==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 24-JAN-07 2ONU . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.DONG,J.LEW,L.LIN,A.HASSANALI,Y.ZHAO,G.SENISTERRA,G.WASNEY, . 150 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8174.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 65.3 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 . 23 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 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 0.7 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 . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 3 0 1 0 0 0 0 0 1 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 . 2 0 0 2 0 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 0 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 3 A S 0 0 163 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 0.1 0.5 4.6 108.9 2 4 A L - 0 0 129 1,-0.1 2,-0.0 4,-0.0 0, 0.0 -0.623 360.0-165.2-100.8 113.0 2.2 6.0 105.8 3 5 A T > - 0 0 70 -2,-0.6 4,-1.5 1,-0.1 5,-0.1 -0.165 33.9-118.1 -75.3 169.0 0.5 8.0 103.0 4 6 A R H > S+ 0 0 73 2,-0.2 4,-2.3 3,-0.2 5,-0.3 0.827 117.8 60.4 -74.5 -34.7 1.8 8.8 99.5 5 7 A K H 4 S+ 0 0 46 51,-0.3 4,-0.2 1,-0.2 -1,-0.2 0.898 112.0 39.3 -48.7 -45.2 1.5 12.5 100.6 6 8 A Q H 4 S+ 0 0 92 1,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.855 129.6 23.0 -78.7 -37.7 4.0 11.7 103.3 7 9 A C H >< S+ 0 0 34 -4,-1.5 3,-2.0 1,-0.1 4,-0.4 0.621 88.7 91.7-113.7 -18.3 6.5 9.4 101.6 8 10 A D T >X S+ 0 0 14 -4,-2.3 3,-2.1 1,-0.3 4,-0.7 0.839 81.0 64.8 -57.9 -36.4 6.5 9.8 97.8 9 11 A F H 3> S+ 0 0 28 17,-0.3 4,-1.4 -5,-0.3 3,-0.4 0.780 91.0 67.5 -56.0 -25.8 9.3 12.4 97.8 10 12 A T H <> S+ 0 0 55 -3,-2.0 4,-2.7 1,-0.2 -1,-0.3 0.751 90.4 62.5 -65.4 -24.5 11.6 9.7 99.2 11 13 A K H <> S+ 0 0 97 -3,-2.1 4,-2.4 -4,-0.4 -1,-0.2 0.869 101.8 50.7 -71.7 -35.0 11.3 7.8 95.8 12 14 A L H X>S+ 0 0 0 -4,-0.7 5,-3.0 -3,-0.4 4,-0.6 0.883 110.0 49.4 -64.2 -41.9 13.0 10.8 94.2 13 15 A I H ><5S+ 0 0 89 -4,-1.4 3,-1.0 3,-0.2 -2,-0.2 0.935 112.5 48.1 -61.3 -46.7 15.8 10.7 96.8 14 16 A M H 3<5S+ 0 0 158 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.894 106.4 57.0 -58.4 -41.7 16.1 7.0 96.1 15 17 A A H 3<5S- 0 0 54 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.652 127.6-100.5 -64.3 -15.3 16.2 7.7 92.3 16 18 A G T <<5 + 0 0 66 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.524 69.1 154.4 107.5 11.3 19.2 10.0 92.9 17 19 A Y < - 0 0 39 -5,-3.0 2,-0.7 -6,-0.1 -1,-0.3 -0.418 43.8-132.5 -76.2 144.1 17.5 13.4 92.9 18 20 A D + 0 