==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-AUG-08 3E46 . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME E2-25 KDA; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.C.HUGHES,R.C.WILSON,J.W.FLATT,E.J.MEEHAN,J.D.NG,P.D.TWIGG . 202 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 68.3 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 . 25 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.0 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 . 1 0.5 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 . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 37.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.5 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 1 2 0 1 1 0 0 2 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 . 3 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 F 0 0 134 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -81.5 -18.6 -30.9 22.2 2 0 A D - 0 0 123 36,-0.0 2,-0.2 37,-0.0 3,-0.1 -0.891 360.0-134.2-133.7 148.4 -20.1 -33.3 19.8 3 1 A M - 0 0 13 -2,-0.3 63,-0.1 34,-0.3 64,-0.1 -0.472 48.9 -72.4 -89.7 171.1 -23.4 -34.0 18.0 4 2 A A > - 0 0 51 62,-0.3 4,-2.5 -2,-0.2 3,-0.4 -0.250 46.3-113.2 -62.1 147.9 -25.2 -37.4 17.8 5 3 A N H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.855 115.1 55.7 -52.6 -40.6 -23.6 -39.9 15.4 6 4 A I H > S+ 0 0 87 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 111.7 44.9 -65.4 -37.5 -26.5 -39.8 12.9 7 5 A A H > S+ 0 0 0 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.934 113.9 49.2 -68.2 -49.7 -26.1 -36.0 12.6 8 6 A V H X S+ 0 0 15 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.929 113.5 45.1 -54.9 -50.5 -22.3 -36.1 12.3 9 7 A Q H X S+ 0 0 66 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.877 112.5 51.3 -67.2 -41.7 -22.3 -38.8 9.7 10 8 A R H X S+ 0 0 40 -4,-1.9 4,-2.7 -5,-0.3 -1,-0.2 0.931 112.9 45.3 -58.5 -48.8 -25.0 -37.1 7.6 11 9 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.929 113.1 50.2 -64.4 -43.4 -23.2 -33.7 7.6 12 10 A K H X S+ 0 0 69 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.927 113.6 45.8 -59.9 -45.7 -19.9 -35.3 6.8 13 11 A R H X S+ 0 0 139 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 115.5 45.7 -61.1 -45.4 -21.5 -37.2 3.9 14 12 A E H X S+ 0 0 2 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.832 110.0 54.3 -70.8 -34.0 -23.4 -34.1 2.6 15 13 A F H X S+ 0 0 39 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.946 110.8 45.9 -61.9 -47.4 -20.3 -31.9 2.9 16 14 A K H X S+ 0 0 103 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.907 109.0 56.8 -63.0 -40.2 -18.3 -34.3 0.8 17 15 A E H X S+ 0 0 66 