 18.5 -6.5 57 57 A E E -BC 34 68A 73 11,-1.4 11,-1.3 -2,-0.4 -23,-0.2 -0.921 8.7-175.4-123.1 104.8 17.3 22.0 -7.3 58 58 A V - 0 0 7 -25,-1.6 -51,-0.1 -2,-0.5 -2,-0.0 -0.879 9.3-164.2-104.5 111.2 20.5 22.9 -5.5 59 59 A P - 0 0 59 0, 0.0 6,-0.0 0, 0.0 -1,-0.0 0.086 33.3 -99.3 -76.4-167.0 21.7 26.5 -6.2 60 60 A M S S+ 0 0 63 -56,-0.0 2,-0.4 0, 0.0 -56,-0.1 -0.350 78.7 116.9-114.2 50.3 25.2 28.0 -5.5 61 61 A E - 0 0 128 1,-0.1 3,-0.0 -58,-0.1 0, 0.0 -0.958 40.5-172.9-122.2 137.3 24.4 29.7 -2.2 62 62 A Y S S+ 0 0 133 -2,-0.4 2,-0.6 1,-0.1 3,-0.5 0.898 70.2 74.0 -90.7 -51.3 26.0 28.9 1.2 63 63 A P S S- 0 0 94 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.537 121.3 -14.8 -70.2 111.7 23.9 31.2 3.6 64 64 A F S S- 0 0 176 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.0 0.989 75.5-175.2 57.4 79.6 20.5 29.6 4.0 65 65 A K - 0 0 48 -3,-0.5 -1,-0.2 33,-0.2 -3,-0.0 -0.732 4.1-167.8-108.7 82.6 20.4 27.1 1.1 66 66 A P - 0 0 83 0, 0.0 2,-0.4 0, 0.0 35,-0.1 -0.589 19.6-133.9 -73.9 109.9 16.9 25.5 1.1 67 67 A P - 0 0 10 0, 0.0 2,-0.2 0, 0.0 -9,-0.2 -0.499 19.2-137.5 -68.2 118.2 16.9 22.4 -1.1 68 68 A K E -C 57 0A 103 -11,-1.3 -11,-1.4 -2,-0.4 2,-0.3 -0.531 23.8-177.6 -78.5 141.9 13.9 22.5 -3.4 69 69 A M E +C 56 0A 1 -2,-0.2 18,-0.9 -13,-0.2 2,-0.3 -0.990 11.9 145.0-144.1 131.2 11.9 19.3 -4.0 70 70 A Q E +C 55 0A 56 -15,-1.4 -15,-1.6 -2,-0.3 2,-1.4 -0.914 49.8 23.8-152.6 178.1 8.9 18.6 -6.2 71 71 A F E > +C 54 0A 103 -2,-0.3 4,-0.5 -17,-0.2 15,-0.2 -0.434 59.0 167.4 63.3 -91.1 7.2 16.0 -8.4 72 72 A D T >4 S- 0 0 2 -2,-1.4 3,-2.0 -19,-0.6 -18,-0.2 0.918 83.5 -27.6 41.4 93.3 8.7 12.8 -7.0 73 73 A T T 34 S- 0 0 16 -20,-0.7 -1,-0.2 1,-0.3 3,-0.2 0.703 96.3 -99.9 46.2 23.4 6.6 10.0 -8.5 74 74 A K T 34 - 0 0 95 -21,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 58.9-167.3 35.5 36.2 3.8 12.6 -8.6 75 75 A V << - 0 0 8 -3,-2.0 2,-1.3 -4,-0.5 -1,-0.2 -0.260 19.9-131.0 -54.7 132.4 2.6 10.9 -5.4 76 76 A Y + 0 0 102 -3,-0.2 5,-0.2 65,-0.1 -1,-0.1 -0.680 54.1 136.5 -90.5 86.7 -0.9 12.0 -4.5 77 77 A H - 0 0 6 3,-2.5 49,-0.1 -2,-1.3 50,-0.1 -0.981 67.9-114.0-134.0 145.6 -0.5 12.9 -0.8 78 78 A P S S+ 0 0 10 0, 0.0 44,-1.2 0, 0.0 45,-1.2 0.752 122.6 34.3 -45.8 -26.6 -1.8 15.8 1.3 79 79 A N S S+ 0 0 15 1,-0.2 2,-0.4 42,-0.1 3,-0.2 0.862 118.2 51.6 -95.5 -49.6 1.8 16.8 1.7 80 80 A I S S+ 0 0 0 1,-0.2 -3,-2.5 7,-0.2 7,-0.2 -0.776 