==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 29-JUN-07 2QGX . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2 Q1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.NECULAI,G.V.AVVAKUMOV,S.XUE,J.R.WALKER,F.MACKENZIE,J.WEIGE . 638 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 74.3 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 . 112 17.6 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 . 4 0.6 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 . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 195 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 2 0 1 0 0 0 2 3 2 4 4 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 . 10 4 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 S > 0 0 109 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 143.7 -32.0 13.5 -14.3 2 3 A V H > + 0 0 69 2,-0.2 4,-2.5 3,-0.1 5,-0.2 0.829 360.0 50.4 -82.4 -35.3 -30.7 10.0 -14.5 3 4 A Q H > S+ 0 0 156 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.939 111.6 45.7 -68.7 -49.2 -28.1 10.5 -11.8 4 5 A A H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 116.1 48.5 -61.7 -37.2 -30.4 12.0 -9.2 5 6 A T H X S+ 0 0 8 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.925 114.6 43.4 -68.5 -46.8 -32.9 9.3 -10.0 6 7 A D H X S+ 0 0 35 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.932 112.9 52.1 -65.3 -47.2 -30.4 6.4 -9.7 7 8 A R H X S+ 0 0 45 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.910 110.2 49.8 -53.7 -45.5 -28.8 7.9 -6.6 8 9 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.888 109.5 50.2 -63.0 -41.4 -32.2 8.1 -5.0 9 10 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.873 107.9 54.3 -65.9 -37.1 -33.0 4.5 -5.8 10 11 A K H X S+ 0 0 83 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.931 107.9 50.6 -59.4 -46.6 -29.7 3.4 -4.3 11 12 A E H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 3,-0.4 0.947 110.2 46.8 -57.8 -53.7 -30.5 5.2 -1.1 12 13 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.847 111.2 53.2 -60.2 -34.8 -34.0 3.6 -0.6 13 14 A R H X S+ 0 0 37 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.822 110.2 48.6 -69.1 -31.9 -32.5 0.2 -1.5 14 15 A D H >< S+ 0 0 54 -4,-1.7 3,-1.5 -3,-0.4 4,-0.3 0.966 108.8 51.4 -68.3 -55.9 -29.9 0.8 1.3 15 16 A I H >< S+ 0 0 0 -4,-2.9 3,-1.2 1,-0.3 6,-0.4 0.859 106.3 57.2 -47.8 -40.2 -32.5 1.9 3.8 16 17 A Y H 3< S+ 0 0 19 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.794 111.5 40.5 -65.4 -29.2 -34.5 -1.3 3.0 17 18 A R T << S+ 0 0 127 -3,-1.5 2,-0.3 -4,-0.8 -1,-0.3 0.203 92.5 110.8-105.4 14.2 -31.5 -3.6 3.9 18 19 A S S X> S- 0 0 16 -3,-1.2 4,-2.0 -4,-0.3 3,-0.7 -0.712 70.3-134.8 -92.5 139.9 -30.4 -1.6 7.0 19 20 A Q H 3> S+ 0 0 147 -2,-0.3 4,-1.8 1,-0.2 6,-0.2 0.742 107.3 65.0 -62.1 -21.5 -30.8 -3.0 10.5 20 21 A S H 34>S+ 0 0 30 2,-0.2 5,-1.8 1,-0.2 6,-0.4 0.907 109.0 36.1 -64.9 -42.9 -32.1 0.4 11.4 21 22 A F H <45S+ 0 0 41 -3,-0.7 3,-0.5 -6,-0.4 -2,-0.2 0.734 116.4 54.2 -83.6 -26.1 -35.1 -0.1 9.1 22 23 A K H <5S+ 0 0 109 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.808 102.8 57.6 -75.1 -32.0 -35.4 -3.8 9.9 23 24 A G T <5S- 0 0 40 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.485 118.1-110.7 -79.5 -3.2 -35.5 -3.1 13.6 24 25 A G T 5S+ 0 0 20 -3,-0.5 -3,-0.2 2,-0.2 20,-0.1 0.705 73.8 138.9 82.1 21.5 -38.6 -0.9 13.1 25 26 A N S -A 38 0A 22 -2,-0.5 3,-2.2 8,-0.2 4,-0.2 -0.500 29.6-137.6 -69.4 86.3 -43.0 7.3 -1.4 31 32 A V G > S+ 0 0 37 -2,-1.8 3,-1.3 6,-0.8 5,-0.1 -0.234 85.8 1.0 -50.2 121.9 -45.9 9.7 -1.1 32 33 A N G 3 S- 0 0 140 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.820 125.1 -73.4 63.5 33.7 -47.9 9.4 -4.3 33 34 A D G < S+ 0 0 35 -3,-2.2 161,-2.3 1,-0.2 -1,-0.3 0.505 92.1 155.9 61.8 2.6 -45.4 6.8 -5.6 34 35 A S B X -E 193 0B 11 -3,-1.3 3,-0.7 -4,-0.2 -1,-0.2 -0.415 40.2-159.5 -67.8 128.0 -43.1 9.8 -6.0 35 36 A L T 3 S+ 0 0 0 157,-2.2 -1,-0.2 1,-0.2 158,-0.1 0.537 95.6 52.2 -80.0 -7.0 -39.4 8.8 -5.9 36 37 A Y T 3 S+ 0 0 30 156,-0.2 36,-2.2 1,-0.2 2,-0.4 0.321 101.9 63.2-110.9 3.7 -38.7 12.5 -5.1 37 38 A D E < - B 0 71A 47 -3,-0.7 -6,-0.8 34,-0.2 2,-0.4 -0.899 65.4-176.1-137.0 105.8 -41.1 12.8 -2.1 38 39 A W E -AB 30 70A 0 32,-2.3 32,-2.5 -2,-0.4 2,-0.7 -0.834 20.0-156.7-107.3 135.9 -40.5 10.6 1.0 39 40 A N E -AB 29 69A 43 -10,-2.3 -10,-1.7 -2,-0.4 2,-0.8 -0.907 19.6-174.9-104.4 101.6 -42.6 10.3 4.1 40 41 A V E -AB 28 68A 0 28,-1.4 28,-2.8 -2,-0.7 2,-0.5 -0.864 2.4-169.1-101.4 107.7 -40.1 9.1 6.7 41 42 A K E -AB 27 67A 35 -14,-0.9 -14,-1.4 -2,-0.8 2,-0.8 -0.845 18.1-137.3 -98.7 128.1 -41.8 8.2 10.0 42 43 A L E +AB 26 66A 5 24,-2.9 24,-1.4 -2,-0.5 -16,-0.3 -0.748 28.4 170.5 -84.1 111.5 -39.6 7.6 13.1 43 44 A L S S+ 0 0 63 -18,-1.2 2,-0.7 -2,-0.8 -17,-0.2 0.888 71.4 41.4 -90.3 -46.6 -41.2 4.6 14.8 44 45 A K 0 0 119 -19,-1.4 -1,-0.3 1,-0.2 7,-0.0 -0.900 360.0 360.0-105.6 106.8 -38.5 3.8 17.4 45 46 A V 0 0 42 -2,-0.7 -1,-0.2 -3,-0.2 84,-0.1 1.000 360.0 360.0 -78.2 360.0 -37.3 7.2 18.8 46 ! 