==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ALLERGEN 20-APR-11 2YGU . COMPND 2 MOLECULE: VENOM ALLERGEN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: SOLENOPSIS INVICTA; . AUTHOR A.S.BORER,P.WASSMANN,T.SCHIRMER,Z.MARKOVIC-HOUSLEY . 936 11 28 22 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 652 69.7 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 . 0 0.0 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 . 0 0.0 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 526 56.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 4 0 0 0 0 0 8 0 1 0 9 8 0 6 8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D > 0 0 79 0, 0.0 4,-0.9 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 175.9 49.5 63.8 -40.0 2 2 A N H > + 0 0 150 2,-0.2 4,-2.1 3,-0.1 5,-0.1 0.838 360.0 51.2 -78.5 -36.8 47.6 67.1 -40.3 3 3 A K H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.891 111.8 45.7 -67.8 -44.0 45.2 66.3 -37.4 4 4 A E H > S+ 0 0 32 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.892 112.4 52.4 -65.2 -38.9 48.0 65.5 -35.0 5 5 A L H X S+ 0 0 12 -4,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.895 106.1 53.2 -66.6 -40.7 49.9 68.6 -36.1 6 6 A K H X S+ 0 0 60 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.922 111.9 47.1 -55.4 -43.9 46.8 70.7 -35.5 7 7 A I H X S+ 0 0 34 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.931 111.9 48.2 -66.7 -47.3 46.7 69.3 -32.0 8 8 A I H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.898 108.6 54.4 -61.9 -42.6 50.4 69.8 -31.3 9 9 A R H X S+ 0 0 128 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.908 108.7 48.8 -56.2 -44.6 50.2 73.4 -32.5 10 10 A K H X S+ 0 0 62 -4,-1.7 4,-1.6 -5,-0.2 -1,-0.2 0.864 112.1 49.7 -62.2 -38.2 47.4 74.1 -30.1 11 11 A D H X S+ 0 0 34 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.876 109.4 50.5 -69.5 -40.1 49.5 72.5 -27.3 12 12 A V H X S+ 0 0 15 -4,-2.8 4,-3.2 2,-0.2 5,-0.2 0.960 110.4 49.8 -59.3 -51.7 52.6 74.6 -28.2 13 13 A A H X S+ 0 0 59 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.873 113.9 45.7 -54.2 -40.9 50.5 77.8 -28.1 14 14 A E H X S+ 0 0 72 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.869 111.9 50.0 -74.9 -39.2 49.1 76.8 -24.7 15 15 A a H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.932 107.4 56.4 -60.6 -46.5 52.5 75.8 -23.3 16 16 A L H < S+ 0 0 71 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.8 42.6 -48.1 -41.5 53.8 79.2 -24.5 17 17 A R H < S+ 0 0 177 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.953 119.1 38.2 -75.0 -53.3 51.1 80.8 -22.4 18 18 A T H < S+ 0 0 73 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.732 92.5 97.8 -77.2 -25.6 51.2 78.8 -19.2 19 19 A L S < S- 0 0 24 -4,-2.6 16,-0.0 -5,-0.2 3,-0.0 -0.423 86.5 -99.3 -67.7 137.3 55.0 78.3 -18.9 20 20 A P - 0 0 79 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.284 31.9-119.3 -57.7 136.0 56.8 80.8 -16.6 21 21 A K - 0 0 129 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.712 42.8-179.0 -77.0 110.3 58.5 83.7 -18.4 22 22 A b - 0 0 42 -2,-0.8 3,-0.2 1,-0.1 117,-0.1 -0.787 30.9 -85.1-115.1 157.3 62.2 83.3 -17.5 23 23 A G S S+ 0 0 54 -2,-0.3 128,-0.1 1,-0.2 -1,-0.1 -0.169 100.4 16.3 -63.3 148.6 65.2 85.4 -18.4 24 24 A N S S+ 0 0 57 1,-0.2 127,-0.3 126,-0.1 -1,-0.2 0.958 81.1 149.8 56.9 64.5 67.2 84.9 -21.7 25 25 A Q - 0 0 29 -3,-0.2 -1,-0.2 125,-0.1 191,-0.1 -0.983 47.3-111.5-126.7 140.3 64.7 82.9 -23.7 26 26 A P - 0 0 8 0, 0.0 5,-0.1 0, 0.0 190,-0.1 -0.368 17.2-132.0 -67.1 148.1 64.3 82.9 -27.5 27 27 A D S S+ 0 0 70 185,-0.2 5,-0.1 -2,-0.0 3,-0.1 0.789 89.3 88.5 -67.0 -28.7 61.1 84.3 -29.0 28 28 A D > - 0 0 39 1,-0.2 3,-1.9 3,-0.1 4,-0.1 -0.614 67.3-158.7 -75.3 111.1 60.8 81.2 -31.1 29 29 A P G > S+ 0 0 28 0, 0.0 3,-1.7 0, 0.0 7,-0.3 0.817 90.6 60.5 -62.5 -30.4 58.9 78.6 -29.1 30 30 A L G 3 S+ 0 0 16 1,-0.3 86,-0.1 5,-0.1 -2,-0.1 0.539 98.6 59.4 -75.5 -6.2 60.3 75.8 -31.2 31 31 A A G < S+ 0 0 1 -3,-1.9 2,-0.5 -5,-0.1 -1,-0.3 0.350 91.0 93.6 -94.5 3.0 63.8 76.8 -30.0 32 32 A R <> - 0 0 34 -3,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.863 60.5-157.6-108.5 127.5 62.8 76.3 -26.4 33 33 A V H > S+ 0 0 14 -2,-0.5 4,-2.8 1,-0.2 5,-0.3 0.911 96.0 53.7 -62.9 -44.7 63.3 73.1 -24.4 34 34 A D H > S+ 0 0 21 107,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.865 110.0 48.2 -63.5 -34.8 60.6 73.8 -21.9 35 35 A V H > S+ 0 0 0 -6,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.934 113.2 46.2 -69.1 -48.4 58.0 74.3 -24.7 36 36 A W H X S+ 0 0 16 -4,-2.1 4,-3.1 -7,-0.3 5,-0.2 0.943 115.6 46.3 -59.3 -49.0 59.0 71.1 -26.6 37 37 A H H X S+ 0 0 23 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.900 113.2 49.3 -59.5 -45.1 59.0 69.1 -23.4 38 38 A a H X S+ 0 0 18 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.939 114.2 46.2 -57.8 -47.9 55.7 70.6 -22.3 39 39 A A H X S+ 0 0 0 -4,-2.9 4,-1.1 1,-0.2 -2,-0.2 0.914 114.9 45.2 -62.2 -47.8 54.2 69.9 -25.8 40 40 A M H <>S+ 0 0 10 -4,-3.1 5,-1.8 1,-0.2 3,-0.3 0.881 108.4 57.9 -67.9 -37.7 55.5 66.3 -25.9 41 41 A A H ><5S+ 0 0 35 -4,-2.6 3,-1.6 -5,-0.2 -1,-0.2 0.902 104.2 52.4 -55.3 -43.5 54.4 65.6 -22.3 42 42 A K H 3<5S+ 0 0 86 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.788 102.5 58.3 -66.8 -28.5 50.8 66.5 -23.3 43 43 A R T 3<5S- 0 0 96 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.245 119.5-113.0 -83.3 11.4 51.0 64.0 -26.2 44 44 A G T X 5S+ 0 0 9 -3,-1.6 3,-1.7 1,-0.1 4,-0.2 0.511 74.6 136.9 76.7 7.6 51.7 61.4 -23.5 45 45 A V T 3 > - 0 0 79 1,-0.2 4,-2.3 2,-0.1 3,-0.7 -0.404 64.1-139.4 -52.1 118.7 59.9 53.0 -18.5 51 51 A P H 3> S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.853 100.5 56.4 -52.8 -39.0 62.7 53.9 -20.9 52 52 A A H 3> S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.878 110.4 45.3 -61.9 -37.2 61.6 51.3 -23.5 53 53 A V H <> S+ 0 0 27 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.906 110.4 51.9 -74.1 -43.5 58.2 52.9 -23.6 54 54 A I H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.924 111.6 49.7 -56.0 -44.2 59.4 56.5 -23.8 55 55 A K H X S+ 0 0 49 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.941 110.1 