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.885 108.5 45.1 -58.5 -44.0 -21.2 -34.6 -1.6 18 16 A V H >< S+ 0 0 1 -4,-1.8 3,-1.5 2,-0.2 6,-0.4 0.959 110.9 54.9 -64.5 -47.0 -21.2 -30.8 -2.2 19 17 A L H 3< S+ 0 0 105 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.849 116.0 38.0 -53.4 -41.2 -17.3 -30.8 -2.5 20 18 A K H 3< S+ 0 0 172 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.440 92.9 118.6 -87.8 -4.3 -17.4 -33.4 -5.3 21 19 A S S+ 0 0 154 1,-0.2 4,-2.3 2,-0.2 6,-0.2 0.843 110.0 62.2 -60.5 -34.6 -20.7 -30.9 -10.7 23 21 A E H 4>S+ 0 0 45 1,-0.2 5,-3.0 2,-0.2 6,-0.7 0.892 105.0 43.5 -63.3 -40.5 -22.5 -27.8 -9.3 24 22 A T H >45S+ 0 0 28 -6,-0.4 3,-1.5 3,-0.2 -1,-0.2 0.845 110.7 54.9 -73.0 -32.7 -19.5 -26.8 -7.2 25 23 A S H 3<5S+ 0 0 92 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.885 109.0 49.1 -66.3 -34.4 -17.1 -27.5 -10.1 26 24 A K T 3<5S- 0 0 90 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.213 118.5-116.6 -82.1 12.4 -19.2 -25.1 -12.2 27 25 A N T < 5S+ 0 0 106 -3,-1.5 -3,-0.2 2,-0.2 -2,-0.1 0.767 81.0 122.5 56.2 30.6 -19.1 -22.6 -9.3 28 26 A Q S S- 0 0 60 5,-2.0 3,-2.6 1,-0.1 -1,-0.3 -0.912 72.0-138.9-113.4 129.8 -17.2 -25.1 13.1 36 34 A E T 3 S+ 0 0 91 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.757 105.3 54.7 -52.3 -33.2 -15.1 -28.2 13.6 37 35 A N T 3 S- 0 0 34 -35,-0.0 -1,-0.3 1,-0.0 -34,-0.3 0.279 112.4-118.5 -88.9 9.3 -18.1 -30.1 15.1 38 36 A F S < S+ 0 0 36 -3,-2.6 -2,-0.1 2,-0.2 26,-0.1 0.586 79.7 120.1 72.6 15.7 -20.3 -29.4 12.0 39 37 A T S S+ 0 0 39 1,-0.2 25,-2.3 24,-0.1 2,-0.4 0.664 76.0 38.5 -86.1 -17.4 -23.0 -27.3 13.8 40 38 A E E + B 0 63A 56 -5,-0.3 -5,-2.0 23,-0.2 -6,-1.7 -0.992 65.5 168.0-137.1 135.0 -22.4 -24.2 11.6 41 39 A L E -AB 33 62A 0 21,-3.0 21,-2.7 -2,-0.4 2,-0.5 -0.871 26.4-133.9-134.4 161.1 -21.5 -23.9 8.0 42 40 A R E -AB 32 61A 83 -10,-2.5 -10,-2.5 -2,-0.3 2,-0.2 -0.991 23.6-163.7-119.7 127.7 -21.4 -21.1 5.5 43 41 A G E -AB 31 60A 2 17,-2.7 17,-2.5 -2,-0.5 2,-0.3 -0.679 6.2-163.7-101.8 162.5 -22.9 -21.6 2.1 44 42 A E E -AB 30 59A 23 -14,-2.1 -14,-2.0 -2,-0.2 2,-0.3 -0.981 6.0-176.1-142.5 138.0 -22.6 -19.8 -1.2 45 43 A I E -AB 29 58A 0 13,-1.9 13,-2.8 -2,-0.3 2,-0.3 -0.978 23.5-125.0-127.9 148.2 -24.8 -19.8 -4.3 46 44 A A E - B 0 57A 9 -18,-2.5 11,-0.2 -2,-0.3 8,-0.1 -0.686 36.1-106.9 -83.5 138.8 -24.5 -18.2 -7.7 47 45 A G - 0 0 7 9,-2.6 8,-0.5 6,-0.4 -1,-0.1 -0.388 44.9-105.4 -58.4 140.8 -27.4 -16.0 -8.8 48 46 A P > - 0 0 11 0, 0.0 3,-0.7 0, 0.0 6,-0.3 -0.428 38.2 -96.8 -74.1 153.1 -29.3 -17.9 -11.5 49 47 A P T 3 S+ 0 0 75 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.224 103.5 22.9 -66.7 152.5 -28.9 -16.8 -15.2 