==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 22-MAR-07 2UWJ . COMPND 2 MOLECULE: TYPE III EXPORT PROTEIN PSCE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.QUINAUD,S.PLE,V.JOB,C.CONTRERAS-MARTEL,J.P.SIMORRE, . 215 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10791.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 171 79.5 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.9 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 1 1 0 0 0 1 0 1 1 3 1 0 0 0 0 0 0 0 1 0 1 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 E G > 0 0 34 0, 0.0 3,-0.9 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0-179.5 32.1 34.8 23.3 2 2 E S T 3 + 0 0 123 1,-0.3 2,-0.6 2,-0.1 3,-0.0 0.965 360.0 27.3 -49.6 -59.5 30.4 35.4 26.7 3 3 E H T 3 S- 0 0 165 1,-0.1 -1,-0.3 2,-0.0 7,-0.1 -0.603 122.6 -76.7-121.3 93.9 33.1 33.2 28.1 4 4 E M < - 0 0 36 -3,-0.9 -2,-0.1 -2,-0.6 -1,-0.1 0.911 29.4-159.8 31.6 109.7 36.3 33.2 26.2 5 5 E M S S+ 0 0 16 -4,-0.1 2,-0.3 113,-0.1 -1,-0.1 0.642 78.4 44.0 -78.3 -16.9 36.5 31.2 23.0 6 6 E T S > S- 0 0 4 1,-0.1 4,-1.5 -5,-0.1 5,-0.1 -0.949 76.6-125.9-134.7 156.5 40.3 31.2 23.2 7 7 E A H > S+ 0 0 37 -2,-0.3 4,-2.7 1,-0.2 3,-0.2 0.903 111.7 57.4 -58.6 -45.1 43.1 30.6 25.8 8 8 E L H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.929 103.2 53.2 -54.5 -47.2 44.6 34.0 24.9 9 9 E E H > S+ 0 0 8 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.893 108.7 49.3 -59.8 -35.6 41.4 35.8 25.8 10 10 E T H >< S+ 0 0 77 -4,-1.5 3,-1.4 -3,-0.2 4,-0.4 0.971 109.9 51.3 -66.3 -47.8 41.4 34.1 29.2 11 11 E R H >< S+ 0 0 92 -4,-2.7 3,-1.1 1,-0.3 8,-0.2 0.929 113.1 46.6 -51.2 -46.2 45.0 35.2 29.7 12 12 E L H 3< S+ 0 0 27 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.602 95.5 73.0 -73.7 -13.3 44.0 38.7 28.7 13 13 E S T << S+ 0 0 77 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.503 73.5 119.8 -80.5 -0.5 40.9 38.8 31.0 14 14 E V S < S- 0 0 81 -3,-1.1 5,-0.1 -4,-0.4 4,-0.0 -0.399 75.0-115.8 -67.8 138.1 43.3 39.1 34.0 15 15 E A S S+ 0 0 110 -2,-0.1 2,-0.7 1,-0.1 -1,-0.1 0.857 103.1 49.3 -37.0 -67.5 43.0 42.2 36.3 16 16 E D S > S- 0 0 92 1,-0.1 2,-2.8 4,-0.0 3,-0.6 -0.745 85.4-137.3 -84.6 115.3 46.4 43.8 35.6 17 17 E G T 3> + 0 0 43 -2,-0.7 4,-2.9 1,-0.3 5,-0.3 0.080 60.6 134.6 -62.5 33.9 46.9 43.9 31.9 18 18 E T H 3> S+ 0 0 95 -2,-2.8 4,-2.1 1,-0.2 -1,-0.3 0.921 72.4 44.5 -51.0 -47.4 50.4 42.7 32.4 19 19 E H H <> S+ 0 0 40 -3,-0.6 4,-2.9 -8,-0.2 5,-0.2 0.935 113.7 48.7 -65.1 -45.8 50.1 40.2 29.6 20 20 E A H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 112.8 47.3 -60.8 -45.7 48.3 42.5 27.1 21 21 E A H X S+ 0 0 50 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.925 114.4 48.2 -62.0 -43.7 50.9 45.4 27.7 22 22 E A H X S+ 0 0 35 -4,-2.1 4,-2.0 -5,-0.3 -2,-0.2 0.895 112.6 47.0 -63.2 -44.1 53.7 42.9 27.3 23 23 E L H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.934 110.8 52.8 -64.9 -45.0 52.3 41.3 24.1 24 24 E R H X S+ 0 0 134 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.913 109.1 49.9 -56.4 -44.3 51.6 