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 47 49 A D 0 0 187 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 1.7 -34.7 6.5 27.0 48 50 A S > - 0 0 33 1,-0.1 4,-1.0 84,-0.0 -3,-0.0 -0.850 360.0-102.9-136.4 171.2 -35.5 10.2 26.5 49 51 A A H > S+ 0 0 39 -2,-0.3 4,-2.1 2,-0.2 3,-0.2 0.883 123.2 49.8 -65.3 -40.1 -38.3 12.6 27.3 50 52 A L H > S+ 0 0 4 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.932 104.0 58.9 -62.2 -45.8 -39.5 12.5 23.7 51 53 A H H > S+ 0 0 75 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.820 108.1 49.5 -50.4 -31.6 -39.5 8.7 23.9 52 54 A N H >X S+ 0 0 84 -4,-1.0 3,-1.4 -3,-0.2 4,-1.2 0.946 104.5 54.0 -72.4 -51.7 -41.9 9.3 26.7 53 55 A D H 3< S+ 0 0 9 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.720 104.3 57.8 -59.2 -22.6 -44.3 11.7 24.9 54 56 A L H >X S+ 0 0 5 -4,-1.7 4,-1.6 2,-0.2 3,-0.8 0.751 97.2 61.1 -80.1 -25.4 -44.7 9.1 22.1 55 57 A Q H S+ 0 0 9 -3,-0.8 4,-1.3 -5,-0.2 -2,-0.2 0.838 92.6 52.7 -92.5 -47.8 -49.2 9.6 21.9 58 60 A K H < S+ 0 0 99 -4,-1.6 573,-0.2 2,-0.1 -2,-0.2 0.893 118.4 37.6 -53.2 -43.7 -50.3 6.3 20.5 59 61 A E H < S+ 0 0 37 -4,-0.7 571,-2.4 571,-0.1 572,-0.6 0.993 119.4 38.9 -75.8 -66.1 -53.2 6.1 23.0 60 62 A K H < S+ 0 0 74 -4,-0.6 2,-0.4 569,-0.2 -3,-0.1 0.919 129.5 8.2 -53.9 -55.3 -54.5 9.7 23.5 61 63 A E S < S- 0 0 56 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 -0.931 110.7 -51.1-141.2 112.1 -54.4 10.9 19.9 62 64 A G S S- 0 0 42 -2,-0.4 569,-0.1 -3,-0.2 2,-0.1 -0.351 88.8 -34.4 71.7-140.6 -53.5 8.9 16.7 63 65 A A - 0 0 45 2,-0.1 2,-0.5 -2,-0.1 -2,-0.2 -0.251 60.4 -95.7-107.6-164.1 -50.5 6.8 16.5 64 66 A D S S+ 0 0 42 -6,-0.1 2,-0.3 -2,-0.1 -10,-0.1 -0.784 73.1 87.7-125.8 88.0 -46.9 6.9 17.8 65 67 A F - 0 0 46 -2,-0.5 2,-0.6 -21,-0.0 -22,-0.2 -0.938 66.7-115.9-171.8 151.1 -44.3 8.3 15.4 66 68 A I E -B 42 0A 2 -24,-1.4 -24,-2.9 -2,-0.3 2,-0.7 -0.875 35.3-144.9 -92.9 118.9 -42.6 11.5 14.2 67 69 A L E -BC 41 87A 20 20,-3.6 19,-3.5 -2,-0.6 20,-1.1 -0.762 18.8-173.1 -93.6 112.9 -43.6 12.0 10.6 68 70 A L E -BC 40 85A 0 -28,-2.8 -28,-1.4 -2,-0.7 2,-0.5 -0.706 12.4-148.9-101.4 154.2 -40.8 13.6 8.5 69 71 A N E -BC 39 84A 10 15,-2.2 15,-1.2 -2,-0.3 2,-0.6 -0.967 6.9-163.4-125.7 117.8 -41.1 14.8 4.8 70 72 A F E -BC 38 83A 0 -32,-2.5 -32,-2.3 -2,-0.5 2,-0.6 -0.872 2.8-168.6-100.3 120.0 -38.1 14.6 2.5 71 73 A S E -BC 37 82A 28 11,-2.4 11,-2.5 -2,-0.6 3,-0.4 -0.939 6.3-177.1-108.6 120.1 -38.2 16.7 -0.7 72 74 A F + 0 0 6 -36,-2.2 4,-0.3 -2,-0.6 -35,-0.1 -0.023 56.9 96.4-107.6 29.7 -35.5 15.9 -3.2 73 75 A K + 0 0 94 -37,-0.2 2,-1.9 1,-0.2 -1,-0.2 0.745 60.1 85.0 -88.8 -25.6 -36.3 18.5 -5.8 74 76 A D S S- 0 0 90 -3,-0.4 5,-0.2 1,-0.2 -1,-0.2 -0.473 120.1 -71.1 -84.1 71.4 -33.8 21.2 -4.7 75 77 A N S >> S- 0 0 107 -2,-1.9 4,-1.7 1,-0.2 3,-1.6 0.646 73.7-154.6 58.4 22.7 -30.7 20.0 -6.5 76 78 A F T 34 S+ 0 0 9 1,-0.3 -1,-0.2 2,-0.3 -4,-0.0 -0.461 73.1 23.1 -63.6 141.6 -30.0 16.9 -4.4 77 79 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.974 126.8 53.1 -87.4 6.8 -27.4 15.6 -3.9 78 80 A F T <4 S+ 0 0 156 -3,-1.6 -2,-0.3 2,-0.1 -3,-0.1 0.935 123.2 28.3 -61.9 -46.7 -25.7 18.9 -4.7 79 81 A D S < S- 0 0 41 -4,-1.7 3,-0.1 -5,-0.2 29,-0.1 -0.812 103.1 -91.6-111.3 156.0 -27.9 20.6 -2.2 80 82 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.150 46.2 -98.4 -60.3 158.3 -29.4 19.1 1.0 81 83 A P - 0 0 4 0, 0.0 2,-0.9 0, 0.0 -9,-0.2 -0.568 38.1-112.4 -73.1 143.2 -32.9 17.4 0.9 82 84 A F E -C 71 0A 14 -11,-2.5 -11,-2.4 -2,-0.2 2,-0.4 -0.707 44.3-175.4 -78.8 109.0 -35.6 19.7 2.2 83 85 A V E +C 70 0A 5 -2,-0.9 18,-0.7 -13,-0.2 2,-0.3 -0.878 8.5 166.0-109.9 139.0 -36.7 18.0 5.4 84 86 A R E -CD 69 100A 36 -15,-1.2 -15,-2.2 -2,-0.4 2,-0.6 -0.968 38.2-108.9-145.3 159.1 -39.6 19.1 7.7 85 87 A V E -C 68 0A 0 14,-3.0 -17,-0.2 -2,-0.3 5,-0.1 -0.824 26.0-179.4 -92.4 120.7 -41.6 17.7 10.5 86 88 A V E + 0 0 32 -19,-3.5 58,-0.2 -2,-0.6 -1,-0.2 0.863 57.5 48.4 -84.0 -40.3 -45.2 16.9 9.5 87 89 A S E S+C 67 0A 14 -20,-1.1 -20,-3.6 1,-0.2 -1,-0.4 -0.946 88.0 17.6-175.1 157.7 -46.3 15.8 12.9 88 90 A P S S- 0 0 11 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.668 76.9-110.6 -81.2 177.0 -46.7 15.9 15.8 89 91 A V - 0 0 10 50,-0.3 47,-2.4 47,-0.3 2,-0.3 -0.487 44.7-162.5 -65.6 134.6 -46.1 19.5 16.8 90 92 A L E -F 135 0C 11 45,-0.3 2,-0.4 -2,-0.2 45,-0.2 -0.881 21.2-144.7-126.4 153.6 -42.9 19.7 18.8 91 93 A S E S-F 134 0C 46 43,-2.9 43,-2.2 -2,-0.3 2,-0.1 -0.958 72.7 -17.8-112.6 135.8 -41.1 22.0 21.2 92 94 A G S > S+ 0 0 43 -2,-0.4 3,-2.1 3,-0.3 41,-0.2 -0.397 74.8 120.2 70.6-148.5 -37.3 22.2 21.0 93 95 A G T 3 S- 0 0 1 38,-2.2 39,-0.1 1,-0.3 -1,-0.1 0.697 109.7 -73.9 60.2 18.5 -35.4 19.4 19.3 94 96 A Y T 3 S+ 0 0 110 37,-0.3 8,-3.5 1,-0.3 2,-0.5 0.700 91.5 151.9 67.7 20.5 -34.1 22.2 17.0 95 97 A V B < -G 101 0D 22 -3,-2.1 -3,-0.3 6,-0.2 -1,-0.3 -0.726 31.7-150.9 -85.5 127.6 -37.5 22.3 15.3 96 98 A L > - 0 0 49 4,-3.7 3,-2.1 -2,-0.5 2,-0.2 -0.426 38.3 -66.0 -92.3 169.8 -38.3 25.8 13.8 97 99 A G T 3 S+ 0 0 35 1,-0.3 3,-0.2 2,-0.2 55,-0.2 -0.367 124.3 20.6 -58.9 119.1 -41.8 27.4 13.3 98 100 A G T 3 S- 0 0 0 -2,-0.2 47,-0.5 1,-0.1 51,-0.4 0.082 