50 48 A D T 3 S+ 0 0 150 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.832 103.5 101.9 57.6 37.0 -31.5 -14.5 -16.8 51 49 A T S X S- 0 0 28 -3,-0.7 3,-1.7 -4,-0.0 -1,-0.2 -0.915 90.1-103.7-133.0 167.4 -32.6 -13.1 -13.4 52 50 A P T 3 S+ 0 0 25 0, 0.0 99,-0.2 0, 0.0 -5,-0.1 0.710 120.4 60.4 -61.6 -16.8 -31.7 -9.8 -11.7 53 51 A Y T > S+ 0 0 5 -5,-0.2 3,-2.1 66,-0.2 -6,-0.4 0.512 73.0 127.6 -90.5 -7.3 -29.4 -11.9 -9.5 54 52 A E T < S+ 0 0 94 -3,-1.7 3,-0.1 -6,-0.3 -8,-0.0 -0.208 74.4 22.3 -54.3 135.6 -27.1 -13.1 -12.4 55 53 A G T 3 S+ 0 0 48 -8,-0.5 -1,-0.3 1,-0.3 2,-0.2 0.278 101.9 112.1 88.8 -13.1 -23.4 -12.4 -11.7 56 54 A G < - 0 0 2 -3,-2.1 -9,-2.6 -8,-0.1 2,-0.4 -0.554 55.4-149.2 -90.9 157.4 -24.0 -12.2 -7.9 57 55 A R E -B 46 0A 77 98,-2.0 2,-0.5 -11,-0.2 -11,-0.2 -1.000 12.5-156.0-124.6 131.0 -22.7 -14.6 -5.2 58 56 A Y E -B 45 0A 0 -13,-2.8 -13,-1.9 -2,-0.4 2,-0.3 -0.936 3.5-148.7-116.5 118.0 -24.8 -15.0 -2.1 59 57 A Q E -B 44 0A 69 -2,-0.5 19,-2.0 -15,-0.2 20,-1.6 -0.635 14.7-161.5 -87.4 145.2 -23.4 -16.1 1.2 60 58 A L E -BC 43 77A 0 -17,-2.5 -17,-2.7 -2,-0.3 2,-0.5 -0.972 16.9-138.0-131.7 136.4 -25.6 -18.1 3.6 61 59 A E E -BC 42 76A 44 15,-2.8 15,-1.8 -2,-0.4 2,-0.5 -0.835 25.7-167.8 -92.4 123.5 -25.4 -18.9 7.3 62 60 A I E -BC 41 75A 4 -21,-2.7 -21,-3.0 -2,-0.5 2,-0.5 -0.979 7.9-173.2-120.8 116.5 -26.3 -22.5 7.9 63 61 A K E -BC 40 74A 101 11,-2.9 11,-3.0 -2,-0.5 -23,-0.2 -0.968 14.2-147.7-111.0 127.5 -27.0 -23.9 11.3 64 62 A I - 0 0 10 -25,-2.3 2,-0.1 -2,-0.5 -2,-0.0 -0.761 17.1-134.3 -96.7 122.2 -27.4 -27.6 11.7 65 63 A P > - 0 0 32 0, 0.0 3,-1.8 0, 0.0 6,-0.1 -0.425 19.6-115.5 -75.9 160.7 -29.9 -28.6 14.5 66 64 A E T 3 S+ 0 0 133 1,-0.3 -62,-0.3 -2,-0.1 -59,-0.2 0.713 115.7 60.2 -59.9 -25.0 -29.1 -31.4 17.0 67 65 A T T > S+ 0 0 69 5,-0.1 3,-2.4 2,-0.1 4,-0.3 0.230 87.6 170.7 -89.3 8.7 -32.0 -33.3 15.5 68 66 A Y T < + 0 0 1 -3,-1.8 -58,-0.1 1,-0.3 -57,-0.1 -0.440 57.5 26.3 -62.6 140.4 -30.5 -33.5 12.0 69 67 A P T 3 S+ 0 0 3 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.924 119.9 58.3 -92.9 19.0 -31.6 -35.1 9.6 70 68 A F S < S+ 0 0 131 -3,-2.4 -2,-0.2 -5,-0.1 34,-0.1 0.608 110.6 40.0 -91.6 -10.4 -35.1 -35.0 10.9 71 69 A N S S- 0 0 77 -4,-0.3 32,-0.1 -6,-0.1 27,-0.0 -0.969 93.8-102.5-129.5 154.0 -35.4 -31.3 11.1 72 70 A P - 0 0 23 0, 0.0 -5,-0.1 0, 0.0 26,-0.1 -0.232 35.2-100.7 -69.4 159.3 -34.1 -28.8 8.5 73 71 A P - 0 0 3 0, 0.0 2,-0.7 0, 0.0 -9,-0.2 -0.399 36.7-116.5 -64.4 151.1 -31.0 -26.6 8.7 74 72 A K E -C 63 0A 106 -11,-3.0 -11,-2.9 -2,-0.1 2,-0.4 -0.907 41.1-173.4 -90.5 121.2 -31.7 -23.1 9.8 75 73 A V E +C 62 0A 18 -2,-0.7 18,-0.6 -13,-0.2 2,-0.3 -0.941 13.3 