==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-NOV-06 2NR7 . COMPND 2 MOLECULE: SECRETION ACTIVATOR PROTEIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR K.TAN,L.BIGELOW,M.GU,A.JOACHIMIAK,MIDWEST CENTER FOR STRUCTU . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.1 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 . 7 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 45.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 5.2 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 2 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 N 0 0 173 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 21.3 56.4 11.6 12.6 2 0 A A - 0 0 82 83,-0.1 2,-0.3 1,-0.1 0, 0.0 -0.427 360.0-147.4 -66.9 137.9 52.7 11.1 12.2 3 1 A X - 0 0 73 -2,-0.1 82,-0.2 1,-0.1 80,-0.1 -0.747 24.6 -91.7-105.2 154.2 50.8 14.0 10.5 4 2 A A - 0 0 6 80,-2.9 2,-0.5 77,-0.4 80,-0.1 -0.310 39.5-141.4 -57.4 150.9 47.3 15.3 11.1 5 3 A N >> - 0 0 68 1,-0.1 3,-1.8 0, 0.0 4,-0.6 -0.974 10.3-151.5-126.5 117.5 44.7 13.7 8.8 6 4 A V H >> S+ 0 0 6 -2,-0.5 4,-1.9 1,-0.3 3,-1.2 0.808 93.8 71.0 -57.0 -29.8 41.8 15.7 7.2 7 5 A K H 34 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.763 93.3 55.6 -61.2 -24.9 39.7 12.5 7.2 8 6 A L H <4 S+ 0 0 99 -3,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.723 108.4 46.8 -81.6 -21.5 39.4 12.7 11.0 9 7 A L H XX S+ 0 0 0 -3,-1.2 4,-1.7 -4,-0.6 3,-0.9 0.810 95.5 76.8 -83.2 -34.5 38.0 16.2 11.0 10 8 A L H 3X S+ 0 0 17 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.843 88.4 54.4 -46.6 -50.0 35.4 15.5 8.2 11 9 A P H 3> S+ 0 0 77 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.866 108.9 50.5 -58.0 -34.4 32.8 13.6 10.3 12 10 A Y H <> S+ 0 0 3 -3,-0.9 4,-1.9 -4,-0.3 5,-0.3 0.915 111.4 46.5 -68.1 -46.9 32.7 16.5 12.8 13 11 A I H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.950 116.1 45.5 -57.8 -50.2 32.1 19.1 10.1 14 12 A L H X>S+ 0 0 40 -4,-2.8 4,-2.1 1,-0.2 5,-0.5 0.902 108.8 57.3 -62.0 -43.3 29.4 16.9 8.4 15 13 A K H X5S+ 0 0 103 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.927 116.7 32.1 -51.0 -53.2 27.7 16.1 11.8 16 14 A W H <5S+ 0 0 33 -4,-1.9 21,-2.1 2,-0.2 -2,-0.2 0.823 118.5 50.6 -84.6 -32.5 27.1 19.8 12.6 17 15 A E H <5S+ 0 0 12 -4,-2.5 21,-0.2 -5,-0.3 -1,-0.2 0.836 124.2 29.5 -70.1 -33.6 26.6 21.3 9.2 18 16 A G H <5S- 0 0 6 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.816 82.8-149.3 -95.3 -38.0 24.0 18.7 8.2 19 17 A G << + 0 0 8 -4,-1.9 15,-2.7 -5,-0.5 2,-0.2 0.613 49.4 143.6 70.4 16.2 22.4 17.7 11.5 20 18 A F E -A 33 0A 68 -6,-0.4 2,-0.3 13,-0.2 -1,-0.2 -0.565 30.9-178.8 -89.5 146.8 21.9 14.2 10.1 21 19 A V E -A 32 