44.8 22.6 25 25 E Q H X S+ 0 0 131 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.907 110.3 49.3 -62.8 -41.3 55.2 45.8 23.2 26 26 E R H X S+ 0 0 85 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.894 113.1 46.9 -65.5 -40.0 56.6 42.7 21.6 27 27 E L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 114.0 47.5 -66.2 -47.7 54.3 43.2 18.5 28 28 E Q H X S+ 0 0 79 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.927 111.6 50.9 -60.5 -42.7 55.2 46.9 18.2 29 29 E A H X S+ 0 0 57 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.942 112.6 45.8 -61.3 -47.6 59.0 46.1 18.6 30 30 E A H X S+ 0 0 14 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.883 112.6 50.9 -63.9 -36.7 58.7 43.5 15.8 31 31 E L H X S+ 0 0 10 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.908 108.8 51.5 -69.1 -36.7 56.7 45.8 13.6 32 32 E A H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.925 110.4 48.1 -66.7 -39.3 59.3 48.6 14.0 33 33 E E H X S+ 0 0 113 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.899 111.0 52.7 -64.9 -40.0 62.2 46.3 13.1 34 34 E C H X S+ 0 0 4 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.929 110.6 45.5 -61.4 -44.5 60.2 45.2 10.1 35 35 E R H X S+ 0 0 130 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.880 111.1 53.8 -69.0 -36.4 59.6 48.8 9.0 36 36 E R H X S+ 0 0 144 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.951 109.9 46.8 -63.4 -46.2 63.3 49.7 9.5 37 37 E E H X S+ 0 0 52 -4,-2.5 4,-0.7 1,-0.2 5,-0.5 0.877 111.0 51.8 -64.8 -33.9 64.4 46.8 7.3 38 38 E L H >< S+ 0 0 30 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.906 106.6 55.4 -66.2 -40.9 61.8 47.7 4.6 39 39 E A H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 99.4 59.8 -63.4 -31.2 63.2 51.3 4.7 40 40 E R H 3< S- 0 0 196 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.741 119.5-107.4 -71.1 -21.5 66.8 50.0 4.0 41 41 E G << - 0 0 44 -3,-1.0 -3,-0.1 -4,-0.7 6,-0.1 -0.017 36.8-155.2 129.9 -40.5 65.5 48.5 0.7 42 42 E A - 0 0 32 -5,-0.5 5,-0.1 4,-0.1 -4,-0.0 0.741 31.0 -90.3 33.1 136.3 65.3 44.7 0.6 43 43 E C > - 0 0 45 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.216 50.6 -97.5 -57.9 165.7 65.4 42.6 -2.6 44 44 E P H > S+ 0 0 118 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.822 123.5 49.5 -60.4 -34.7 61.9 42.0 -4.2 45 45 E E H > S+ 0 0 162 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.953 115.0 44.3 -67.8 -46.9 61.4 38.6 -2.6 46 46 E R H > S+ 0 0 96 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.821 110.2 57.6 -67.2 -32.3 62.3 39.9 0.8 47 47 E F H X S+ 0 0 82 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.908 107.1 44.7 -66.7 -43.6 60.2 43.0 0.3 48 48 E Q H X S+ 0 0 87 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.902 115.9 50.3 -66.6 -39.1 57.0 41.0 -0.4 49 49 E F H X S+ 0 0 51 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.952 111.8 46.3 -62.5 -50.6 57.9 38.8 2.6 50 50 E L H X S+ 0 0 1 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.849 110.3 53.0 -62.5 -37.4 58.5 41.8 4.9 51 51 E Q H X S+ 