110.9 16.5 -96.3 134.6 3.3 15.8 -1.7 81 81 A S + 0 0 16 5,-0.6 -1,-0.2 -2,-0.4 -4,-0.1 0.981 62.9 159.8 70.9 82.3 1.7 16.9 -5.0 82 82 A S S S- 0 0 25 -3,-0.2 44,-0.1 4,-0.1 -2,-0.1 0.808 79.3 -31.2 -99.5 -42.1 -0.6 19.8 -4.1 83 83 A V S S+ 0 0 119 40,-0.0 40,-0.0 3,-0.0 0, 0.0 0.445 139.2 1.5-145.0 -46.2 -1.0 21.5 -7.5 84 84 A T S S- 0 0 97 -13,-0.0 -13,-0.1 0, 0.0 -10,-0.0 -0.022 124.3 -59.0-142.1 30.8 2.2 21.0 -9.5 85 85 A G S S+ 0 0 0 1,-0.2 2,-0.3 -15,-0.1 -13,-0.1 0.804 75.5 148.0 89.1 98.6 4.4 18.9 -7.3 86 86 A A - 0 0 39 -16,-0.2 -5,-0.6 -15,-0.2 2,-0.2 -0.921 25.3-155.7-163.8 134.8 5.3 20.3 -3.9 87 87 A I - 0 0 10 -18,-0.9 2,-0.5 -2,-0.3 -7,-0.2 -0.687 12.4-138.9-110.5 165.8 6.1 18.8 -0.5 88 88 A C + 0 0 34 -2,-0.2 2,-0.2 4,-0.1 -8,-0.1 -0.868 46.1 131.1-127.4 96.4 5.9 20.2 3.1 89 89 A L S S- 0 0 26 -2,-0.5 2,-1.8 -10,-0.1 6,-0.1 -0.709 78.7 -74.5-151.4 95.4 8.8 19.2 5.2 90 90 A D S > S+ 0 0 51 -2,-0.2 2,-1.7 1,-0.2 4,-0.9 -0.304 130.0 49.1 56.0 -83.2 10.8 21.7 7.3 91 91 A I T 4 S+ 0 0 14 -2,-1.8 -1,-0.2 1,-0.2 14,-0.0 -0.467 101.5 67.1 -85.8 67.1 12.7 23.3 4.4 92 92 A L T 4 S- 0 0 57 -2,-1.7 -1,-0.2 -24,-0.1 -4,-0.1 0.424 117.7 -0.3-144.6 -53.6 9.7 23.8 2.1 93 93 A R T 4 S- 0 0 189 -3,-0.4 -2,-0.1 1,-0.0 -5,-0.1 0.637 141.5 -2.4-117.4 -30.1 7.3 26.4 3.5 94 94 A N < - 0 0 114 -4,-0.9 -4,-0.1 0, 0.0 -3,-0.1 -0.441 69.0-160.7-167.7 84.0 9.0 27.4 6.8 95 95 A A - 0 0 47 1,-0.1 -4,-0.1 -6,-0.1 -5,-0.1 -0.414 6.1-165.3 -70.4 143.2 12.2 25.7 7.9 96 96 A W S S+ 0 0 187 1,-0.2 -1,-0.1 -2,-0.1 -5,-0.1 -0.060 73.2 38.8-118.7 30.3 13.2 26.0 11.5 97 97 A S > - 0 0 52 3,-0.1 3,-0.9 -7,-0.0 -1,-0.2 -0.674 56.8-153.9-179.2 120.2 16.8 24.8 11.2 98 98 A P T 3 S+ 0 0 110 0, 0.0 -33,-0.2 0, 0.0 -34,-0.1 0.414 93.5 71.2 -79.7 3.0 19.5 25.5 8.5 99 99 A V T 3 + 0 0 113 2,-0.1 2,-1.2 1,-0.0 -2,-0.0 0.692 62.6 113.1 -89.9 -22.1 21.2 22.2 9.5 100 100 A I < - 0 0 29 -3,-0.9 -3,-0.1 4,-0.1 5,-0.1 -0.316 60.4-155.9 -55.2 91.4 18.4 20.0 7.9 101 101 A T > - 0 0 31 -2,-1.2 4,-1.0 1,-0.1 3,-0.3 0.012 28.8-100.6 -62.7 175.9 20.5 18.5 5.1 102 102 A L H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.833 120.3 63.8 -69.5 -33.0 19.0 17.2 1.9 103 103 A K H > S+ 0 0 130 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.844 100.5 52.8 -59.6 -34.6 19.3 13.6 3.2 104 104 A S H > S+ 0 0 43 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.879 