0A 95 11,-2.4 11,-3.5 -2,-0.2 2,-0.4 -0.968 18.5-140.0-132.1 153.6 22.0 10.8 11.7 22 20 A H E -A 31 0A 127 -2,-0.3 9,-0.2 9,-0.2 8,-0.1 -0.946 9.0-131.2-117.5 133.4 21.5 7.5 9.9 23 21 A D - 0 0 66 7,-2.8 5,-0.1 -2,-0.4 2,-0.0 -0.397 45.2 -96.0 -62.3 150.5 19.7 4.4 11.1 24 22 A P > > - 0 0 92 0, 0.0 3,-1.8 0, 0.0 5,-1.8 -0.353 42.8 -96.4 -67.9 163.7 21.8 1.3 10.6 25 23 A A G > 5S+ 0 0 93 1,-0.3 3,-1.7 3,-0.2 -2,-0.1 0.802 118.6 55.6 -50.6 -44.2 21.1 -0.7 7.3 26 24 A D G 3 5S+ 0 0 160 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.542 103.0 57.4 -75.0 -5.1 18.7 -3.4 8.7 27 25 A A G < 5S- 0 0 63 -3,-1.8 -1,-0.3 3,-0.0 3,-0.2 0.360 134.3 -87.8 -97.9 1.7 16.3 -0.7 10.0 28 26 A G T < 5 - 0 0 65 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.2 0.311 49.7-108.5 106.3 -5.8 16.0 0.7 6.6 29 27 A G < - 0 0 29 -5,-1.8 -4,-0.2 1,-0.2 -1,-0.1 0.693 53.2-178.5 57.9 24.2 19.0 3.1 6.9 30 28 A A - 0 0 44 -6,-0.2 -7,-2.8 -3,-0.2 2,-0.5 -0.249 25.4-131.5 -60.7 136.4 16.9 6.2 7.0 31 29 A T E -A 22 0A 78 -9,-0.2 2,-0.4 -11,-0.1 -9,-0.2 -0.817 26.3-165.5 -83.8 126.3 18.6 9.5 7.3 32 30 A N E -A 21 0A 69 -11,-3.5 -11,-2.4 -2,-0.5 2,-0.4 -0.913 8.7-142.5-118.4 139.0 17.0 11.6 10.0 33 31 A K E +A 20 0A 114 -2,-0.4 -13,-0.2 -13,-0.2 2,-0.1 -0.875 36.3 134.6-107.8 133.4 17.5 15.3 10.5 34 32 A G + 0 0 47 -15,-2.7 -14,-0.1 -2,-0.4 2,-0.0 -0.351 53.2 13.7-140.2-135.1 17.8 16.9 13.9 35 33 A V - 0 0 114 -2,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.280 63.6-173.3 -57.3 126.0 20.0 19.5 15.8 36 34 A T + 0 0 54 -3,-0.1 2,-0.2 -18,-0.1 -19,-0.2 -0.972 20.5 179.5-125.9 132.4 22.1 21.4 13.3 37 35 A I - 0 0 21 -21,-2.1 2,-0.4 -2,-0.4 -19,-0.1 -0.685 16.9-175.8-130.9 76.5 24.8 24.0 14.1 38 36 A A + 0 0 27 -2,-0.2 -21,-0.1 -21,-0.2 -2,-0.1 -0.633 13.6 165.1 -77.6 124.0 26.0 25.0 10.6 39 37 A T >> + 0 0 8 -2,-0.4 3,-2.8 -26,-0.1 4,-0.6 0.458 20.9 135.9-118.4 -5.0 28.9 27.4 10.8 40 38 A W T 34 S- 0 0 16 1,-0.3 59,-0.2 2,-0.2 58,-0.1 -0.273 95.6 -19.8 -57.1 113.9 30.4 27.5 7.3 41 39 A K T 34 S+ 0 0 59 57,-2.3 -1,-0.3 -2,-0.2 4,-0.2 0.691 120.9 100.9 62.4 21.7 31.1 31.2 6.5 42 40 A R T <4 + 0 0 141 -3,-2.8 2,-0.8 56,-0.2 -2,-0.2 0.489 51.4 80.0-113.3 -8.7 28.7 32.1 9.3 43 41 A V S < S- 0 0 5 56,-2.6 3,-0.2 -4,-0.6 -1,-0.1 -0.676 125.1 -55.4-115.3 78.6 30.7 33.0 12.4 44 42 A G S S- 0 0 34 -2,-0.8 59,-0.2 1,-0.2 -1,-0.1 0.888 85.3-164.5 55.9 39.7 31.9 36.5 12.1 45 43 A Y - 0 0 44 54,-0.2 2,-0.6 -4,-0.2 56,-0.2 -0.324 22.9-162.0 -70.4 130.0 33.5 35.3 8.8 46 44 A D B -b 101 0B 53 54,-1.8 56,-2.1 -3,-0.2 57,-0.1 -0.962 4.8-165.5-106.2 114.0 36.1 37.3 7.0 47 45 A K > + 0 0 138 -2,-0.6 3,-2.3 54,-0.2 5,-0.3 0.518 