0 0 62 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.924 110.2 47.3 -65.8 -42.3 55.3 43.6 3.8 52 52 E Q H X S+ 0 0 19 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 113.1 50.4 -63.9 -40.7 53.2 40.5 4.6 53 53 E Q H X S+ 0 0 44 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 110.2 48.8 -63.4 -44.1 55.0 40.3 7.9 54 54 E A H X S+ 0 0 8 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.904 111.5 49.4 -61.9 -40.8 54.3 43.9 8.7 55 55 E R H X S+ 0 0 104 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.885 109.5 51.9 -68.4 -33.3 50.7 43.5 7.8 56 56 E A H X S+ 0 0 0 -4,-2.2 4,-2.3 74,-0.3 -2,-0.2 0.918 112.8 45.6 -65.1 -42.6 50.4 40.4 10.1 57 57 E L H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 112.5 49.3 -66.9 -44.6 51.9 42.4 13.0 58 58 E E H X S+ 0 0 81 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.881 111.7 51.5 -61.8 -38.2 49.7 45.4 12.3 59 59 E G H X S+ 0 0 5 -4,-2.3 4,-2.9 -5,-0.2 -2,-0.2 0.911 108.0 51.3 -64.1 -41.5 46.7 43.0 12.2 60 60 E G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.903 110.5 48.2 -59.9 -42.2 47.8 41.5 15.5 61 61 E L H X S+ 0 0 27 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.892 111.8 50.6 -65.7 -39.3 48.0 44.9 17.2 62 62 E G H X S+ 0 0 28 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.915 112.1 45.4 -67.1 -41.9 44.5 45.8 15.8 63 63 E I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.971 111.7 53.1 -66.3 -44.9 43.0 42.5 17.1 64 64 E L H X S+ 0 0 7 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.909 107.4 52.3 -55.7 -42.1 44.7 43.1 20.5 65 65 E S H X S+ 0 0 59 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.914 111.8 45.3 -60.4 -44.7 43.2 46.6 20.8 66 66 E Q H < S+ 0 0 54 -4,-1.8 3,-0.4 1,-0.2 -1,-0.2 0.865 111.7 52.2 -68.3 -35.7 39.8 45.2 20.1 67 67 E L H < S+ 0 0 36 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.817 119.4 35.1 -69.3 -27.9 40.2 42.3 22.5 68 68 E T H < S+ 0 0 67 -4,-1.8 2,-0.2 -5,-0.2 -1,-0.2 0.367 84.5 121.2-109.1 4.1 41.3 44.7 25.4 69 69 E E < 0 0 137 -4,-0.7 -3,-0.0 -3,-0.4 -4,-0.0 -0.533 360.0 360.0 -76.5 137.7 39.3 47.8 24.8 70 70 E D 0 0 172 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.941 360.0 360.0 -85.7 360.0 37.0 48.9 27.7 71 !* 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 72 54 F M 0 0 224 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.2 20.1 41.0 10.3 73 55 F H + 0 0 154 2,-0.1 2,-0.9 1,-0.1 0, 0.0 0.619 360.0 81.5 -82.4 -18.0 22.9 43.3 9.3 74 56 F K S S- 0 0 164 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.838 78.5-148.6 -92.1 109.3 24.5 43.4 12.8 75 57 F I - 0 0 80 -2,-0.9 -2,-0.1 1,-0.1 3,-0.1 -0.603 10.7-124.0 -82.6 135.6 26.5 40.1 12.9 76 58 F N > - 0 0 74 -2,-0.3 3,-1.0 1,-0.1 47,-0.1 -0.402 31.2 -99.9 -72.8 153.8 26.9 38.3 16.2 77 59 F K T 3 S+ 0 0 112 1,-0.3 45,-0.2 2,-0.1 -1,-0.1 -0.418 111.2 9.6 -63.6 149.4 30.4 37.5 17.5 78 60 F W T > S+ 0 0 9 43,-2.5 3,-1.6 1,-0.1 -1,-0.3 0.863 82.7 168.8 42.0 46.4 31.2 33.8 16.8 79 61 F S G X + 0 0 17 -3,-1.0 3,-1.8 75,-0.3 -1,-0.1 0.816 62.6 