106.9 51.5 -69.0 -38.9 16.8 14.5 5.9 105 105 A A H X S+ 0 0 0 -4,-1.0 4,-0.9 2,-0.2 -2,-0.2 0.874 114.2 43.8 -65.6 -38.2 14.3 15.9 3.4 106 106 A L H >X S+ 0 0 22 -4,-2.0 4,-1.2 2,-0.2 3,-0.8 0.952 114.8 46.3 -71.8 -52.0 14.4 12.7 1.4 107 107 A I H 3X S+ 0 0 99 -4,-2.5 4,-1.4 1,-0.3 -2,-0.2 0.808 108.0 60.0 -60.6 -30.0 14.3 10.3 4.3 108 108 A S H 3X S+ 0 0 33 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.828 99.0 57.0 -67.7 -32.4 11.5 12.3 5.7 109 109 A L H < S+ 0 0 15 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.871 101.2 57.0 -69.1 -37.7 5.8 10.6 5.5 113 113 A L H 3< S+ 0 0 12 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.875 111.0 43.3 -61.1 -38.3 4.4 8.5 2.7 114 114 A Q T 3< S+ 0 0 95 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 -0.061 105.7 76.0 -97.9 31.6 3.6 5.7 5.2 115 115 A S S < S- 0 0 56 -3,-1.6 2,-0.3 -5,-0.0 -1,-0.1 -0.771 72.3-147.3-146.1 96.0 2.2 8.2 7.7 116 116 A P + 0 0 84 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.472 21.0 172.9 -66.9 122.7 -1.3 9.8 7.1 117 117 A E + 0 0 111 -2,-0.3 3,-0.3 -5,-0.1 10,-0.1 -0.554 17.3 148.9-131.6 68.1 -1.4 13.4 8.4 118 118 A P + 0 0 49 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.250 50.8 94.7 -84.4 13.4 -4.8 14.9 7.3 119 119 A N S S- 0 0 154 1,-0.2 -2,-0.0 -3,-0.0 8,-0.0 0.994 109.4 -11.5 -67.0 -64.5 -4.9 17.0 10.5 120 120 A D S S+ 0 0 153 -3,-0.3 -1,-0.2 7,-0.0 4,-0.1 -0.471 90.4 148.7-139.1 65.0 -3.4 20.2 9.1 121 121 A P - 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0 0 167 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.350 67.7-130.4 -57.6 121.8 6.5 -8.7 -21.4 166 166 A Y - 0 0 137 -2,-0.2 -1,-0.1 -3,-0.1 30,-0.0 -0.559 12.9-159.3 -77.9 136.9 3.0 -8.6 -22.9 167 167 A G + 0 0 55 -2,-0.3 2,-0.6 1,-0.1 5,-0.2 -0.033 63.3 100.9-105.3 30.6 0.5 -11.0 -21.4 168 168 A I + 0 0 39 3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 -0.765 61.8 65.4-118.0 85.1 -1.9 -10.9 -24.4 169 169 A D S > S+ 0 0 109 -2,-0.6 4,-0.9 21,-0.0 -2,-0.1 0.066 107.5 10.9-155.4 -85.1 -1.4 -14.0 -26.5 170 170 A H H > S+ 0 0 139 2,-0.2 4,-3.1 3,-0.2 5,-0.1 0.678 121.8 63.2 -85.2 -19.2 -2.2 -17.5 -25.3 171 171 A D H > S+ 0 0 109 2,-0.2 4,-0.9 1,-0.2 -1,-0.1 0.960 111.5 35.3 -69.3 -50.1 -4.0 -16.3 -22.2 172 172 A L H > S+ 0 0 20 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.799 120.8 52.1 -71.0 -29.5 -6.7 -14.5 -24.2 173 173 A I H X S+ 0 0 8 -4,-0.9 4,-3.4 1,-0.2 -2,-0.2 0.914 100.2 59.4 -72.6 -46.1 -6.5 -17.3 -26.7 174 174 A D H X S+ 0 0 92 -4,-3.1 4,-1.7 1,-0.2 5,-0.2 0.809 103.1 56.4 -53.4 -31.7 -6.9 -20.1 -24.2 175 175 A E H X S+ 0 0 83 -4,-0.9 4,-1.0 2,-0.2 -1,-0.2 0.965 115.9 31.7 -66.9 -54.5 -10.2 -18.6 -23.3 176 176 A F H X>S+ 0 0 3 -4,-1.2 5,-1.5 2,-0.2 4,-1.4 0.818 116.7 60.3 -73.2 -32.2 -11.8 -18.7 -26.8 177 177 A E H ><5S+ 0 0 89 -4,-3.4 3,-1.1 1,-0.2 -3,-0.2 0.989 109.0 38.4 -59.3 -64.1 -9.9 -21.8 -27.7 178 178 A S H 3<5S+ 0 0 93 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.799 107.2 70.3 -57.3 -29.2 -11.2 -24.2 -25.1 179 179 A Q H 3<5S- 0 0 117 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.895 126.9 -91.2 -55.5 -43.3 -14.6 -22.4 -25.6 180 180 A G T <<5S+ 0 0 66 -4,-1.4 -3,-0.2 -3,-1.1 -2,-0.1 0.097 93.0 109.7 151.8 -23.2 -14.9 -24.1 -29.0 181 181 A F < - 0 0 33 -5,-1.5 -1,-0.5 1,-0.1 2,-0.2 -0.401 65.0-118.7 -77.8 155.6 -13.4 -21.5 -31.3 182 182 A E >> - 0 0 104 31,-0.2 3,-2.7 -2,-0.1 4,-1.2 -0.559 27.2-103.5 -94.0 159.6 -10.1 -22.2 -33.1 183 183 A K H 3> S+ 0 0 114 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.879 121.0 63.8 -45.3 -46.3 -6.9 -20.2 -32.7 184 184 A D H 3> S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.773 101.8 53.2 -51.6 -27.1 -7.6 -18.6 -36.1 185 185 A K H <> S+ 0 0 55 -3,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.960 110.2 42.7 -74.0 -54.2 -10.6 -17.1 -34.5 186 186 A I H X S+ 0 0 0 -4,-1.2 4,-3.7 1,-0.2 3,-0.5 0.940 112.0 54.4 -58.0 -50.9 -8.9 -15.5 -31.5 187 187 A V H X S+ 0 0 50 -4,-2.6 4,-2.9 1,-0.3 5,-0.3 0.907 107.4 51.1 -50.0 -48.2 -6.0 -14.1 -33.6 188 188 A E H X S+ 0 0 139 -4,-1.2 4,-0.8 -5,-0.3 -1,-0.3 0.853 119.0 36.8 -59.2 -37.9 -8.5 -12.4 -36.0 189 189 A V H X S+ 0 0 3 -4,-1.5 4,-1.5 -3,-0.5 5,-0.4 0.761 118.5 49.8 -87.1 -28.2 -10.3 -10.8 -33.1 190 190 A L H < S+ 0 0 21 -4,-3.7 4,-0.3 -5,-0.2 -3,-0.2 0.936 107.3 52.2 -75.4 -49.7 -7.2 -10.1 -31.0 191 191 A R H < S+ 0 0 214 -4,-2.9 -3,-0.1 -5,-0.3 -2,-0.1 0.914 112.5 45.3 -53.9 -48.4 -5.0 -8.5 -33.7 192 192 A R H < S+ 0 0 113 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.972 130.8 21.7 -61.6 -54.6 -7.7 -6.0 -34.6 193 193 A L S < S- 0 0 63 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.972 75.6-172.8 -76.1 -80.2 -8.5 -5.1 -30.9 194 194 A G - 0 0 44 -5,-0.4 -4,-0.1 -4,-0.3 -3,-0.1 0.931 14.3-172.7 83.6 51.1 -5.5 -6.0 -28.8 195 195 A V - 0 0 36 1,-0.1 3,-0.1 -5,-0.0 -1,-0.1 -0.252 18.4-173.6 -72.7 163.4 -6.9 -5.5 -25.3 196 196 A K S S+ 0 0 121 1,-0.1 2,-1.3 -30,-0.0 -1,-0.1 0.644 76.6 55.2-124.0 -46.0 -4.7 -5.7 -22.2 197 197 A S S S+ 0 0 90 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.473 75.8 161.4 -92.5 63.2 -7.0 -5.4 -19.2 198 198 A L - 0 0 37 -2,-1.3 5,-0.1 -3,-0.1 -26,-0.0 -0.615 29.0-140.5 -86.5 144.2 -9.3 -8.2 -20.1 199 199 A D - 0 0 80 -2,-0.3 4,-0.2 1,-0.1 3,-0.1 -0.756 11.8-131.3-104.6 150.9 -11.5 -9.9 -17.6 200 200 A P S S- 0 0 89 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.950 101.4 -5.9 -63.0 -51.9 -12.3 -13.6 -17.2 201 201 A N S S+ 0 0 146 1,-0.1 0, 0.0 5,-0.0 0, 0.0 -0.216 129.3 63.9-140.5 45.7 -16.1 -13.2 -17.0 202 202 A D + 0 0 128 -3,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.180 66.0 115.5-165.5 58.1 -16.7 -9.4 -16.9 203 203 A N > - 0 0 32 -4,-0.2 4,-1.1 1,-0.1 -5,-0.1 -0.994 45.9-157.5-138.4 130.5 -15.5 -7.7 -20.1 204 204 A N H > S+ 0 0 142 -2,-0.4 4,-1.5 1,-0.2 5,-0.2 0.910 97.3 56.3 -69.2 -44.1 -17.6 -5.9 -22.7 205 205 A T H > S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.860 99.7 62.7 -56.5 -37.2 -15.0 -6.3 -25.4 206 206 A A H > S+ 0 0 22 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.956 99.9 50.6 -53.9 -56.3 -15.2 -10.1 -24.9 207 207 A N H X S+ 0 0 105 -4,-1.1 4,-1.6 1,-0.3 -1,-0.2 0.902 113.1 46.9 -49.1 -45.8 -18.9 -10.3 -25.8 208 208 A R H X S+ 0 0 163 -4,-1.5 4,-1.1 2,-0.2 -1,-0.3 0.862 112.2 52.1 -65.3 -35.5 -18.1 -8.4 -29.0 209 209 A I H >X S+ 0 0 1 -4,-2.5 4,-2.5 -3,-0.2 3,-1.0 0.977 108.6 46.7 -64.7 -57.3 -15.1 -10.7 -29.6 210 210 A I H 3X S+ 0 0 27 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.829 100.7 72.1 -54.6 -31.5 -17.0 -13.9 -29.3 211 211 A E H 3< S+ 0 0 93 -4,-1.6 3,-0.3 -5,-0.4 -1,-0.3 0.928 110.8 28.0 -48.8 -51.8 -19.5 -12.3 -31.6 212 212 A E H X< S+ 0 0 84 -4,-1.1 3,-1.5 -3,-1.0 -1,-0.2 0.801 106.1 78.5 -80.1 -31.8 -17.1 -12.6 -34.5 213 213 A L H 3< S+ 0 0 1 -4,-2.5 -31,-0.2 1,-0.3 -2,-0.2 0.820 87.9 60.4 -45.4 -36.9 -15.4 -15.7 -33.0 214 214 A L T 3< 0 0 109 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.1 -0.060 360.0 360.0 -85.8 35.1 -18.4 -17.7 -34.2 215 215 A K < 0 0 171 -3,-1.5 -1,-0.0 -2,-0.2 0, 0.0 -0.813 360.0 360.0-179.7 360.0 -17.7 -16.8 -37.9