40.7 132.0 -79.8 -5.6 36.2 36.0 3.5 48 46 A D T 3 S- 0 0 91 1,-0.3 54,-0.1 2,-0.1 -2,-0.1 -0.232 82.8 -0.1 -55.4 126.0 39.5 37.6 2.5 49 47 A G T 3 S+ 0 0 57 1,-0.1 -1,-0.3 52,-0.1 -2,-0.1 0.589 91.9 126.7 74.2 14.2 41.8 35.1 0.9 50 48 A D S X S- 0 0 7 -3,-2.3 3,-0.6 1,-0.1 -2,-0.1 0.513 75.2-119.2 -84.1 -2.9 39.3 32.2 1.1 51 49 A G T 3 - 0 0 50 -4,-0.2 -3,-0.1 1,-0.2 -1,-0.1 0.435 43.1 -97.8 81.0 -1.0 39.3 31.3 -2.6 52 50 A D T 3 + 0 0 130 -5,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.861 62.6 170.8 56.5 37.9 35.6 32.0 -3.1 53 51 A I < + 0 0 28 -3,-0.6 2,-0.3 21,-0.1 -1,-0.2 -0.702 7.6 158.9 -76.9 127.3 34.6 28.4 -2.7 54 52 A D - 0 0 113 -2,-0.5 2,-0.3 3,-0.0 3,-0.1 -0.991 23.3-173.3-145.8 150.3 30.8 28.1 -2.5 55 53 A V - 0 0 32 -2,-0.3 3,-0.3 1,-0.1 6,-0.0 -0.941 34.7-120.3-133.7 157.6 28.2 25.5 -3.1 56 54 A E S S- 0 0 194 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.926 98.1 -5.7 -61.1 -46.1 24.4 26.0 -3.0 57 55 A D > - 0 0 49 1,-0.1 3,-2.0 -3,-0.1 -1,-0.3 -0.829 54.0-156.2-157.4 109.8 24.0 23.5 -0.2 58 56 A L G > S+ 0 0 18 1,-0.3 3,-1.8 -3,-0.3 8,-0.1 0.803 94.3 69.0 -53.9 -30.9 26.6 21.3 1.4 59 57 A K G 3 S+ 0 0 84 1,-0.3 -1,-0.3 -42,-0.1 -41,-0.0 0.678 93.3 57.9 -66.0 -17.4 23.9 18.9 2.5 60 58 A L G < S+ 0 0 138 -3,-2.0 -1,-0.3 2,-0.1 2,-0.3 0.407 93.9 83.9 -93.9 -0.2 23.3 17.9 -1.1 61 59 A L S < S- 0 0 61 -3,-1.8 2,-0.1 -4,-0.2 -6,-0.0 -0.701 83.9-106.2 -98.2 156.9 26.8 16.7 -1.8 62 60 A T > - 0 0 84 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.369 33.9-111.1 -68.1 157.8 28.4 13.4 -1.1 63 61 A D H > S+ 0 0 93 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.916 119.9 54.0 -54.8 -45.8 30.9 13.2 1.9 64 62 A D H > S+ 0 0 103 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.886 108.1 48.7 -59.5 -41.6 33.7 12.6 -0.6 65 63 A D H >>S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 5,-0.6 0.906 110.6 50.5 -67.4 -39.5 32.8 15.8 -2.5 66 64 A V H X>S+ 0 0 2 -4,-2.4 5,-2.9 3,-0.2 4,-1.2 0.954 117.9 41.0 -59.6 -46.0 32.6 17.8 0.7 67 65 A L H <>S+ 0 0 4 -4,-2.8 5,-2.7 3,-0.2 -2,-0.2 0.963 123.6 33.8 -64.5 -57.2 36.1 16.5 1.6 68 66 A N H <5S+ 0 0 92 -4,-3.3 -3,-0.2 1,-0.2 -1,-0.2 0.762 127.9 33.1 -76.8 -29.3 37.9 16.6 -1.7 69 67 A R H <5S+ 0 0 170 -4,-2.2 -3,-0.2 -5,-0.3 -1,-0.2 0.642 133.3 10.9-106.2 -14.6 36.3 19.7 -3.3 70 68 A V T XXS+ 0 0 0 -5,-2.9 5,-2.6 3,-0.2 4,-1.5 0.923 118.5 38.7 -61.9 -52.7 37.1 21.1 3.1 72 70 A K H 4XS+ 0 0 48 -5,-2.7 5,-2.9 -6,-0.3 6,-0.3 0.977 120.4 39.1 -68.5 -55.5 40.5 19.9 2.2 73 71 A P H 45S+ 0 0 51 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.882 127.8 30.0 -62.8 -36.5 41.6 22.2 -0.6 74 72 A F H <5S+ 0 0 