71.4 -60.9 -29.7 28.1 33.7 14.6 80 62 F V G 3 S+ 0 0 0 1,-0.3 -1,-0.3 70,-0.2 -2,-0.1 0.822 110.4 31.4 -58.6 -28.1 29.0 30.3 13.2 81 63 F I G X S+ 0 0 14 -3,-1.6 3,-2.4 3,-0.1 -1,-0.3 0.108 82.9 138.5-113.7 19.7 28.2 28.7 16.6 82 64 F Y T < S+ 0 0 122 -3,-1.8 3,-0.1 1,-0.3 -3,-0.1 -0.467 83.0 11.2 -62.1 130.4 25.5 31.1 17.7 83 65 F N T 3 S+ 0 0 120 1,-0.3 2,-0.4 -2,-0.2 -1,-0.3 0.588 96.5 125.8 77.7 0.6 22.9 28.7 19.3 84 66 F I < - 0 0 14 -3,-2.4 -1,-0.3 1,-0.1 -3,-0.1 -0.800 66.7-110.9 -91.2 141.4 25.2 25.7 19.3 85 67 F N > - 0 0 65 -2,-0.4 4,-2.4 126,-0.1 3,-0.2 -0.218 20.1-107.2 -75.9 168.1 25.4 24.3 22.8 86 68 F S H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.741 115.1 58.1 -63.9 -28.7 28.4 24.5 25.2 87 69 F T H > S+ 0 0 85 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 111.9 41.1 -67.7 -44.2 29.2 20.8 24.9 88 70 F V H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.923 116.1 48.5 -70.6 -44.1 29.6 21.0 21.1 89 71 F T H X S+ 0 0 20 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.861 108.3 55.7 -66.9 -31.5 31.4 24.4 21.2 90 72 F R H X S+ 0 0 138 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.911 107.7 48.3 -64.8 -41.9 33.8 23.0 23.9 91 73 F A H X S+ 0 0 9 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.924 112.1 50.2 -63.0 -42.0 34.7 20.0 21.6 92 74 F L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 110.5 49.3 -60.8 -43.1 35.3 22.6 18.8 93 75 F R H X S+ 0 0 82 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.901 106.5 56.3 -63.9 -37.3 37.5 24.7 21.2 94 76 F D H X S+ 0 0 104 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.932 110.0 45.2 -58.9 -46.0 39.4 21.6 22.1 95 77 F L H X S+ 0 0 8 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.905 112.5 51.6 -64.9 -41.7 40.2 20.9 18.4 96 78 F M H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.938 111.3 46.5 -61.5 -48.6 41.1 24.6 17.8 97 79 F Q H X S+ 0 0 36 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.868 106.3 59.1 -62.2 -35.9 43.5 24.7 20.7 98 80 F G H < S+ 0 0 32 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.867 109.1 45.2 -61.2 -34.7 45.1 21.4 19.6 99 81 F I H >< S+ 0 0 4 -4,-1.5 3,-0.9 -3,-0.3 -2,-0.2 0.947 115.0 46.1 -72.6 -48.1 46.0 23.1 16.2 100 82 F L H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.877 108.3 56.9 -63.3 -38.5 47.3 26.3 17.9 101 83 F Q T 3< S+ 0 0 102 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.644 97.7 63.5 -70.0 -13.9 49.4 24.3 20.5 102 84 F K T < 0 0 149 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.440 360.0 360.0 -88.7 1.0 51.2 22.5 17.7 103 85 F I < 0 0 24 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.1 0.918 360.0 360.0 -89.7 360.0 52.8 25.7 16.4 104 !