170.6-123.8 137.5 -30.6 -20.9 6.8 76 74 A R E -CD 61 92A 81 -15,-1.8 -15,-2.8 -2,-0.4 2,-0.5 -0.993 36.4-112.4-141.4 141.2 -30.3 -17.2 6.5 77 75 A F E -C 60 0A 3 14,-2.5 -17,-0.3 -2,-0.3 4,-0.1 -0.677 23.5-176.4 -72.5 121.0 -28.8 -14.9 3.8 78 76 A I S S+ 0 0 55 -19,-2.0 2,-0.3 -2,-0.5 -18,-0.2 0.882 72.3 74.0 -76.6 -46.9 -25.8 -13.1 5.0 79 77 A T S S- 0 0 18 -20,-1.6 76,-0.1 -3,-0.1 75,-0.1 -0.518 97.9-113.5 -67.3 126.4 -25.5 -11.3 1.7 80 78 A K - 0 0 61 -2,-0.3 2,-0.3 74,-0.1 74,-0.1 -0.331 43.1-179.6 -63.2 142.2 -28.2 -8.7 1.5 81 79 A I - 0 0 1 6,-0.3 2,-0.7 -4,-0.1 10,-0.1 -0.998 31.3-137.3-149.8 147.6 -30.8 -9.4 -1.2 82 80 A W + 0 0 0 -2,-0.3 5,-0.1 65,-0.2 69,-0.1 -0.900 53.0 125.2-109.0 102.2 -34.0 -7.9 -2.7 83 81 A H B > -E 86 0B 1 -2,-0.7 3,-1.7 3,-0.6 50,-0.2 -0.965 64.1-121.4-161.3 136.1 -36.5 -10.7 -3.2 84 82 A P T 3 S+ 0 0 0 0, 0.0 44,-2.8 0, 0.0 45,-2.4 0.765 111.7 47.2 -56.1 -31.5 -40.1 -11.2 -2.0 85 83 A N T 3 S+ 0 0 3 42,-0.3 9,-3.3 43,-0.2 2,-0.4 0.254 106.8 64.5 -98.1 12.0 -39.4 -14.5 -0.1 86 84 A I B < S-EF 83 93B 0 -3,-1.7 -3,-0.6 7,-0.2 2,-0.4 -0.999 88.7-112.3-133.5 135.7 -36.3 -13.2 1.7 87 85 A S > - 0 0 17 5,-2.5 4,-1.7 -2,-0.4 -6,-0.3 -0.509 13.9-152.8 -71.6 124.4 -36.1 -10.4 4.3 88 86 A S T 4 S+ 0 0 12 -2,-0.4 -1,-0.2 1,-0.2 41,-0.0 0.655 97.1 43.3 -67.2 -13.4 -34.3 -7.4 2.9 89 87 A V T 4 S+ 0 0 108 3,-0.1 -1,-0.2 -9,-0.1 -2,-0.0 0.881 130.3 13.5 -98.1 -49.0 -33.5 -6.7 6.6 90 88 A T T 4 S- 0 0 71 2,-0.1 -2,-0.1 -10,-0.0 3,-0.1 0.565 89.0-120.8-106.9 -14.2 -32.5 -10.0 8.2 91 89 A G < + 0 0 5 -4,-1.7 -14,-2.5 1,-0.2 -3,-0.1 0.551 55.3 159.6 77.7 8.1 -31.9 -12.4 5.3 92 90 A A B -D 76 0A 33 -16,-0.2 -5,-2.5 -6,-0.1 2,-0.4 -0.380 31.3-136.6 -65.0 144.0 -34.6 -14.7 6.8 93 91 A I B -F 86 0B 18 -18,-0.6 2,-0.9 -7,-0.2 -7,-0.2 -0.863 14.1-154.3-116.2 134.3 -36.0 -17.1 4.2 94 92 A C + 0 0 8 -9,-3.3 2,-0.3 -2,-0.4 34,-0.1 -0.856 43.3 134.5-102.5 96.0 -39.5 -18.1 3.4 95 93 A L > - 0 0 27 -2,-0.9 3,-1.8 1,-0.1 4,-0.3 -0.972 54.8-133.1-148.6 133.3 -39.2 -21.6 1.7 96 94 A D G > >S+ 0 0 81 -2,-0.3 5,-2.8 1,-0.3 3,-2.0 0.851 103.7 59.7 -59.2 -37.8 -41.4 -24.7 2.5 97 95 A I G 3 5S+ 0 0 17 1,-0.3 -1,-0.3 4,-0.2 6,-0.1 0.714 106.7 48.7 -64.0 -20.2 -38.4 -27.1 2.8 98 96 A L G < 5S+ 0 0 27 -3,-1.8 -1,-0.3 -26,-0.1 -2,-0.2 0.453 125.2 28.2 -91.1 -2.0 -37.0 -25.0 5.6 99 97 A K T < 5S- 0 0 108 -3,-2.0 3,-0.4 -4,-0.3 -3,-0.1 0.496 135.0 -16.4-123.3 -99.9 -40.4 -24.9 7.4 100 98 A D T 5S+ 0 0 114 1,-0.2 -3,-0.2 3,-0.0 -4,-0.1 0.520 124.0 60.5-100.7 -13.7 -43.0 -27.7 7.0 101 99 A Q < + 0 0 103 -5,-2.8 -4,-0.2 -6,-0.1 -1,-0.2 0.181 66.2 131.8-104.7 19.2 -41.8 -29.6 3.9 102 100 A W - 0 0 