65 -4,-1.7 -3,-0.2 3,-0.1 -2,-0.2 0.658 134.9 15.8-102.1 -14.2 40.2 25.5 0.8 75 73 A Y T X5S+ 0 0 0 -4,-1.5 4,-1.0 -5,-0.4 -3,-0.2 0.720 125.6 40.3-124.5 -60.0 40.3 25.0 4.6 76 74 A W T >4XS+ 0 0 0 -5,-2.6 5,-2.1 1,-0.2 3,-0.9 0.945 121.0 44.8 -61.6 -49.9 42.5 22.2 5.8 77 75 A D G >4 < + 0 0 0 -5,-2.1 3,-1.6 1,-0.3 -77,-0.4 0.672 58.9 75.4 -70.0 -15.4 47.5 21.1 8.1 82 80 A D G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -6,-0.1 -2,-0.1 0.704 100.2 48.1 -61.5 -19.8 49.0 18.1 6.4 83 81 A L G < S+ 0 0 99 -3,-2.5 2,-0.5 -80,-0.1 -1,-0.3 0.347 87.0 101.8-101.0 2.8 52.2 19.4 8.0 84 82 A I < - 0 0 0 -3,-1.6 -80,-2.9 1,-0.1 6,-0.1 -0.793 58.5-159.0 -89.8 126.1 50.7 19.9 11.5 85 83 A E S S+ 0 0 100 -2,-0.5 2,-0.6 -82,-0.2 -1,-0.1 0.696 71.2 72.3 -82.6 -19.2 51.7 17.0 13.7 86 84 A S > - 0 0 22 1,-0.2 4,-2.5 -82,-0.1 5,-0.2 -0.879 65.4-157.3-100.5 116.8 49.0 17.2 16.3 87 85 A Q H > S+ 0 0 46 -2,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.908 93.5 49.7 -54.9 -48.6 45.5 16.1 15.0 88 86 A K H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.879 110.0 50.6 -66.3 -37.3 43.6 18.1 17.7 89 87 A V H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.953 112.7 46.3 -62.5 -48.3 45.6 21.3 16.9 90 88 A A H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.929 111.4 53.8 -58.0 -43.4 44.9 20.9 13.2 91 89 A N H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.935 111.6 42.8 -57.8 -49.3 41.2 20.2 13.9 92 90 A I H X S+ 0 0 0 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.859 116.6 46.9 -72.7 -32.9 40.6 23.3 16.0 93 91 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.940 114.8 45.1 -69.8 -49.3 42.6 25.6 13.7 94 92 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.929 111.8 52.4 -64.6 -42.9 40.9 24.4 10.5 95 93 A D H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.848 105.3 56.3 -61.0 -32.8 37.5 24.5 12.0 96 94 A W H X S+ 0 0 1 -4,-1.2 4,-3.1 2,-0.2 5,-0.4 0.934 109.0 45.5 -63.7 -44.9 38.1 28.1 13.1 97 95 A V H X S+ 0 0 0 -4,-1.9 4,-2.3 7,-0.3 -2,-0.2 0.902 108.1 58.4 -64.5 -37.7 38.8 29.0 9.4 98 96 A W H < S+ 0 0 0 -4,-2.5 -57,-2.3 1,-0.2 -1,-0.2 0.906 119.8 28.5 -54.7 -46.7 35.7 27.0 8.3 99 97 A G H < S+ 0 0 1 -4,-2.0 -56,-2.6 -59,-0.2 -54,-0.2 0.846 138.0 20.0 -82.9 -36.6 33.5 29.2 10.5 100 98 A S H >< S- 0 0 2 -4,-3.1 -54,-1.8 1,-0.3 3,-1.2 0.399 82.7-153.3-126.1 -3.2 35.3 32.5 10.7 101 99 A G B >< S+b 46 0B 0 -4,-2.3 3,-2.0 -5,-0.4 -1,-0.3 -0.378 76.0 11.6 72.0-132.9 37.7 32.7 7.7 102 100 A K T >> S+ 0 0 53 -56,-2.1 4,-2.7 1,-0.3 3,-1.9 0.768 119.2 68.9 -59.2 -27.8 40.8 34.9 8.1 103 101 A Y H <> S+ 0 0 96 -3,-1.2 4,-1.9 1,-0.3 -1,-0.3 0.843 90.4 63.3 -57.9 -31.4 40.3 35.3 11.9 104 102 A G H <4 S+ 0 0 0 -3,-2.0 -7,-0.3 -8,-0.3 -1,-0.3 0.468 113.5 34.3 -75.3 -3.0 41.1 31.6 12.2 105 103 A I H <> S+ 0 0 0 -3,-1.9 4,-2.3 -4,-0.2 -2,-0.2 0.701 117.8 47.1-107.2 -51.4 44.6 32.4 10.9 106 104 A V H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 -3,-0.2 0.867 111.8 49.0 -66.7 -35.3 45.4 35.9 12.3 107 105 A I H X S+ 0 0 39 -4,-1.9 4,-2.3 -5,-0.3 3,-0.2 0.967 112.6 47.7 -70.6 -49.8 44.3 35.2 15.9 108 106 A P H > S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.876 108.0 57.0 -53.4 -37.8 46.3 32.0 16.1 109 107 A Q H X>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 4,-0.8 0.925 107.0 48.5 -59.1 -39.7 49.3 33.9 14.6 110 108 A R H ><5S+ 0 0 145 -4,-1.9 3,-0.9 -3,-0.2 -1,-0.2 0.932 110.7 50.7 -63.2 -45.8 49.0 36.4 17.5 111 109 A I H 3<5S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.894 112.0 47.9 -56.2 -41.8 48.8 33.5 20.0 112 110 A L H 3<5S- 0 0 35 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.566 112.4-120.8 -77.8 -14.3 52.0 32.0 18.4 113 111 A G T <<5S+ 0 0 69 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.792 70.3 125.1 75.5 31.0 53.9 35.3 18.5 114 112 A V S - 0 0 28 -2,-1.5 4,-2.4 1,-0.0 5,-0.2 -0.331 57.8 -78.4 -99.4-173.2 54.0 30.2 5.9 122 120 A N H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 128.1 54.4 -54.7 -43.7 56.9 28.2 7.2 123 121 A K H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 109.9 47.0 -63.7 -39.3 57.4 30.4 10.3 124 122 A T H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.940 114.2 46.9 -64.2 -47.2 53.7 30.0 11.3 125 123 A L H X S+ 0 0 13 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.889 110.3 53.1 -61.5 -40.4 53.9 26.2 10.9 126 124 A Q H X S+ 0 0 113 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.900 109.7 48.8 -59.5 -43.3 57.2 26.0 12.8 127 125 A A H X S+ 0 0 23 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.905 109.7 51.7 -67.0 -41.7 55.6 27.8 15.6 128 126 A V H < S+ 0 0 6 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.951 115.7 40.2 -58.0 -50.0 52.5 25.5 15.6 129 127 A N H < S+ 0 0 52 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.754 109.8 58.6 -76.0 -24.3 54.6 22.4 15.8 130 128 A S H < S+ 0 0 99 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.830 92.4 86.3 -71.1 -33.9 57.2 23.7 18.2 131 129 A A S < S- 0 0 33 -4,-1.6 3,-0.0 -3,-0.3 -19,-0.0 -0.254 97.6 -96.3 -62.8 153.3 54.5 24.4 20.8 132 130 A D > - 0 0 78 1,-0.1 4,-2.8 2,-0.0 5,-0.2 -0.590 36.5-136.9 -63.4 125.0 53.3 21.7 23.3 133 131 A P H > S+ 0 0 56 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.881 99.5 47.1 -58.3 -42.2 50.2 20.4 21.5 134 132 A D