* 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 0.0 105 2 G D 0 0 144 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.8 59.9 34.3 17.7 106 3 G T > + 0 0 85 0, 0.0 4,-1.7 0, 0.0 5,-0.1 -0.392 360.0 58.9 148.4 -36.1 57.9 31.1 17.5 107 4 G S H > S+ 0 0 59 2,-0.2 4,-2.0 3,-0.1 5,-0.1 0.901 110.4 41.8 -75.8 -43.2 56.4 32.2 20.7 108 5 G L H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.856 110.7 55.9 -71.8 -35.8 55.3 35.4 18.8 109 6 G I H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 110.7 46.5 -59.2 -43.5 54.2 33.3 15.7 110 7 G R H X S+ 0 0 63 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.911 111.9 50.3 -67.2 -40.1 51.9 31.3 18.1 111 8 G E H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.882 109.7 49.9 -66.5 -36.6 50.6 34.4 19.7 112 9 G L H X S+ 0 0 2 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.907 109.6 52.1 -67.4 -40.3 49.8 36.0 16.3 113 10 G A H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.890 112.1 46.6 -61.9 -38.7 48.0 32.8 15.3 114 11 G E H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.878 110.6 51.4 -69.5 -39.3 45.9 33.0 18.5 115 12 G L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.937 110.4 50.2 -61.0 -44.4 45.2 36.6 18.0 116 13 G A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.915 111.9 46.8 -61.2 -43.0 44.0 35.8 14.4 117 14 G L H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.955 114.6 46.1 -64.6 -47.5 41.7 33.0 15.6 118 15 G A H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.2 4,-0.2 0.935 115.1 49.1 -59.5 -44.5 40.2 35.2 18.5 119 16 G G H ><>S+ 0 0 0 -4,-3.0 5,-2.6 -5,-0.3 3,-1.3 0.802 97.9 66.7 -65.4 -29.8 39.9 38.0 16.0 120 17 G S H 3<5S+ 0 0 0 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.700 104.8 45.8 -64.9 -21.1 38.2 35.8 13.3 121 18 G G T <<5S+ 0 0 2 -3,-1.2 -43,-2.5 -4,-0.6 -1,-0.3 0.401 110.6 54.8-100.4 -1.2 35.2 35.5 15.7 122 19 G Q T < 5S- 0 0 13 -3,-1.3 -1,-0.2 -4,-0.2 -2,-0.1 -0.183 120.4 -93.3-126.9 41.4 35.1 39.2 16.6 123 20 G H T 5S+ 0 0 81 -3,-0.3 2,-0.9 1,-0.2 3,-0.3 0.614 85.8 127.5 63.9 16.2 34.8 40.8 13.2 124 21 G C >< + 0 0 8 -5,-2.6 4,-2.2 1,-0.2 -1,-0.2 -0.467 24.6 145.2 -99.5 65.1 38.6 41.4 12.6 125 22 G H H > + 0 0 36 -2,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.868 64.8 48.1 -72.2 -42.3 38.5 39.6 9.2 126 23 G E H > S+ 0 0 158 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.899 115.0 48.3 -63.8 -44.3 41.1 41.7 7.3 127 24 G E H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.942 111.6 48.4 -61.0 -46.5 43.5 41.3 10.2 128 25 G A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.911 110.7 52.3 -61.5 -42.9 43.0 37.6 10.6 129 26 G L H X S+ 0 0 73 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.892 106.1 52.2 -61.2 -45.0 43.5 37.1 6.8 130 27 G C H X S+ 0 0 36 -4,-2.1 4,-1.9 1,-0.2 -74,-0.3 0.900 112.2 48.0 -59.1 -38.5 46.8 39.0 6.8 131 28 G I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.923 109.1 51.9 -70.1 -39.4 48.0 36.7 9.6 132 29 G A H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.908 109.1 50.4 -61.8 -43.0 46.8 33.6 7.9 133 30 G E H X S+ 0 0 69 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.943 112.2 47.5 -60.7 -45.5 48.7 34.5 4.7 134 31 G W H X S+ 0 0 5 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.918 108.9 54.0 -62.1 -43.0 51.9 35.2 6.7 135 32 G L H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.2 