29 -6,-0.4 2,-0.4 -3,-0.4 -4,-0.1 -0.421 36.3-167.3 -60.5 141.5 -38.4 -30.7 5.1 103 101 A A > - 0 0 46 -6,-0.1 3,-2.3 -2,-0.1 -32,-0.1 -0.993 29.4-123.8-129.2 145.8 -37.8 -34.4 4.5 104 102 A A T 3 S+ 0 0 38 -2,-0.4 -33,-0.1 1,-0.3 -1,-0.0 0.722 107.5 65.6 -62.8 -22.0 -35.0 -36.4 5.9 105 103 A A T 3 S+ 0 0 91 -35,-0.1 -1,-0.3 2,-0.0 -35,-0.1 0.618 82.3 101.9 -73.3 -11.4 -33.7 -37.5 2.4 106 104 A M < - 0 0 47 -3,-2.3 2,-0.3 -37,-0.2 3,-0.0 -0.322 57.0-163.0 -72.1 160.7 -32.9 -33.8 1.6 107 105 A T > - 0 0 18 1,-0.1 4,-2.2 -93,-0.0 5,-0.2 -0.837 37.9 -96.2-138.6 170.0 -29.2 -32.7 1.8 108 106 A L H > S+ 0 0 5 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.930 124.1 53.7 -52.8 -44.7 -27.1 -29.6 2.0 109 107 A R H > S+ 0 0 60 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.931 108.9 45.9 -57.8 -48.3 -26.7 -29.8 -1.8 110 108 A T H > S+ 0 0 43 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 111.1 53.0 -73.4 -27.6 -30.4 -29.9 -2.4 111 109 A V H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.951 110.8 47.3 -65.3 -45.9 -31.1 -27.0 -0.0 112 110 A L H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.934 114.2 47.4 -63.8 -42.5 -28.4 -24.9 -1.8 113 111 A L H X S+ 0 0 37 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.877 110.2 52.3 -68.5 -34.2 -29.9 -25.8 -5.2 114 112 A S H X S+ 0 0 43 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.852 107.1 53.0 -68.7 -34.3 -33.5 -25.1 -4.0 115 113 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.935 108.8 49.2 -68.5 -41.2 -32.4 -21.6 -2.8 116 114 A Q H X S+ 0 0 23 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.930 110.7 50.9 -61.2 -41.2 -31.0 -20.8 -6.2 117 115 A A H X S+ 0 0 57 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.871 105.6 56.1 -64.2 -37.6 -34.2 -22.0 -7.8 118 116 A L H >< S+ 0 0 15 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.903 103.0 55.0 -59.9 -40.0 -36.2 -19.7 -5.4 119 117 A L H 3< S+ 0 0 7 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.840 110.9 45.9 -58.3 -34.2 -34.1 -16.7 -6.7 120 118 A A H 3< S+ 0 0 57 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.555 122.8 35.1 -88.4 -8.3 -35.3 -17.7 -10.2 121 119 A A S << S- 0 0 61 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.1 -0.593 74.0-169.9-149.6 81.6 -38.9 -18.2 -9.2 122 120 A A - 0 0 18 -3,-0.3 -3,-0.1 -2,-0.1 -4,-0.0 -0.325 14.6-149.0 -69.4 151.3 -40.3 -15.8 -6.5 123 121 A E > + 0 0 69 3,-0.1 3,-1.3 1,-0.1 10,-0.1 -0.810 19.5 175.9-119.0 87.4 -43.7 -16.5 -4.8 124 122 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 13,-0.1 0.640 71.6 65.6 -72.4 -14.9 -45.0 -13.0 -4.0 125 123 A D T 3 S+ 0 0 132 1,-0.3 -2,-0.0 