H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.931 114.8 46.0 -65.7 -45.7 48.0 20.2 24.6 135 133 A E H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.929 114.9 47.2 -59.9 -47.4 49.0 23.7 25.7 136 134 A L H X S+ 0 0 10 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.932 109.8 52.6 -63.8 -43.6 48.5 25.1 22.3 137 135 A F H X S+ 0 0 5 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.926 111.8 47.0 -55.3 -46.1 45.1 23.4 21.8 138 136 A E H X S+ 0 0 75 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.883 111.1 50.8 -67.0 -36.8 43.9 24.9 25.1 139 137 A S H X S+ 0 0 52 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.914 112.5 46.6 -67.3 -40.6 45.2 28.4 24.2 140 138 A I H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.935 111.3 52.1 -64.2 -41.4 43.4 28.2 20.9 141 139 A F H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.921 109.0 50.4 -61.2 -43.7 40.2 26.9 22.7 142 140 A D H X S+ 0 0 78 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 112.7 47.0 -55.3 -47.9 40.4 29.9 25.1 143 141 A A H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.822 109.1 53.5 -69.2 -32.1 40.7 32.3 22.2 144 142 A R H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 109.7 48.0 -70.5 -41.5 37.8 30.6 20.3 145 143 A R H X S+ 0 0 108 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.941 112.7 50.0 -56.8 -48.3 35.6 31.0 23.3 146 144 A E H X S+ 0 0 113 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.899 110.4 50.0 -57.5 -43.9 36.7 34.7 23.5 147 145 A F H X S+ 0 0 15 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.931 111.0 47.3 -62.2 -47.7 36.0 35.2 19.8 148 146 A L H X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.919 115.8 45.8 -62.4 -42.5 32.5 33.8 20.0 149 147 A E H X S+ 0 0 94 -4,-2.5 4,-3.0 -5,-0.2 -1,-0.2 0.906 113.0 51.0 -65.3 -41.0 31.7 35.9 23.1 150 148 A D H X S+ 0 0 73 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.932 110.2 46.4 -66.3 -45.5 33.3 39.0 21.5 151 149 A I H X S+ 0 0 22 -4,-2.8 4,-1.5 2,-0.2 26,-0.3 0.820 114.9 49.7 -70.0 -25.4 31.3 38.9 18.3 152 150 A T H X S+ 0 0 4 -4,-1.4 4,-2.5 -5,-0.3 25,-0.2 0.957 111.0 47.4 -72.4 -48.7 28.2 38.2 20.3 153 151 A A H X S+ 0 0 57 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.902 114.2 48.4 -58.2 -42.2 28.8 41.1 22.7 154 152 A R H X S+ 0 0 148 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.871 110.1 51.0 -68.1 -36.4 29.5 43.4 19.7 155 153 A S H X S+ 0 0 22 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.907 111.7 47.7 -64.0 -45.4 26.4 42.3 17.8 156 154 A I H X S+ 0 0 33 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.921 112.6 49.3 -61.1 -45.7 24.3 43.0 20.9 157 155 A K