48.3 -62.0 -51.1 61.6 55.3 -26.8 56 56 A E H X S+ 0 0 131 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.928 115.6 45.3 -54.3 -47.2 58.7 53.6 -28.6 57 57 A R H X S+ 0 0 103 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.839 111.6 51.5 -70.0 -36.7 56.5 56.7 -28.2 58 58 A S H X S+ 0 0 14 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.937 109.9 48.9 -63.0 -48.1 59.2 59.1 -29.2 59 59 A M H X S+ 0 0 65 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.900 110.5 52.2 -60.6 -38.0 59.9 57.2 -32.4 60 60 A K H X S+ 0 0 126 -4,-1.9 4,-0.7 -5,-0.2 3,-0.4 0.891 106.7 53.5 -62.2 -40.9 56.2 57.1 -33.1 61 61 A M H >X S+ 0 0 12 -4,-1.9 4,-2.1 1,-0.2 3,-1.1 0.883 98.6 63.4 -64.0 -39.6 56.1 60.9 -32.7 62 62 A c H 3X S+ 0 0 4 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.888 101.4 51.9 -49.5 -43.3 58.9 61.4 -35.2 63 63 A T H 3< S+ 0 0 62 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.746 111.2 48.6 -68.6 -22.9 56.6 59.9 -37.9 64 64 A K H << S+ 0 0 62 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.865 116.7 35.5 -86.5 -40.2 53.8 62.4 -37.0 65 65 A I H < S+ 0 0 11 -4,-2.1 49,-2.7 -61,-0.1 50,-0.4 0.311 114.5 57.8-101.2 7.9 55.7 65.7 -36.9 66 66 A I < - 0 0 6 -4,-0.8 47,-0.1 47,-0.2 -1,-0.0 -0.999 51.5-176.1-139.1 138.4 58.1 65.0 -39.8 67 67 A T + 0 0 121 -2,-0.3 -1,-0.1 45,-0.3 46,-0.1 0.805 58.6 89.9-104.1 -39.3 57.4 64.1 -43.5 68 68 A D > - 0 0 78 44,-0.3 4,-2.3 1,-0.2 5,-0.2 -0.477 68.7-144.9 -64.1 121.1 60.8 63.5 -45.2 69 69 A P H > S+ 0 0 103 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.858 98.1 53.1 -57.2 -37.9 61.5 59.8 -44.7 70 70 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.934 113.5 42.7 -62.2 -48.0 65.3 60.4 -44.4 71 71 A N H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.774 109.2 59.2 -68.3 -30.8 64.7 63.0 -41.6 72 72 A V H X S+ 0 0 18 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.934 108.3 45.2 -61.6 -44.6 62.1 60.7 -40.0 73 73 A E H X S+ 0 0 115 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.895 110.8 52.9 -67.4 -40.1 64.8 58.0 -39.7 74 74 A N H X S+ 0 0 66 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.924 108.4 51.0 -59.9 -45.2 67.3 60.5 -38.3 75 75 A c H X S+ 0 0 9 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.886 111.1 48.7 -56.3 -43.0 64.8 61.6 -35.7 76 76 A K H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.927 110.6 49.5 -65.9 -45.7 64.3 58.0 -34.7 77 77 A K H X S+ 0 0 104 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.908 115.0 45.4 -59.2 -42.1 68.0 57.3 -34.5 78 78 A V H X S+ 0 0 9 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.887 109.2 53.9 -71.2 -41.4 68.4 60.4 -32.3 79 79 A A H X S+ 0 0 11 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.937 110.3 48.5 -56.2 -45.9 65.4 59.6 -30.0 80 80 A S H X S+ 0 0 33 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.928 113.1 46.3 -60.5 -49.2 66.9 56.2 -29.3 81 81 A R H X S+ 0 0 94 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.923 114.0 48.2 -60.4 -47.1 70.3 57.6 -28.5 82 82 A d