12,-0.0 8,-0.0 0.580 110.1 37.9 -87.6 -6.1 -48.4 -14.0 -2.7 126 124 A D S < S+ 0 0 107 -3,-1.3 -1,-0.3 -32,-0.1 -3,-0.1 -0.573 95.8 171.9-130.6 72.3 -46.8 -15.8 0.2 127 125 A P - 0 0 49 0, 0.0 -42,-0.3 0, 0.0 3,-0.2 -0.301 44.3-158.0 -91.9 164.4 -44.0 -13.4 1.0 128 126 A Q S S+ 0 0 78 -44,-2.8 2,-0.5 1,-0.2 -43,-0.2 0.681 94.8 41.7 -95.4 -33.0 -41.3 -12.9 3.6 129 127 A D > - 0 0 19 -45,-2.4 4,-2.6 1,-0.1 -1,-0.2 -0.911 66.8-166.5-123.0 101.5 -40.9 -9.1 2.8 130 128 A A H > S+ 0 0 61 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.876 87.8 52.6 -56.3 -42.4 -44.2 -7.3 2.2 131 129 A V H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.941 113.2 43.0 -61.3 -49.1 -42.6 -4.2 0.7 132 130 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.921 113.8 51.2 -64.8 -43.3 -40.6 -6.2 -1.8 133 131 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -49,-0.3 -2,-0.2 0.905 110.1 50.5 -60.1 -43.2 -43.6 -8.4 -2.7 134 132 A N H X S+ 0 0 72 -4,-2.8 4,-3.4 -5,-0.2 5,-0.3 0.945 112.3 46.2 -60.3 -47.5 -45.8 -5.4 -3.2 135 133 A Q H X S+ 0 0 21 -4,-2.2 4,-2.9 1,-0.2 8,-0.4 0.909 110.3 53.9 -60.4 -45.4 -43.2 -3.8 -5.5 136 134 A Y H < S+ 0 0 82 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.2 37.8 -53.9 -44.7 -42.7 -7.1 -7.4 137 135 A K H < S+ 0 0 89 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.943 123.9 37.7 -74.5 -47.5 -46.5 -7.2 -8.0 138 136 A Q H < S+ 0 0 144 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.756 131.2 19.5 -83.8 -25.0 -47.2 -3.6 -8.7 139 137 A N X + 0 0 72 -4,-2.9 4,-2.6 -5,-0.3 3,-0.5 -0.523 62.2 175.8-149.0 74.2 -44.1 -2.5 -10.6 140 138 A P H > S+ 0 0 83 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.820 83.1 50.3 -43.2 -47.2 -42.2 -5.5 -12.2 141 139 A E H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.872 111.1 47.7 -69.0 -38.4 -39.6 -3.3 -13.9 142 140 A M H > S+ 0 0 30 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.890 111.3 52.8 -66.6 -38.7 -38.8 -1.3 -10.8 143 141 A F H X S+ 0 0 13 -4,-2.6 4,-3.1 -8,-0.4 5,-0.3 0.960 109.0 48.9 -58.9 -49.1 -38.5 -4.6 -8.9 144 142 A K H X S+ 0 0 97 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.902 113.9 45.4 -58.6 -43.6 -36.0 -5.9 -11.5 145 143 A Q H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 16,-0.3 0.886 113.5 49.2 -69.6 -39.1 -33.9 -2.8 -11.4 146 144 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.967 112.6 48.0 -64.4 -49.6 -33.9 -2.7 -7.6 147 145 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -65,-0.2 0.896 112.7 49.0 -58.0 -43.2 -33.0 -6.4 -7.3 148 146 A R H X S+ 0 0 66 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.903 108.8 52.9 -63.6 -42.4 -30.2 -5.9 -9.9 