0 112 14,-0.4 14,-2.7 -2,-0.1 2,-0.3 -0.882 45.8 158.9 -90.1 112.3 18.8 16.4 94.7 19 21 A L E -A 31 0A 27 -2,-0.7 2,-0.4 12,-0.2 12,-0.2 -0.988 31.3-157.8-142.2 159.9 15.9 17.8 96.6 20 22 A E E -A 30 0A 119 10,-2.1 10,-2.5 -2,-0.3 2,-0.2 -0.999 20.2-130.9-136.4 124.7 15.0 20.0 99.5 21 23 A L E -A 29 0A 59 -2,-0.4 2,-0.6 8,-0.2 3,-0.3 -0.512 23.2-126.1 -69.9 146.4 11.7 20.1 101.5 22 24 A N E > S-A 25 0A 31 6,-3.4 3,-1.7 3,-0.5 5,-0.2 -0.874 83.7 -20.4 -97.7 120.2 10.2 23.5 102.0 23 25 A N T 3 S- 0 0 164 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.860 119.6 -63.8 48.4 44.3 9.5 24.2 105.7 24 26 A G T 3 S+ 0 0 67 -3,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.734 97.1 144.3 52.2 27.8 9.6 20.5 106.6 25 27 A S E X -A 22 0A 42 -3,-1.7 3,-0.8 3,-0.3 -3,-0.5 -0.829 44.4-156.6 -93.6 132.0 6.5 19.8 104.4 26 28 A T E 3 S+ 0 0 36 -2,-0.4 -17,-0.3 1,-0.2 -1,-0.1 0.470 95.9 56.2 -80.9 -3.8 6.6 16.4 102.6 27 29 A Q E 3 S+ 0 0 40 1,-0.2 25,-2.5 -5,-0.2 2,-0.3 0.133 103.5 56.0-113.8 14.4 4.1 18.0 100.1 28 30 A D E < + B 0 51A 42 -3,-0.8 -6,-3.4 23,-0.3 -3,-0.3 -0.871 67.5 139.5-155.5 108.5 6.3 21.0 99.1 29 31 A F E -AB 21 50A 0 21,-2.7 21,-3.2 -2,-0.3 2,-0.5 -0.983 42.5-129.8-153.8 158.6 9.8 20.6 97.8 30 32 A D E -AB 20 49A 24 -10,-2.5 -10,-2.1 -2,-0.3 2,-0.4 -0.969 28.3-169.5-115.1 127.5 12.3 21.9 95.2 31 33 A V E -AB 19 48A 0 17,-2.6 17,-3.1 -2,-0.5 2,-0.4 -0.915 22.8-120.5-124.3 142.5 14.1 19.3 93.0 32 34 A M E - B 0 47A 22 -14,-2.7 2,-0.4 -2,-0.4 -14,-0.4 -0.704 31.5-170.7 -83.5 129.5 17.0 19.7 90.7 33 35 A F E - B 0 46A 6 13,-2.8 13,-2.9 -2,-0.4 2,-0.4 -0.986 11.8-148.1-127.0 128.3 16.2 18.7 87.1 34 36 A H E - B 0 45A 126 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.815 30.0-106.4 -97.3 133.2 18.6 18.2 84.2 35 37 A G - 0 0 7 9,-3.1 8,-0.6 -2,-0.4 4,-0.1 -0.264 45.3 -98.0 -57.6 135.1 17.5 19.0 80.5 36 38 A P > - 0 0 19 0, 0.0 3,-1.1 0, 0.0 5,-0.1 -0.237 42.6-106.7 -56.6 139.4 16.9 15.9 78.4 37 39 A N T 3 S+ 0 0 138 1,-0.2 3,-0.1 5,-0.1 4,-0.1 -0.382 100.2 23.2 -63.7 148.4 19.9 14.9 76.2 38 40 A G T 3 S+ 0 0 70 1,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.638 104.9 101.3 65.9 14.7 19.6 15.4 72.4 39 41 A T S X S- 0 0 24 -3,-1.1 3,-1.8 -4,-0.1 -1,-0.3 -0.765 92.7-103.1-113.6 170.4 17.0 18.2 72.9 40 42 A A T 3 S+ 0 0 8 -2,-0.3 100,-0.2 1,-0.3 -5,-0.1 0.724 122.4 63.1 -59.4 -21.2 17.4 22.0 72.9 41 43 A Y T > S+ 0 0 7 -5,-0.1 3,-2.0 67,-0.1 -6,-0.3 0.468 74.7 129.0 -82.6 -2.7 17.2 21.6 76.7 42 44 A E T < S+ 0 0 101 -3,-1.8 -5,-0.1 1,-0.3 3,-0.1 -0.260 72.8 18.4 -57.4 136.7 20.5 19.6 76.8 43 45 A G T 3 S+ 0 0 64 -8,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.405 97.1 126.4 81.7 -2.4 23.0 20.9 79.4 44 46 A G < - 0 0 0 -3,-2.0 -9,-3.1 -8,-0.1 2,-0.4 -0.654 43.0-161.3 -85.3 146.0 20.3 22.9 81.2 45 47 A I E -B 34 0A 33 99,-2.2 2,-0.3 -2,-0.3 -11,-0.2 -0.999 12.2-178.1-124.1 131.5 19.7 22.6 84.9 46 48 A W E -B 33 0A 2 -13,-2.9 -13,-2.8 -2,-0.4 2,-0.6 -0.954 26.2-134.2-124.0 145.9 16.4 23.8 86.5 47 49 A K E -B 32 0A 32 -2,-0.3 19,-3.1 -15,-0.2 2,-0.5 -0.891 29.3-156.6 -93.2 128.7 15.1 24.0 90.1 48 50 A V E -BC 31 65A 0 -17,-3.1 -17,-2.6 -2,-0.6 2,-0.8 -0.911 8.6-144.7-117.7 122.7 11.6 22.7 90.0 49 51 A H E -BC 30 64A 64 15,-3.5 15,-1.2 -2,-0.5 2,-0.4 -0.733 21.8-175.3 -89.2 111.1 9.0 23.5 92.6 50 52 A V E -BC 29 63A 1 -21,-3.2 -21,-2.7 -2,-0.8 2,-0.4 -0.896 6.4-179.7-106.1 132.1 6.7 20.6 93.4 51 53 A T E -BC 28 62A 42 11,-1.5 11,-2.1 -2,-0.4 -23,-0.3 -0.994 17.8-145.9-124.9 142.2 3.7 20.7 95.7 52 54 A L - 0 0 6 -25,-2.5 8,-0.1 -2,-0.4 -25,-0.0 -0.925 20.8-134.3-105.8 121.3 1.4 17.7 96.4 53 55 A P > - 0 0 38 0, 0.0 3,-1.9 0, 0.0 6,-0.1 -0.262 26.2-105.0 -73.5 164.0 -2.3 18.7 96.9 54 56 A D T 3 S+ 0 0 121 1,-0.3 -49,-0.1 3,-0.1 -2,-0.0 0.725 121.2 52.0 -67.9 -16.2 -4.3 17.3 99.8 55 57 A D T >> S+ 0 0 104 5,-0.1 3,-2.0 2,-0.1 4,-0.8 0.373 91.9 162.2 -99.3 6.5 -6.2 14.9 97.5 56 58 A Y T <4 + 0 0 5 -3,-1.9 -51,-0.3 1,-0.3 -52,-0.1 -0.378 54.9 33.4 -50.9 137.0 -3.0 13.6 96.0 57 59 A P T 34 S+ 0 0 19 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.970 124.5 48.3 -89.2 6.5 -2.5 11.0 94.4 58 60 A F T <4 S+ 0 0 160 -3,-2.0 2,-0.3 34,-0.1 -2,-0.3 0.864 116.4 49.5 -75.7 -35.1 -6.1 11.4 93.0 59 61 A A S < S- 0 0 27 -4,-0.8 32,-0.1 -6,-0.1 0, 0.0 -0.795 99.2-117.8 -92.4 147.3 -5.2 15.0 92.2 60 62 A S - 0 0 10 -2,-0.3 -5,-0.1 -4,-0.1 -4,-0.1 -0.418 29.0 -98.1 -81.4 157.8 -1.9 15.6 90.4 61 63 A P - 0 0 1 0, 0.0 2,-0.3 0, 0.0 -9,-0.2 -0.394 32.0-120.4 -66.9 149.3 1.1 17.5 91.7 62 64 A S E -C 51 0A 68 -11,-2.1 -11,-1.5 -2,-0.1 2,-0.4 -0.759 27.6-161.5 -84.5 144.3 1.8 21.1 90.6 63 65 A I E +C 50 0A 3 18,-0.3 18,-2.9 -2,-0.3 2,-0.4 -0.994 10.6 178.8-130.9 131.6 5.1 21.7 88.9 64 66 A G E -CD 49 80A 13 -15,-1.2 -15,-3.5 -2,-0.4 2,-0.4 -0.967 25.2-136.6-141.0 119.2 6.9 25.1 88.5 65 67 A F E -C 48 0A 4 14,-3.5 -17,-0.2 -2,-0.4 4,-0.2 -0.637 14.8-161.9 -71.8 126.6 10.2 25.8 86.9 66 68 A M S S+ 0 0 66 -19,-3.1 2,-0.3 -2,-0.4 -1,-0.1 0.714 75.5 45.1 -93.1 -26.0 12.1 28.3 89.2 67 69 A N S S- 0 0 14 -20,-0.4 77,-0.1 