H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.899 112.0 48.1 -64.3 -42.7 68.9 60.4 -26.3 83 83 A V H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.924 111.9 50.7 -63.7 -43.5 66.6 58.1 -24.3 84 84 A D H < S+ 0 0 82 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.888 119.7 35.5 -59.2 -43.4 69.4 55.5 -23.8 85 85 A R H >< S+ 0 0 79 -4,-2.0 3,-0.6 -5,-0.1 -2,-0.2 0.894 120.5 43.6 -79.0 -45.5 71.9 58.2 -22.5 86 86 A E H 3< S+ 0 0 43 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.548 104.2 61.2 -89.2 -9.2 69.5 60.6 -20.6 87 87 A T T 3< S+ 0 0 23 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.458 86.2 96.6 -92.3 -3.2 67.4 58.0 -18.7 88 88 A Q < + 0 0 139 -3,-0.6 3,-0.3 -4,-0.1 -3,-0.0 -0.459 69.7 32.6 -74.3 157.5 70.5 56.7 -16.9 89 89 A G S S- 0 0 52 1,-0.2 7,-0.0 -2,-0.1 -3,-0.0 -0.185 97.4 -64.5 90.9-178.0 71.3 57.9 -13.4 90 90 A P S S+ 0 0 133 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.350 81.9 122.3 -96.3 3.3 69.5 59.1 -10.3 91 91 A K S S- 0 0 105 -3,-0.3 2,-0.0 1,-0.1 5,-0.0 -0.186 72.1 -88.9 -62.0 161.2 67.8 62.2 -11.7 92 92 A S > - 0 0 55 1,-0.1 4,-2.4 4,-0.0 5,-0.2 -0.292 32.0-113.7 -70.0 156.9 64.0 62.4 -11.4 93 93 A N H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.885 117.6 51.5 -57.2 -43.0 61.7 61.1 -14.2 94 94 A R H > S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.955 112.0 45.9 -61.1 -48.3 60.5 64.6 -15.1 95 95 A Q H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 49,-0.2 0.839 109.4 55.4 -64.5 -35.7 64.1 65.9 -15.3 96 96 A K H X S+ 0 0 34 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.910 107.1 51.1 -61.6 -41.4 65.1 62.9 -17.4 97 97 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.930 110.0 48.4 -60.3 -47.8 62.3 63.8 -19.8 98 98 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.912 110.9 51.4 -58.5 -43.5 63.5 67.4 -20.0 99 99 A N H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.873 106.5 54.0 -63.5 -38.6 67.1 66.2 -20.6 100 100 A I H X S+ 0 0 6 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.937 110.3 47.1 -57.4 -48.7 65.9 63.9 -23.5 101 101 A I H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 110.4 51.9 -60.8 -43.9 64.2 66.9 -25.1 102 102 A G H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.878 108.8 51.8 -60.6 -38.0 67.4 69.0 -24.7 103 103 A d H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.886 112.1 45.3 -66.9 -41.3 69.4 66.2 -26.3 104 104 A A H <>S+ 0 0 23 -4,-2.1 5,-1.6 2,-0.2 4,-0.4 0.867 113.1 50.4 -69.6 -39.0 67.1 66.0 -29.3 105 105 A L H ><5S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.941 109.4 50.5 -65.0 -46.8 67.0 69.8 -29.7 106 106 A R H 3<5S+ 0 0 33 -4,-2.4 122,-1.0 1,-0.3 -1,-0.2 0.863 105.7 58.1 -57.7 -36.9 70.8 70.1 -29.5 107 107 A A T 3<5S- 0 0 22 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.571 117.3-112.2 -72.1 -13.8 70.9 67.4 -32.3 108 108 A G T X>5S+ 0 0 8 -3,-1.5 3,-1.0 -4,-0.4 4,-0.7 0.442 75.7 131.9 100.1 2.6 68.9 69.5 -34.6 109 109 A V G >4< + 0 0 13 -5,-1.6 3,-1.1 1,-0.3 4,-0.4 0.851 66.7 63.1 -57.9 -36.2 65.7 67.4 -34.8 110 110 A A G >4 