130.6 -69.8 109.4 -22.1 -43.7 25.4 10.8 99 101 A G S < S+ 0 0 0 -3,-2.1 -14,-3.0 1,-0.3 -2,-0.2 0.389 87.2 139.2 118.5 -0.4 -41.7 22.1 11.1 100 102 A A B -D 84 0A 0 -3,-0.2 -4,-3.7 -16,-0.2 2,-0.5 -0.337 48.6-124.5 -69.6 157.9 -38.4 23.1 9.5 101 103 A I B -G 95 0D 5 -18,-0.7 2,-1.9 -6,-0.2 -6,-0.2 -0.921 4.8-147.9-114.5 126.2 -35.2 21.8 11.2 102 104 A C + 0 0 56 -8,-3.5 2,-0.3 -2,-0.5 -7,-0.1 -0.511 51.0 147.7 -83.9 68.9 -32.3 24.0 12.5 103 105 A M - 0 0 10 -2,-1.9 3,-0.2 1,-0.1 7,-0.1 -0.816 52.2-132.5-113.8 148.0 -29.8 21.2 11.7 104 106 A E S > S+ 0 0 162 -2,-0.3 3,-2.2 1,-0.2 5,-0.4 0.982 102.9 45.8 -59.8 -66.6 -26.2 21.4 10.6 105 107 A L T 3 S+ 0 0 4 1,-0.3 -1,-0.2 5,-0.2 5,-0.2 0.691 102.0 69.3 -56.0 -20.5 -26.0 18.9 7.7 106 108 A L T 3 S+ 0 0 7 -3,-0.2 -1,-0.3 -26,-0.1 2,-0.2 0.337 89.3 85.3 -81.4 9.2 -29.3 20.4 6.3 107 109 A T S X> S- 0 0 39 -3,-2.2 3,-1.3 -28,-0.1 4,-1.0 -0.672 91.9-113.3-106.5 163.3 -27.4 23.6 5.4 108 110 A K T 34 S+ 0 0 163 1,-0.2 -3,-0.1 -2,-0.2 -2,-0.1 0.090 117.8 50.4 -80.4 25.0 -25.3 24.4 2.4 109 111 A Q T 34 S+ 0 0 185 -5,-0.4 -1,-0.2 3,-0.0 -4,-0.1 0.253 115.7 35.2-141.3 5.4 -22.3 24.5 4.7 110 112 A G T <4 S+ 0 0 25 -3,-1.3 2,-0.3 -6,-0.3 -2,-0.2 0.331 93.0 100.6-140.4 -0.5 -22.6 21.1 6.5 111 113 A W < - 0 0 32 -4,-1.0 2,-0.4 -7,-0.2 -5,-0.1 -0.657 46.8-169.0 -94.0 147.7 -24.1 18.9 3.8 112 114 A S > - 0 0 49 -2,-0.3 3,-1.3 -7,-0.1 -34,-0.1 -0.999 30.2-135.2-138.5 135.0 -22.1 16.3 1.7 113 115 A S T 3 S+ 0 0 63 -2,-0.4 -35,-0.1 1,-0.3 -1,-0.1 0.659 108.9 62.6 -59.2 -14.1 -23.1 14.4 -1.3 114 116 A A T 3 S+ 0 0 78 2,-0.1 -1,-0.3 -37,-0.0 -3,-0.0 0.827 79.1 101.6 -80.6 -34.7 -21.4 11.5 0.5 115 117 A Y S < S- 0 0 91 -3,-1.3 2,-0.2 1,-0.1 -4,-0.0 -0.181 71.4-130.6 -50.6 139.7 -23.9 11.5 3.4 116 118 A S > - 0 0 43 1,-0.1 4,-2.3 -105,-0.0 3,-0.4 -0.643 10.2-130.7 -93.2 152.5 -26.5 8.8 3.2 117 119 A I H > S+ 0 0 0 -2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.779 112.8 63.4 -68.4 -25.0 -30.3 9.4 3.6 118 120 A E H > S+ 0 0 34 1,-0.2 4,-0.9 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> S+ 0 0 113 1,-0.2 4,-0.8 -50,-0.2 -1,-0.2 0.752 114.4 53.4 -67.9 -24.1 -44.7 27.5 7.3 149 151 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 -51,-0.4 -1,-0.2 0.863 107.3 49.8 -78.9 -38.0 -41.5 25.3 6.9 150 152 A Q H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.982 112.8 42.4 -65.4 -60.6 -40.2 27.1 3.8 151 153 A Q H X S+ 0 0 77 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.810 116.7 52.1 -58.8 -30.9 -40.5 30.7 