0.868 106.7 53.1 -59.8 -36.5 51.4 31.8 8.6 136 33 G E H ><5S+ 0 0 58 -4,-2.0 3,-1.7 1,-0.2 -1,-0.2 0.922 104.6 53.9 -66.7 -39.5 51.3 30.1 5.2 137 34 G R H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.5 49.2 -59.5 -30.7 54.6 31.7 4.2 138 35 G L T 3<5S- 0 0 62 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.416 121.1-109.5 -87.8 -1.4 56.0 30.2 7.4 139 36 G G T < 5S+ 0 0 50 -3,-1.7 2,-1.6 -4,-0.2 3,-0.3 0.549 78.3 130.8 87.9 8.1 54.6 26.8 6.7 140 37 G Q >< + 0 0 60 -5,-2.9 4,-2.3 1,-0.2 5,-0.2 -0.464 24.1 153.4 -93.6 65.1 51.9 26.8 9.4 141 38 G D H > + 0 0 71 -2,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.866 63.0 51.4 -64.4 -44.4 49.3 25.6 6.9 142 39 G E H > S+ 0 0 39 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.942 114.3 44.5 -62.1 -47.0 46.9 23.9 9.3 143 40 G A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.903 114.0 49.6 -63.8 -40.6 46.7 26.9 11.6 144 41 G A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.921 111.1 50.3 -62.7 -41.0 46.3 29.3 8.6 145 42 G R H X S+ 0 0 53 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.914 108.3 52.3 -64.3 -46.0 43.5 27.1 7.2 146 43 G L H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.932 112.2 46.0 -51.6 -49.3 41.7 27.0 10.5 147 44 G I H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.941 112.2 49.8 -64.1 -45.2 41.8 30.9 10.6 148 45 G R H X S+ 0 0 47 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.930 114.8 44.9 -57.6 -49.8 40.7 31.3 7.0 149 46 G I H X S+ 0 0 0 -4,-2.8 4,-3.3 2,-0.2 5,-0.3 0.928 113.7 48.0 -64.0 -44.5 37.8 28.9 7.6 150 47 G S H X S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 -2,-0.2 0.928 112.9 49.4 -62.1 -44.1 36.7 30.4 10.9 151 48 G S H X S+ 0 0 8 -4,-2.7 4,-0.7 -5,-0.2 6,-0.2 0.937 115.2 43.4 -63.0 -46.1 36.9 34.0 9.4 152 49 G L H ><>S+ 0 0 26 -4,-2.4 5,-2.4 -5,-0.2 3,-0.9 0.951 116.0 46.8 -65.7 -47.1 34.8 33.0 6.4 153 50 G A H ><5S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.3 -2,-0.2 0.903 110.2 53.3 -63.4 -39.6 32.3 31.0 8.3 154 51 G N H 3<5S+ 0 0 4 -4,-2.9 -75,-0.3 -5,-0.3 -1,-0.3 0.648 106.7 53.2 -71.5 -13.4 31.9 33.8 10.9 155 52 G Q T <<5S- 0 0 63 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.424 120.8-110.9 -92.6 -3.0 31.2 36.2 8.1 156 53 G G T < 5S+ 0 0 31 -3,-1.5 2,-1.8 -4,-0.3 3,-0.2 0.573 77.3 136.4 82.7 10.5 28.4 33.9 6.8 157 54 G R >< + 0 0 97 -5,-2.4 4,-1.9 -6,-0.2 -1,-0.2 -0.486 19.4 156.4 -90.5 67.2 30.5 33.1 3.7 158 55 G Y H > + 0 0 42 -2,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.814 62.7 52.9 -63.3 -42.0 29.7 29.4 4.0 159 56 G Q H > S+ 0 0 128 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.889 110.5 48.1 -64.6 -41.3 30.3 28.3 0.4 160 57 G E H >4 S+ 0 0 94 2,-0.2 3,-0.8 1,-0.2 4,-0.5 0.910 111.1 50.5 -67.6 -38.5 33.8 29.9 0.3 161 58 G A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.2 4,-0.2 0.927 108.3 55.1 -63.1 -37.9 34.7 28.2 3.6 162 59 G L H >X S+ 0 0 18 -4,-2.2 3,-1.4 1,-0.3 4,-0.6 0.656 85.1 79.1 -71.7 -14.7 33.4 24.9 2.1 163 60 G A G X< S+ 0 0 61 -4,-0.8 3,-0.6 -3,-0.8 -1,-0.3 0.852 91.3 57.2 -60.4 -26.6 35.7 25.2 -0.9 164 61 G F G <4 S+ 0 0 56 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.641 87.3 76.4 -78.6 -13.0 38.4 23.9 1.6 165 62 G A G X4 + 0 0 18 -3,-1.4 3,-2.1 -4,-0.2 2,-0.4 0.843 68.2 101.6 -65.6 -34.1 36.4 20.7 2.4 166 63 G H T << S- 0 0 164 -3,-0.6 -3,-0.0 -4,-0.6 0, 0.0 -0.395 110.2 -14.9 -53.5 105.8 37.4 19.1 -1.0 167 64 G G T 3 S- 0 0 76 -2,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.565 89.0-172.6 72.0 9.4 40.2 16.6 -0.1 168 65 G N < - 0 0 25 -3,-2.1 -1,-0.2 1,-0.2 -3,-0.1 -0.054 11.3-165.7 -39.7 120.4 40.6 18.3 3.3 169 66 G P + 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.542 66.4 74.2 -91.2 -4.9 43.7 16.6 4.9 170 67 G W > - 0 0 61 1,-0.1 3,-2.3 -28,-0.0 4,-0.4 -0.872 59.3-165.5-115.0 100.4 43.1 17.9 8.5 171 68 G P G > S+ 0 0 80 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.797 85.1 69.0 -53.6 -30.4 40.4 16.1 10.4 172 69 G A G 3 S+ 0 0 13 1,-0.3 4,-0.2 2,-0.1 -73,-0.1 0.635 95.9 56.6 -64.5 -15.2 40.3 18.7 13.1 173 70 G L G X> S+ 0 0 0 -3,-2.3 3,-1.3 1,-0.1 4,-1.0 0.623 81.7 89.9 -88.2 -14.8 38.8 21.1 10.5 174 71 G E H <> S+ 0 0 33 -3,-1.6 4,-2.0 -4,-0.4 3,-0.4 0.814 76.2 62.2 -53.6 -40.6 35.9 18.9 9.7 175 72 G P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.856 99.4 57.0 -54.7 -36.4 33.5 20.3 12.3 176 73 G W H <> S+ 0 0 1 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.888 105.9 48.9 -62.2 -39.8 33.7 23.7 10.5 177 74 G F H X S+ 0 0 0 -4,-1.0 4,-2.5 -3,-0.4 5,-0.2 0.910 109.9 51.4 -67.9 -40.6 32.5 22.1 7.3 178 75 G A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.932 110.6 50.0 -57.1 -44.7 29.5 20.4 9.1 179 76 G L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.909 110.6 49.6 -62.7 -40.4 28.6 23.9 10.6 180 77 G C H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.906 111.0 48.4 -63.2 -45.3 28.7 25.5 7.1 181 78 G E H <>S+ 0 0 14 -4,-2.5 5,-2.6 2,-0.2 4,-0.3 0.906 110.3 54.1 -61.3 -41.7 26.5 22.7 5.7 182 79 G W H ><5S+ 0 0 74 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.955 110.0 44.2 -58.6 -51.8 24.1 23.3 8.7 183 80 G H H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.755 112.1 54.0 -68.6 -22.1 23.8 27.1 8.1 184 81 G L T 3<5S- 0 0 64 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.413 113.9-120.0 -88.1 1.0 23.4 26.4 4.3 185 82 G G T < 5 + 0 0 63 -3,-1.7 2,-2.2 -4,-0.3 3,-0.2 0.688 61.6 149.8 69.8 18.6 20.5 24.0 5.1 186 83 G L >< + 0 0 71 -5,-2.6 4,-2.6 -6,-0.2 5,-0.2 -0.455 15.9 169.1 -82.3 70.6 22.3 21.1 3.4 187 84 G G H > + 0 0 38 -2,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.849 68.3 43.8 -54.5 -45.8 20.7 18.5 5.7 188 85 G A H > S+ 0 0 61 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.880 114.4 49.1 -72.4 -37.8 21.8 15.3 4.0 189 86 G A H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.939 112.3 50.8 -64.9 -44.6 25.4 16.4 3.4 190 87 G L H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.929 109.6 50.1 -55.6 -48.4 25.5 17.4 7.1 191 88 G D H X S+ 0 0 69 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.880 