S+ 0 0 5 -6,-0.3 3,-1.4 1,-0.3 6,-0.4 0.868 96.8 58.6 -59.3 -36.4 63.4 70.5 -34.2 111 111 A E G <4 S+ 0 0 56 112,-1.0 -1,-0.3 -3,-1.0 -2,-0.2 0.789 102.8 53.4 -62.0 -30.8 64.6 72.1 -37.5 112 112 A T G << S+ 0 0 39 -3,-1.1 -45,-0.3 -4,-0.7 -44,-0.3 0.452 88.1 104.7 -86.3 -4.0 63.4 69.1 -39.5 113 113 A T S < S- 0 0 8 -3,-1.4 3,-0.4 -4,-0.4 -47,-0.2 -0.389 77.8-124.0 -80.0 159.0 59.9 69.2 -38.1 114 114 A V S S+ 0 0 69 -49,-2.7 -48,-0.1 1,-0.2 -1,-0.1 0.791 110.3 64.4 -70.2 -27.8 56.8 70.5 -40.1 115 115 A L 0 0 31 -50,-0.4 -1,-0.2 1,-0.2 -85,-0.1 0.861 360.0 360.0 -61.0 -37.0 56.1 72.9 -37.2 116 116 A A 0 0 53 -3,-0.4 -1,-0.2 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-99.5 -68.2 137.4 72.8 82.6 -14.8 137 20 B P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.273 31.9-118.4 -57.3 133.8 69.4 82.5 -12.9 138 21 B K - 0 0 101 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.656 42.6-179.0 -68.7 121.8 68.1 79.0 -12.2 139 22 B b - 0 0 36 -2,-0.5 3,-0.2 -117,-0.1 -117,-0.0 -0.922 30.8 -86.1-125.1 157.3 64.8 78.9 -14.0 140 23 B G S S+ 0 0 48 -2,-0.3 -106,-0.1 1,-0.2 -118,-0.1 -0.177 99.9 16.5 -62.6 148.9 62.2 76.1 -14.2 141 24 B N S S+ 0 0 46 1,-0.2 -107,-0.2 -108,-0.1 -1,-0.2 0.961 81.0 149.8 57.2 64.6 62.4 73.3 -16.8 142 25 B Q - 0 0 41 -3,-0.2 -1,-0.2 -109,-0.1 -43,-0.1 -0.985 47.3-111.5-127.5 139.9 66.0 73.5 -18.0 143 26 B P - 0 0 7 0, 0.0 5,-0.1 0, 0.0 -47,-0.1 -0.369 17.2-132.0 -66.5 147.8 68.2 70.8 -19.3 144 27 B D S S+ 0 0 72 -49,-0.2 5,-0.1 -2,-0.0 3,-0.1 0.789 89.2 88.4 -66.6 -28.8 71.2 69.7 -17.1 145 28 B D > - 0 0 40 1,-0.2 3,-2.0 3,-0.1 4,-0.1 -0.617 67.4-158.5 -75.6 111.4 73.3 69.9 -20.2 146 29 B P G > S+ 0 0 29 0, 0.0 3,-1.7 0, 0.0 7,-0.3 0.823 90.7 60.7 -62.9 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77.6 90.1 -35.8 172 55 B K H X S+ 0 0 48 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.938 110.2 49.8 -62.0 -49.9 77.6 87.9 -38.9 173 56 B E H X S+ 0 0 140 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.931 115.2 43.7 -48.3 -53.4 81.4 88.3 -39.5 174 57 B R H X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.845 111.6 52.3 -70.4 -37.0 82.2 87.4 -35.9 175 58 B S H X S+ 0 0 15 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.938 109.8 48.9 -62.2 -48.4 79.8 84.5 -35.7 176 59 B M H X S+ 0 0 66 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.887 110.5 52.2 -60.1 -37.8 81.3 83.0 -38.9 177 60 B K H < S+ 0 0 60 -4,-1.9 3,-0.3 -5,-0.2 -1,-0.2 0.888 106.7 53.4 -63.1 -40.2 84.8 83.5 -37.3 178 61 B M H < S+ 0 0 37 -4,-1.9 5,-0.2 1,-0.2 -2,-0.2 0.893 98.6 63.4 -64.3 -39.8 83.6 81.7 -34.1 179 62 B f H < 0 0 3 -4,-2.1 4,-0.8 1,-0.3 -1,-0.2 0.887 360.0 360.0 -48.9 -43.6 82.4 78.7 -36.2 180 63 B T < 0 0 88 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.747 360.0 360.0 -68.2 360.0 86.1 78.1 -37.2 181 ! 