4.9 152 154 A S H X S+ 0 0 29 -4,-0.8 4,-1.9 -5,-0.3 -2,-0.2 0.980 111.9 42.5 -67.3 -58.7 -39.1 29.6 8.3 153 155 A Y H X S+ 0 0 48 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.816 110.3 63.7 -55.1 -30.6 -36.1 27.8 6.8 154 156 A K H >< S+ 0 0 114 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.981 103.5 42.5 -58.0 -60.3 -35.8 30.8 4.5 155 157 A S H 3< S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 106.0 66.6 -56.0 -36.4 -35.1 33.3 7.3 156 158 A L H 3< 0 0 72 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 360.0 360.0 -50.1 -48.9 -32.7 30.7 8.8 157 159 A V << 0 0 131 -4,-1.6 -2,-0.2 -3,-0.7 -1,-0.2 0.976 360.0 360.0 -69.2 360.0 -30.4 31.1 5.8 158 !* 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 0.0 159 1 B G 0 0 74 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 51.7 -47.2 0.8 -2.9 160 2 B S > - 0 0 55 1,-0.1 4,-2.3 -131,-0.0 5,-0.4 -0.998 360.0-125.4-136.2 136.4 -45.5 -2.0 -1.1 161 3 B V H > S+ 0 0 51 -2,-0.4 4,-1.6 1,-0.3 5,-0.2 0.826 114.2 54.9 -44.2 -37.7 -41.9 -2.4 0.0 162 4 B Q H > S+ 0 0 135 2,-0.2 4,-1.7 3,-0.1 -1,-0.3 0.967 114.4 36.6 -61.4 -55.5 -41.8 -5.6 -2.0 163 5 B A H > S+ 0 0 13 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.967 117.0 48.6 -65.0 -57.5 -42.9 -4.0 -5.3 164 6 B T H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.846 110.9 52.5 -55.7 -37.5 -41.1 -0.7 -5.0 165 7 B D H X S+ 0 0 40 -4,-1.6 4,-1.6 -5,-0.4 -1,-0.2 0.938 111.5 46.9 -61.0 -47.0 -37.9 -2.4 -4.1 166 8 B R H X S+ 0 0 51 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.887 111.8 49.8 -62.0 -43.2 -38.2 -4.6 -7.2 167 9 B L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 107.9 53.1 -64.9 -40.4 -39.1 -1.7 -9.5 168 10 B M H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.840 110.0 49.9 -64.7 -33.1 -36.0 0.2 -8.3 169 11 B K H X S+ 0 0 68 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.967 110.3 48.6 -65.0 -54.5 -33.9 -2.8 -9.1 170 12 B E H X S+ 0 0 3 -4,-2.5 4,-1.7 1,-0.2 108,-0.2 0.830 114.3 46.5 -56.1 -36.5 -35.4 -3.1 -12.6 171 13 B L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.925 111.9 47.8 -76.0 -45.9 -34.9 0.6 -13.3 172 14 B R H X S+ 0 0 46 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.835 109.9 56.4 -63.2 -31.7 -31.3 0.8 -12.0 173 15 B D H >< S+ 0 0 61 -4,-2.4 3,-1.2 1,-0.2 4,-0.5 0.939 106.7 48.2 -61.3 -48.7 -30.6 -2.3 -14.1 174 16 B I H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.3 6,-0.2 0.893 103.1 62.8 -57.2 -41.5 -31.8 -0.5 -17.2 175 17 B Y H 3< S+ 0 0 18 