12,-0.1 76,-0.1 -0.878 116.5 -65.7-107.0 158.4 14.6 29.6 86.6 68 70 A K + 0 0 78 -2,-0.3 2,-0.4 75,-0.1 75,-0.1 -0.031 52.5 179.8 -52.5 126.9 13.4 30.5 83.1 69 71 A L - 0 0 3 7,-0.3 2,-0.7 -4,-0.2 10,-0.1 -0.991 17.6-147.4-126.9 121.9 12.1 27.7 81.0 70 72 A L + 0 0 3 -2,-0.4 5,-0.1 66,-0.1 3,-0.1 -0.807 42.9 127.2 -92.8 115.7 10.9 28.4 77.4 71 73 A H > - 0 0 0 -2,-0.7 3,-1.7 3,-0.4 50,-0.1 -0.945 63.3-121.1-166.1 140.4 8.0 26.1 76.4 72 74 A P T 3 S+ 0 0 0 0, 0.0 46,-3.0 0, 0.0 45,-2.3 0.838 114.8 45.7 -52.4 -36.4 4.5 26.5 74.9 73 75 A N T 3 S+ 0 0 1 43,-0.2 9,-2.8 44,-0.2 2,-0.5 0.250 99.8 81.7 -96.3 7.8 2.9 24.6 78.0 74 76 A V B < S-E 81 0B 0 -3,-1.7 -3,-0.4 7,-0.2 2,-0.4 -0.970 84.5-119.7-115.9 126.6 4.9 26.5 80.6 75 77 A D > - 0 0 52 5,-3.0 4,-2.5 -2,-0.5 5,-0.2 -0.487 23.5-147.4 -62.0 120.3 3.9 29.9 81.9 76 78 A E T 4 S+ 0 0 47 -2,-0.4 -7,-0.3 41,-0.3 -1,-0.2 0.889 89.6 41.3 -64.3 -42.9 6.9 32.1 81.1 77 79 A A T 4 S+ 0 0 99 1,-0.2 -1,-0.2 -9,-0.1 -2,-0.1 0.949 128.8 26.1 -69.4 -53.5 6.7 34.5 84.1 78 80 A S T 4 S- 0 0 74 2,-0.1 -2,-0.2 -10,-0.0 -1,-0.2 0.660 94.4-131.0 -87.3 -20.4 5.8 32.0 86.9 79 81 A G < + 0 0 6 -4,-2.5 -14,-3.5 1,-0.3 2,-0.3 0.542 51.9 156.4 79.2 8.0 7.4 28.8 85.4 80 82 A S B -D 64 0A 56 -16,-0.3 -5,-3.0 -5,-0.2 2,-0.4 -0.489 40.2-131.0 -75.2 128.4 4.2 27.0 86.1 81 83 A V B -E 74 0B 5 -18,-2.9 -18,-0.3 -2,-0.3 -7,-0.2 -0.666 36.4 -93.5 -84.5 131.6 3.4 23.9 84.0 82 84 A C > - 0 0 15 -9,-2.8 4,-2.1 -2,-0.4 5,-0.1 -0.144 27.4-146.7 -48.0 122.0 -0.1 23.7 82.5 83 85 A L H > S+ 0 0 105 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.831 95.9 56.9 -61.2 -37.1 -2.4 21.7 84.8 84 86 A D H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.913 107.6 46.1 -64.2 -44.0 -4.3 20.3 81.8 85 87 A V H > S+ 0 0 11 2,-0.2 4,-0.6 1,-0.2 3,-0.4 0.911 111.8 51.2 -70.3 -36.7 -1.3 18.7 80.2 86 88 A I H >X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 3,-1.7 0.953 109.8 52.1 -54.2 -50.2 -0.1 17.3 83.5 87 89 A N H 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.668 97.3 64.8 -64.6 -22.6 -3.6 15.8 84.0 88 90 A Q H 3< S+ 0 0 142 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.715 118.3 27.4 -68.3 -21.7 -3.5 14.1 80.5 89 91 A T H << S+ 0 0 52 -3,-1.7 -2,-0.2 -4,-0.6 2,-0.2 0.763 102.8 90.8-107.4 -38.9 -0.6 12.0 81.9 90 92 A W < + 0 0 18 -4,-3.0 -30,-0.1 -5,-0.1 -32,-0.0 -0.404 44.0 162.2 -66.6 128.9 -1.3 11.9 85.7 91 93 A T > - 0 0 68 -2,-0.2 3,-1.8 -32,-0.1 -32,-0.1 -0.896 55.9-100.3-128.8 166.8 -3.4 9.0 87.0 92 94 A P T 3 S+ 0 0 58 0, 0.0 -34,-0.1 