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 0.0 182 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3,-0.7 -0.390 64.2-139.4 -51.9 118.8 23.0 130.4 -6.6 405 51 D P H 3> S+ 0 0 54 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.850 100.4 56.4 -53.4 -38.7 21.8 127.1 -8.1 406 52 D A H 3> S+ 0 0 61 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.864 110.4 45.1 -61.8 -36.8 25.0 126.7 -10.2 407 53 D V H <> S+ 0 0 26 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.902 110.5 52.1 -74.7 -44.2 27.1 127.0 -7.0 408 54 D I H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.920 111.3 49.8 -55.3 -44.5 24.9 124.6 -5.0 409 55 D K H X S+ 0 0 48 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.935 110.2 49.1 -61.8 -48.5 25.3 122.1 -7.9 410 56 D E H X S+ 0 0 133 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.934 115.3 44.5 -53.8 -50.3 29.1 122.5 -7.9 411 57 D R H X S+ 0 0 102 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.847 111.5 51.8 -70.4 -36.3 29.4 122.0 -4.2 412 58 D S H X S+ 0 0 14 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.938 110.0 48.9 -62.7 -48.2 27.0 119.0 -4.1 413 59 D M H X S+ 0 0 63 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.882 110.5 52.2 -60.1 -37.8 28.9 117.2 -6.8 414 60 D K H X S+ 0 0 53 -4,-2.0 4,-0.7 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5,-0.1 0.933 113.5 42.5 -62.6 -47.6 30.2 104.2 -10.3 425 71 D N H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.785 109.2 59.3 -68.5 -31.4 28.2 105.4 -7.3 426 72 D V H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.933 108.4 45.2 -61.2 -44.3 30.1 108.6 -7.2 427 73 D E H X S+ 0 0 118 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.900 110.8 52.8 -67.5 -40.5 29.0 109.4 -10.8 428 74 D N H X S+ 0 0 63 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.923 108.5 50.9 -59.1 -45.9 25.4 108.4 -10.0 429 75 D m H X S+ 0 0 10 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.886 111.0 48.7 -55.7 -43.5 25.4 110.8 -7.0 430 76 D K H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 110.7 49.5 -65.6 -45.5 26.7 113.5 -9.3 431 77 D K H X S+ 0 0 103 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 115.1 45.3 -59.2 -42.1 24.0 112.8 -11.9 432 78 D V H X S+ 0 0 9 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.883 109.2 54.0 -70.7 -41.8 21.3 112.9 -9.2 433 79 D A H X S+ 0 0 11 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.928 110.4 48.4 -56.6 -45.3 22.6 116.0 -7.5 434 80 D S H X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.932 113.0 46.5 -61.0 -49.7 22.4 117.9 -10.8 435 81 D R H X S+ 0 0 100 -4,-1.9 4,-1.9 1,-0.2 5,-0.2 0.923 113.9 48.0 -59.1 -47.9 18.9 116.7 -11.6 436 82 D n H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.898 111.9 48.4 -64.5 -42.4 17.7 117.5 -8.0 437 83 D V H X S+ 0 0 0 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.2 0.924 110.4 52.9 -63.1 -43.7 19.2 121.0 -8.0 438 84 D D H < S+ 0 0 84 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.880 119.7 32.3 -58.8 -43.9 17.7 121.8 -11.5 439 85 D R H >< S+ 0 0 84 -4,-1.9 3,-1.2 -5,-0.1 -2,-0.2 0.936 119.9 47.0 -80.0 -48.9 14.2 120.8 -10.5 440 86 D E H 3< S+ 0 0 40 -4,-2.8 -3,-0.2 1,-0.3 -2,-0.2 0.569 104.2 59.6 -82.0 -9.2 14.0 121.8 -6.8 441 87 D T T 3< S+ 0 0 28 -4,-1.5 -1,-0.3 -5,-0.2 2,-0.1 0.458 87.3 96.6 -92.1 -3.9 15.6 125.3 -7.1 442 88 D Q < + 0 0 136 -3,-1.2 3,-0.3 -4,-0.1 -3,-0.0 -0.452 69.6 32.6 -73.5 157.2 12.8 126.3 -9.5 443 89 D G S S- 0 0 52 1,-0.2 7,-0.0 -2,-0.1 -3,-0.0 -0.187 97.4 -64.3 91.8-179.0 9.8 128.2 -8.2 444 90 D P S S+ 0 0 140 0, 0.0 -1,-0.2 0, 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110.4 47.3 -57.6 -48.2 17.1 119.0 -2.9 455 101 D I H X S+ 0 0 13 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.912 110.6 51.3 -61.5 -44.0 18.1 116.8 0.0 456 102 D G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.879 108.9 52.0 -61.3 -37.2 14.7 115.0 -0.0 457 103 D n H X S+ 0 0 8 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.885 112.1 45.1 -66.9 -40.8 15.1 114.5 -3.8 458 104 D A H <>S+ 0 0 22 -4,-2.1 5,-1.6 2,-0.2 4,-0.5 0.867 113.1 50.4 -69.3 -39.4 18.5 112.9 -3.3 459 105 D L H ><5S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.940 109.2 50.6 -65.0 -47.0 17.4 110.7 -0.4 460 106 D R H 3<5S+ 0 0 28 -4,-2.4 -113,-1.1 1,-0.3 -1,-0.2 0.865 105.6 58.2 -57.3 -37.2 14.4 109.5 -2.4 461 107 D A T 3<5S- 0 0 19 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.569 117.5-112.2 -72.4 -13.2 16.8 108.6 -5.2 462 108 D G T X>5S+ 0 0 8 -3,-1.5 3,-0.9 -4,-0.5 4,-0.7 0.457 75.5 132.2 99.9 3.2 18.8 106.3 -3.0 463 109 D V G >4< + 0 0 13 -5,-1.6 3,-1.1 1,-0.2 4,-0.4 0.852 66.7 62.7 -57.4 -35.9 22.1 108.2 -2.8 464 110 D A G >4 S+ 0 0 5 -6,-0.3 3,-1.3 1,-0.3 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44.8 -82.4 -37.4 60.1 144.4 -40.4 589 117 E R H < 0 0 160 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.2 0.923 360.0 360.0 -77.0 -45.7 60.2 144.0 -44.2 590 118 E K < 0 0 88 -4,-2.7 -1,-0.3 -5,-0.2 -4,-0.1 -0.564 360.0 360.0 -90.3 360.0 56.6 145.1 -44.6 591 !* 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 0.0 592 1 F D 0 0 60 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 154.9 92.5 146.6 -32.9 593 2 F N 0 0 104 2,-0.2 4,-3.0 3,-0.2 3,-0.6 0.939 360.0 360.0 -51.0 360.0 93.2 145.1 -29.4 594 ! 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 0.0 595 4 F E > 0 0 43 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -36.6 90.5 149.7 -29.3 596 5 F L H > + 0 0 22 -4,-1.9 4,-2.6 -3,-0.6 5,-0.2 0.861 360.0 54.7 -74.3 -40.7 88.6 146.6 -28.0 597 6 F K H > S+ 0 0 68 -4,-3.0 4,-1.7 -5,-0.2 -1,-0.2 0.924 111.3 47.0 -54.9 -44.1 90.1 146.9 -24.5 598 7 F I H > S+ 0 0 82 -5,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.927 111.7 48.3 -67.1 -46.9 88.8 150.5 -24.4 599 8 F I H X S+ 0 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H < S+ 0 0 99 -4,-2.7 -2,-0.2 2,-0.1 -3,-0.2 0.730 92.4 97.8 -76.5 -26.0 75.8 154.3 -14.9 610 19 F L S < S- 0 0 24 -4,-2.5 3,-0.0 -5,-0.2 16,-0.0 -0.423 86.1-100.6 -68.0 137.4 72.8 153.7 -17.1 611 20 F P - 0 0 88 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.285 31.9-120.1 -57.5 132.6 69.4 153.7 -15.3 612 21 F K - 0 0 149 -4,-0.1 2,-0.3 -3,-0.1 -4,-0.0 -0.660 41.3-178.3 -70.7 128.4 68.0 150.2 -14.5 613 22 F p - 0 0 40 -2,-0.4 3,-0.2 -119,-0.1 -3,-0.0 -0.932 