110.5 48.6 -62.1 -39.8 24.2 14.0 8.2 192 89 G R H X S+ 0 0 170 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.923 112.4 48.5 -66.4 -44.5 26.8 12.1 6.1 193 90 G R H X S+ 0 0 49 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.965 113.4 47.0 -60.1 -49.7 29.6 14.2 7.4 194 91 G L H X S+ 0 0 2 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.937 110.0 53.1 -58.1 -43.6 28.5 13.8 11.0 195 92 G A H X S+ 0 0 58 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.903 110.5 49.0 -58.7 -38.8 28.1 10.0 10.5 196 93 G G H >< S+ 0 0 57 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.955 110.6 48.1 -65.3 -47.9 31.6 9.9 9.2 197 94 G L H >< S+ 0 0 16 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 0.763 93.5 81.0 -64.1 -25.3 33.1 11.9 12.1 198 95 G G H 3< S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 93.2 46.2 -50.9 -38.5 31.2 9.6 14.5 199 96 G G T << S+ 0 0 73 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.277 83.1 135.8 -91.2 13.2 33.8 6.9 14.3 200 97 G S < - 0 0 33 -3,-2.3 6,-0.1 1,-0.1 -3,-0.0 -0.273 55.4-141.4 -60.8 146.7 36.9 9.2 14.7 201 98 G S S S+ 0 0 124 4,-0.1 -1,-0.1 5,-0.1 3,-0.1 0.630 85.7 88.0 -82.7 -12.6 39.7 8.1 17.0 202 99 G D S >> S- 0 0 59 1,-0.2 4,-2.4 2,-0.0 3,-0.6 -0.767 73.7-151.5 -85.4 113.5 40.0 11.7 18.1 203 100 G P H 3> S+ 0 0 87 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.850 93.1 57.2 -57.2 -31.6 37.5 12.0 21.0 204 101 G A H 3> S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.909 109.2 45.0 -67.3 -37.6 36.9 15.7 20.4 205 102 G L H <> S+ 0 0 2 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.932 115.0 47.7 -69.0 -45.3 35.9 15.0 16.8 206 103 G A H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.915 115.0 45.7 -62.2 -41.5 33.7 12.1 17.8 207 104 G D H X S+ 0 0 98 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.863 110.5 53.1 -71.1 -37.6 32.1 14.2 20.6 208 105 G F H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.951 112.8 45.4 -60.1 -45.4 31.6 17.2 18.4 209 106 G A H X S+ 0 0 3 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.938 115.0 44.9 -63.0 -49.5 29.7 14.9 15.8 210 107 G A H X S+ 0 0 63 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.919 116.1 48.9 -61.8 -43.9 27.6 13.1 18.4 211 108 G G H X S+ 0 0 15 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.931 112.5 45.2 -65.4 -41.3 26.8 16.4 20.1 212 109 G M H X S+ 0 0 0 -4,-2.7 4,-3.0 -5,-0.2 5,-0.4 0.923 112.7 51.6 -70.8 -37.6 25.8 18.3 17.0 213 110 G R H X S+ 0 0 93 -4,-2.4 4,-3.4 -5,-0.2 -1,-0.2 0.944 111.6 48.7 -60.2 -45.2 23.7 15.4 15.7 214 111 G A H < S+ 0 0 76 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.891 117.5 39.3 -63.2 -39.5 21.9 15.3 19.0 215 112 G Q H < S+ 0 0 72 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.854 128.4 32.1 -79.9 -30.1 21.3 19.0 19.0 216 113 G V H < 0 0 42 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.792 360.0 360.0 -95.9 -37.8 20.5 19.3 15.3 217 114 G R < 0 0 95 -4,-3.4 -1,-0.0 -5,-0.4 0, 0.0 -0.720 360.0 360.0 -89.3 360.0 18.9 16.0 14.4