0, 0.0 -33,-0.1 0.635 126.1 50.3 -57.6 -16.2 -3.7 7.8 90.7 93 95 A L T 3 S+ 0 0 164 -35,-0.1 2,-0.1 2,-0.1 -35,-0.1 0.405 84.9 112.3-101.0 -5.9 -1.3 5.0 89.7 94 96 A Y < - 0 0 41 -3,-1.8 2,-0.4 -37,-0.2 -4,-0.1 -0.438 69.0-118.6 -71.4 145.7 1.3 7.3 88.0 95 97 A S > - 0 0 24 1,-0.1 4,-1.3 -2,-0.1 3,-0.4 -0.706 1.3-140.6 -91.6 133.9 4.8 7.5 89.8 96 98 A L H > S+ 0 0 1 -2,-0.4 4,-0.9 1,-0.2 3,-0.2 0.849 107.1 54.9 -54.1 -38.2 6.2 10.8 91.2 97 99 A V H >> S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 3,-0.5 0.870 102.5 56.9 -63.1 -35.1 9.6 9.7 89.9 98 100 A N H 3>>S+ 0 0 65 -3,-0.4 4,-3.0 1,-0.3 5,-2.8 0.792 92.5 67.8 -74.3 -26.0 8.2 9.3 86.4 99 101 A V H 3<>S+ 0 0 4 -4,-1.3 5,-2.6 3,-0.2 -1,-0.3 0.939 115.6 29.4 -49.3 -46.7 7.0 12.9 86.4 100 102 A F H <<5S+ 0 0 2 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.817 127.5 42.1 -87.2 -30.5 10.8 13.7 86.3 101 103 A E H <5S+ 0 0 99 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.775 136.2 2.1 -87.1 -28.5 12.1 10.6 84.5 102 104 A V T X5S+ 0 0 72 -4,-3.0 4,-1.9 -5,-0.2 5,-0.2 0.705 122.7 52.5-126.3 -56.7 9.4 10.3 81.8 103 105 A F H > S+ 0 0 28 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.890 114.9 48.2 -57.6 -37.2 11.5 15.0 79.3 106 108 A Q H X S+ 0 0 108 -4,-1.9 4,-2.8 2,-0.2 3,-0.4 0.964 112.5 47.7 -62.8 -53.9 8.7 13.8 76.9 107 109 A L H < S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.2 -3,-0.2 0.886 112.1 48.7 -56.0 -45.1 6.9 17.1 77.3 108 110 A L H < S+ 0 0 5 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.790 113.9 47.4 -68.6 -27.1 10.0 19.2 76.6 109 111 A T H < S+ 0 0 42 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.870 125.3 27.6 -79.1 -38.4 10.8 17.0 73.6 110 112 A Y S < S- 0 0 157 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.1 -0.759 82.7-167.7-131.0 85.1 7.3 17.2 72.1 111 113 A P - 0 0 32 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.102 19.6-128.7 -63.6 162.3 5.5 20.4 73.1 112 114 A N - 0 0 64 1,-0.1 10,-0.1 2,-0.1 -27,-0.0 -0.764 19.4-177.8-118.1 90.4 1.8 21.1 72.7 113 115 A P + 0 0 38 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.371 58.4 107.9 -62.4 3.6 1.1 24.5 70.9 114 116 A S S S- 0 0 55 1,-0.2 -2,-0.1 8,-0.0 8,-0.0 -0.786 98.7 -9.4 -79.5 128.8 -2.6 23.6 71.4 115 117 A D S S- 0 0 88 -2,-0.5 -1,-0.2 1,-0.1 2,-0.1 0.928 96.0-161.6 42.4 61.5 -4.0 25.9 74.2 116 118 A P - 0 0 43 0, 0.0 3,-0.3 0, 0.0 -43,-0.2 -0.338 31.4-155.1 -76.3 149.1 -0.5 27.3 75.1 117 119 A L S S+ 0 0 74 -45,-2.3 2,-0.5 1,-0.3 -41,-0.3 0.684 102.7 42.0 -87.1 -27.2 0.4 29.0 78.4 118 120 A N S > S+ 0 0 14 -46,-3.0 4,-1.8 -43,-0.1 -1,-0.3 -0.874 71.6 174.3-116.7 95.2 3.2 30.6 76.4 119 121 A S H > S+ 0 0 71 -2,-0.5 4,-2.8 -3,-0.3 5,-0.2 0.767 76.9 60.0 -75.5 -26.6 1.6 31.6 73.0 120 122 A D H > S+ 0 0 128 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 108.9 45.1 -61.8 -40.9 4.7 33.4 71.7 121 123 A A H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.916 112.8 51.1 -69.2 -43.8 6.7 30.1 72.1 122 124 A A H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.918 113.0 45.7 -56.0 -49.8 3.8 28.2 70.4 123 125 A S H X S+ 0 0 50 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.967 112.7 48.8 -58.7 -56.5 3.8 30.6 67.5 124 126 A L H X S+ 0 0 51 -4,-2.6 4,-2.5 1,-0.2 8,-0.4 0.916 113.5 48.1 -50.2 -48.4 7.5 30.6 67.0 125 127 A L H < S+ 0 0 24 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.890 112.0 49.3 -59.8 -44.7 7.5 26.7 67.1 126 128 A M H < S+ 0 0 130 -4,-2.5 3,-0.3 -5,-0.2 -2,-0.2 0.939 113.7 46.9 -58.0 -48.9 4.6 26.6 64.6 127 129 A K H < S- 0 0 175 -4,-3.0 2,-0.2 1,-0.2 -2,-0.2 0.919 135.7 -8.2 -61.5 -50.5 6.4 29.0 62.2 128 130 A D X - 0 0 66 -4,-2.5 4,-2.9 -5,-0.2 -1,-0.2 -0.714 53.0-163.8-159.3 101.6 9.9 27.4 62.3 129 131 A K H > S+ 0 0 106 -3,-0.3 4,-2.4 1,-0.2 5,-0.1 0.827 94.4 50.0 -53.2 -40.2 10.9 24.6 64.6 130 132 A N H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.907 111.2 46.4 -68.9 -45.9 14.6 25.1 64.0 131 133 A I H > S+ 0 0 90 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.945 113.6 51.9 -59.3 -46.0 14.5 28.9 64.6 132 134 A Y H >X S+ 0 0 6 -4,-2.9 4,-2.0 -8,-0.4 3,-0.7 0.917 108.9 48.9 -52.8 -49.6 12.5 28.1 67.7 133 135 A E H 3X S+ 0 0 51 -4,-2.4 4,-2.2 1,-0.3 -1,-0.2 0.752 104.6 58.9 -70.0 -22.9 15.0 25.5 69.0 134 136 A E H 3X S+ 0 0 131 -4,-1.5 4,-1.2 -3,-0.3 -1,-0.3 0.791 107.1 49.1 -70.6 -29.3 17.9 28.0 68.4 135 137 A K H - 0 0 35 -4,-0.2 3,-1.2 -101,-0.2 4,-0.4 -0.303 60.5-102.3 -72.4 160.0 23.6 27.2 83.2 146 148 A K G > S+ 0 0 69 1,-0.2 3,-0.7 -103,-0.2 4,-0.3 0.886 116.2 47.3 -44.7 -55.9 25.4 24.9 85.6 147 149 A D G > S+ 0 0 116 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.599 82.6 96.3 -70.0 -17.7 26.5 27.5 88.2 148 150 A L G < S+ 0 0 84 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.839 99.8 25.1 -47.6 -48.4 23.2 29.3 88.6 149 151 A W G < 0 0 107 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.428 360.0 360.0 -97.9 1.2 22.0 27.4 91.7 150 152 A E < 0 0 148 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 -0.793 360.0 360.0 97.4 360.0 25.7 26.6 92.7