31.0 -84.1-127.2 158.1 64.7 150.1 -16.3 614 23 F G S S+ 0 0 64 -2,-0.3 -108,-0.1 1,-0.2 -1,-0.0 -0.187 100.8 17.0 -63.3 148.7 62.1 147.3 -16.5 615 24 F N S S+ 0 0 41 1,-0.2 -1,-0.2 -110,-0.0 -109,-0.2 0.961 80.9 149.6 57.8 63.9 62.3 144.4 -18.9 616 25 F Q - 0 0 36 -3,-0.2 -1,-0.2 -111,-0.1 -45,-0.1 -0.983 47.4-111.6-126.9 140.1 66.0 144.5 -20.0 617 26 F P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 -49,-0.1 -0.362 17.2-132.1 -65.8 147.7 68.2 141.6 -21.0 618 27 F D S S+ 0 0 72 -51,-0.2 5,-0.1 3,-0.0 3,-0.1 0.789 89.2 88.5 -65.5 -29.7 71.1 140.7 -18.7 619 28 F D 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F V H <> S+ 0 0 38 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.897 110.5 52.1 -74.6 -43.9 80.3 162.3 -40.5 645 54 F I H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.920 111.6 48.8 -55.6 -44.6 78.3 159.8 -38.4 646 55 F K H X S+ 0 0 50 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.938 110.2 50.5 -61.5 -49.7 78.3 157.5 -41.4 647 56 F E H X S+ 0 0 86 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.910 115.3 43.2 -49.6 -50.7 82.2 157.9 -41.8 648 57 F R H X S+ 0 0 106 -4,-2.5 4,-1.9 -12,-0.2 -1,-0.2 0.829 111.6 52.4 -72.7 -37.2 82.8 157.2 -38.2 649 58 F S H X S+ 0 0 14 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.941 109.7 49.0 -62.3 -48.4 80.4 154.3 -37.9 650 59 F M H X S+ 0 0 64 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.886 110.5 52.1 -60.3 -37.3 82.0 152.5 -40.9 651 60 F K H X S+ 0 0 77 -4,-1.7 4,-0.7 -5,-0.2 3,-0.4 0.892 106.7 53.3 -63.6 -40.1 85.4 153.1 -39.3 652 61 F M H >X S+ 0 0 20 -4,-1.9 4,-2.1 1,-0.2 3,-1.2 0.889 98.5 63.6 -64.5 -39.5 84.1 151.5 -36.1 653 62 F t H 3X S+ 0 0 3 -4,-2.1 4,-0.7 1,-0.3 -1,-0.2 0.887 101.4 51.6 -49.4 -43.1 83.0 148.4 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144.0 -41.7 664 73 F E H X S+ 0 0 112 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.896 110.9 52.8 -67.0 -40.1 81.5 144.8 -45.1 665 74 F N H X S+ 0 0 72 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.922 108.6 50.8 -59.8 -45.9 78.0 143.8 -44.0 666 75 F t H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.887 111.2 48.7 -56.1 -43.2 78.4 146.1 -40.9 667 76 F K H X S+ 0 0 50 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.926 110.7 49.4 -65.2 -46.1 79.4 149.0 -43.2 668 77 F K H X S+ 0 0 81 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.906 115.1 45.4 -58.8 -41.9 76.5 148.4 -45.6 669 78 F V H X S+ 0 0 8 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.891 109.2 54.0 -70.8 -42.2 74.1 148.4 -42.6 670 79 F A H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.933 110.3 48.3 -56.0 -45.6 75.6 151.4 -40.9 671 80 F S H X S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.929 113.1 46.5 -60.9 -49.6 75.1 153.4 -44.2 672 81 F R H X S+ 0 0 94 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.925 113.9 47.9 -58.8 -48.5 71.5 152.3 -44.5 673 82 F u H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.898 112.0 48.5 -64.7 -42.2 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