149 147 A L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.960 111.1 46.7 -55.2 -50.4 -28.9 -2.8 -7.9 150 148 A W H X>S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 5,-0.7 0.873 110.3 53.5 -61.0 -37.7 -28.8 -4.9 -4.7 151 149 A A H X5S+ 0 0 0 -4,-2.2 6,-2.2 -5,-0.2 4,-1.1 0.899 112.8 45.2 -63.3 -38.3 -27.0 -7.7 -6.6 152 150 A H H X5S+ 0 0 75 -4,-2.3 4,-0.7 4,-0.2 -2,-0.2 0.964 118.9 39.0 -70.8 -50.5 -24.4 -5.2 -7.8 153 151 A V H <5S+ 0 0 56 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.908 133.2 19.5 -68.3 -40.6 -23.9 -3.4 -4.5 154 152 A Y H <5S+ 0 0 49 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.756 130.1 36.9-103.0 -29.9 -24.0 -6.5 -2.2 155 153 A A H < - 0 0 15 -16,-0.3 4,-2.3 -2,-0.3 5,-0.1 -0.276 29.9-151.9 -58.0 125.0 -29.1 1.5 -13.1 162 160 A P H > S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.868 100.3 56.2 -60.2 -38.2 -27.0 4.7 -13.5 163 161 A E H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 110.1 43.4 -54.2 -54.4 -30.1 6.6 -12.4 164 162 A Y H > S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 112.4 52.5 -61.6 -46.0 -30.3 4.5 -9.2 165 163 A T H X S+ 0 0 45 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.870 108.1 51.6 -55.9 -41.9 -26.6 4.8 -8.6 166 164 A K H X S+ 0 0 83 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.944 109.1 50.1 -64.9 -46.3 -26.7 8.6 -8.9 167 165 A K H X S+ 0 0 53 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.893 112.0 48.9 -57.9 -39.9 -29.6 8.8 -6.4 168 166 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.948 111.6 46.8 -67.8 -45.8 -27.6 6.7 -4.0 169 167 A E H X S+ 0 0 83 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.856 109.0 57.1 -67.0 -32.0 -24.4 8.7 -4.3 170 168 A N H X S+ 0 0 95 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.966 112.2 40.1 -57.3 -53.0 -26.3 11.9 -3.9 171 169 A L H <>S+ 0 0 7 -4,-2.0 5,-1.9 1,-0.2 -2,-0.2 0.842 114.7 51.8 -71.4 -34.5 -27.8 10.8 -0.5 172 170 A C H ><5S+ 0 0 24 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.907 109.3 50.4 -64.2 -43.1 -24.5 9.2 0.7 173 171 A A H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.780 102.0 63.1 -63.6 -29.7 -22.7 12.5 -0.1 174 172 A A T 3<5S- 0 0 67 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.442 129.6 -95.7 -74.8 -3.8 -25.4 14.3 1.9 175 173 A G T < 5S+ 0 0 66 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.474 79.0 133.7 108.1 4.3 -24.2 12.4 4.9 176 174 A F < - 0 0 45 -5,-1.9 -1,-0.3 1,-0.1 2,-0.2 -0.623 64.4 -97.4 -88.9 150.0 -26.5 9.3 5.2 177 175 A D > - 0 0 104 -2,-0.2 4,-2.5 1,-0.1 3,-0.2 -0.407 32.9-130.3 -60.2 126.7 -25.3 5.7 5.8 178 176 A R H > S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.862 105.2 47.6 -54.9 -44.4 -25.2 3.9 2.4 179 177 A N H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 111.8 50.9 -63.8 -41.6 -27.2 0.9 3.5 180 178 A A H > S+ 0 0 31 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.910 111.0 50.5 -56.9 -42.0 -29.8 3.1 5.1 181 179 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.937 109.4 48.6 -62.8 -46.9 -29.9 5.0 1.8 182 180 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.949 114.3 46.6 -60.7 -45.4 -30.4 1.9 -0.4 183 181 A V H X S+ 0 0 53 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.913 113.2 48.6 -61.9 -44.7 -33.1 0.6 1.8 184 182 A A H X S+ 0 0 2 -4,-2.6 4,-0.8 -5,-0.2 6,-0.2 0.944 115.9 41.8 -65.3 -49.9 -34.9 4.0 2.0 185 183 A L H ><>S+ 0 0 0 -4,-2.9 5,-3.1 1,-0.2 3,-0.9 0.925 114.5 51.5 -62.3 -45.2 -34.8 4.6 -1.8 186 184 A S H ><5S+ 0 0 0 -4,-2.7 3,-0.6 -5,-0.3 -1,-0.2 0.895 113.1 45.8 -61.9 -38.9 -35.7 0.9 -2.6 187 185 A S H 3<5S+ 0 0 42 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.544 112.2 50.8 -80.6 -9.7 -38.7 1.1 -0.2 188 186 A K T X<5S- 0 0 88 -3,-0.9 3,-2.4 -4,-0.8 7,-0.2 -0.220 119.0 -97.5-124.2 40.0 -40.0 4.5 -1.5 189 187 A S T < 5S- 0 0 78 -3,-0.6 -3,-0.2 1,-0.3 3,-0.1 0.742 72.9 -68.9 52.3 30.2 -40.1 3.9 -5.2 190 188 A W T 3 - 0 0 71 -3,-2.4 4,-2.7 -6,-0.3 5,-0.3 -0.738 36.3-154.6 -89.2 111.2 -38.3 9.0 -4.7 192 190 A V H > S+ 0 0 46 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.869 89.6 52.4 -57.8 -36.4 -35.6 11.2 -3.3 193 191 A E H > S+ 0 0 130 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.950 114.1 37.8 -63.8 -57.1 -38.1 13.3 -1.3 194 192 A T H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.894 118.3 51.7 -68.5 -35.2 -39.9 10.5 0.5 195 193 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 -7,-0.2 -2,-0.2 0.925 112.1 46.1 -62.8 -46.6 -36.7 8.5 1.0 196 194 A T H X S+ 0 0 32 -4,-2.7 4,-2.0 -5,-0.3 5,-0.2 0.952 110.5 52.8 -63.8 -45.7 -35.0 11.6 2.4 197 195 A E H X S+ 0 0 114 -4,-3.0 4,-1.1 1,-0.2 -2,-0.2 0.923 110.4 48.6 -53.6 -44.0 -37.9 12.3 4.7 198 196 A L H X S+ 0 0 70 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.885 109.0 53.0 -61.3 -41.0 -37.7 8.7 5.9 199 197 A L H < S+ 0 0 8 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.792 107.8 50.9 -66.6 -30.4 -33.9 9.0 6.5 200 198 A L H < S+ 0 0 106 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.694 94.7 73.2 -79.4 -19.9 -34.5 12.1 8.7 201 199 A S H < 0 0 89 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.850 360.0 360.0 -61.4 -34.9 -37.1 10.3 10.7 202 200 A N < 0 0 150 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.1 0.399 360.0 360.0 -62.6 360.0 -34.3 8.3 12.4