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.698 115.2 31.8 -60.2 -19.9 -29.6 2.5 -16.3 176 18 B R T << S+ 0 0 115 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.275 93.4 114.0-122.1 7.7 -26.6 0.2 -16.7 177 19 B S S <> S- 0 0 12 -3,-1.3 4,-2.4 -4,-0.5 5,-0.2 -0.494 71.3-125.6 -76.8 151.8 -27.8 -2.1 -19.4 178 20 B Q H > S+ 0 0 154 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.868 107.3 55.0 -67.9 -36.9 -26.0 -2.0 -22.7 179 21 B S H >>S+ 0 0 18 2,-0.2 5,-1.7 1,-0.2 4,-0.7 0.951 114.2 38.7 -61.5 -52.1 -29.3 -1.5 -24.7 180 22 B F H >45S+ 0 0 36 -6,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.911 114.9 53.9 -63.8 -44.2 -30.3 1.6 -22.7 181 23 B K H 3<5S+ 0 0 125 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.781 103.1 59.4 -61.7 -26.7 -26.7 2.8 -22.5 182 24 B G H 3<5S- 0 0 38 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.747 117.7-113.6 -73.0 -24.5 -26.6 2.6 -26.3 183 25 B G T <<5S+ 0 0 29 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.694 75.1 132.6 96.2 23.8 -29.5 5.0 -26.6 184 26 B N S -H 197 0E 26 -2,-0.5 3,-1.5 8,-0.2 2,-0.4 -0.606 27.9-130.4 -69.9 114.8 -41.0 8.5 -14.6 190 32 B V G > S- 0 0 15 6,-1.9 3,-1.6 -2,-0.6 5,-0.2 -0.568 88.3 -6.9 -72.4 121.3 -44.4 10.2 -15.2 191 33 B N G 3 S- 0 0 41 -2,-0.4 -1,-0.3 1,-0.3 3,-0.1 0.861 123.7 -70.2 59.1 37.6 -45.0 12.6 -12.4 192 34 B D G < S+ 0 0 20 -3,-1.5 -157,-2.2 1,-0.2 -1,-0.3 0.486 93.1 156.6 61.8 1.2 -42.0 11.2 -10.6 193 35 B S B < -E 34 0B 13 -3,-1.6 3,-0.5 -159,-0.2 -159,-0.2 -0.364 38.5-158.7 -63.5 131.1 -44.0 8.1 -10.1 194 36 B L S S+ 0 0 0 -161,-2.3 -1,-0.2 1,-0.2 -160,-0.1 0.533 93.4 53.1 -85.3 -7.1 -41.9 5.0 -9.6 195 37 B Y S S+ 0 0 6 1,-0.2 37,-2.4 -5,-0.2 38,-0.7 0.359 102.7 61.1-108.5 1.4 -44.9 2.9 -10.7 196 38 B D E - I 0 231E 39 -3,-0.5 -6,-1.9 35,-0.2 2,-0.4 -0.931 65.8-173.8-137.8 111.2 -45.6 4.6 -14.0 197 39 B W E -HI 189 230E 0 33,-3.0 33,-2.6 -2,-0.4 2,-0.6 -0.826 19.0-154.7-109.8 140.4 -43.0 4.7 -16.7 198 40 B N E -HI 188 229E 35 -10,-2.5 -10,-2.1 -2,-0.4 2,-0.7 -0.944 19.2-169.3-107.7 108.6 -42.9 6.5 -20.1 199 41 B V E -HI 187 228E 0 29,-1.8 29,-3.0 -2,-0.6 2,-0.7 -0.871 5.4-160.1-104.4 110.7 -40.6 4.5 -22.4 200 42 B K E -HI 186 227E 47 -14,-2.0 -14,-1.8 -2,-0.7 2,-1.0 -0.803 11.6-144.3 -91.6 115.9 -39.6 6.2 -25.6 201 43 B L E +HI 185 226E 3 25,-3.3 25,-1.9 -2,-0.7 -16,-0.2 -0.702 29.6 167.0 -78.2 102.8 -38.4 3.8 -28.3 202 44 B L + 0 0 65 -18,-2.0 2,-0.5 -2,-1.0 -17,-0.2 0.835 58.6 46.6 -89.2 -37.5 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