H X S+ 0 0 126 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.914 108.6 52.2 -60.5 -47.2 25.9 46.4 21.3 158 156 A K H X S+ 0 0 157 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.911 113.8 44.8 -55.7 -44.5 25.4 47.3 17.6 159 157 A Y H X S+ 0 0 40 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.934 113.4 47.6 -67.5 -47.5 21.7 46.5 18.0 160 158 A E H X>S+ 0 0 45 -4,-2.7 4,-1.2 1,-0.2 5,-1.0 0.871 111.1 52.1 -65.1 -36.9 21.1 48.2 21.3 161 159 A D H <5S+ 0 0 104 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.906 111.0 49.8 -60.3 -42.1 22.9 51.3 20.0 162 160 A S H <5S+ 0 0 104 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.897 114.0 41.2 -67.1 -43.0 20.6 51.2 17.0 163 161 A I H <5S- 0 0 57 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.605 105.1-128.8 -83.6 -9.4 17.3 50.9 18.9 164 162 A G T <5S+ 0 0 67 -4,-1.2 2,-0.3 -5,-0.2 -3,-0.2 0.672 76.0 55.5 73.5 19.7 18.5 53.5 21.5 165 163 A R S - 0 0 70 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.441 31.1-108.4 -76.6 163.3 14.6 42.4 25.6 169 167 A E H > S+ 0 0 139 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.918 122.3 54.0 -58.8 -41.9 15.8 38.8 25.5 170 168 A R H > S+ 0 0 180 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.930 108.7 48.7 -58.0 -45.0 13.3 38.1 22.7 171 169 A E H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 109.6 52.0 -61.1 -45.3 14.7 41.0 20.6 172 170 A L H X S+ 0 0 5 -4,-2.4 4,-1.7 1,-0.2 7,-0.6 0.906 110.2 48.0 -62.4 -36.9 18.3 39.8 21.2 173 171 A L H < S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 116.8 43.9 -74.9 -26.8 17.4 36.3 20.0 174 172 A R H < S+ 0 0 146 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 127.3 24.1 -77.5 -36.0 15.7 37.7 16.9 175 173 A H H < S+ 0 0 105 -4,-2.5 2,-0.2 -5,-0.2 -2,-0.2 0.455 112.2 49.6-118.9 -4.9 18.2 40.3 15.9 176 174 A T S >< S- 0 0 6 -4,-1.7 3,-1.8 -5,-0.2 4,-0.2 -0.803 86.8 -93.5-134.7 173.8 21.7 39.5 17.2 177 175 A N T >> S+ 0 0 38 1,-0.3 3,-1.7 -26,-0.3 4,-1.2 0.600 106.2 86.5 -64.0 -12.0 24.3 36.8 17.4 178 176 A K H 3> S+ 0 0 83 -6,-0.3 4,-0.6 1,-0.3 3,-0.3 0.842 78.6 68.6 -55.8 -31.3 22.9 35.9 20.8 179 177 A R H <4 S+ 0 0 148 -3,-1.8 -1,-0.3 -7,-0.6 4,-0.2 0.824 110.9 29.6 -48.6 -39.1 20.6 33.7 18.7 180 178 A F H <> S+ 0 0 92 -3,-1.7 4,-2.6 -4,-0.2 -1,-0.2 0.554 91.7 94.4-104.8 -12.0 23.5 31.5 17.8 181 179 A L H X S+ 0 0 24 -4,-1.2 4,-2.7 -3,-0.3 5,-0.3 0.881 83.5 51.7 -60.4 -45.8 25.9 31.6 20.8 182 180 A R H X S+ 0 0 197 -4,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.957 114.8 43.8 -54.3 -50.0 24.7 28.5 22.7 183 181 A G H > S+ 0 0 19 -4,-0.2 4,-3.0 1,-0.2 5,-0.3 0.908 112.1 52.6 -63.3 -42.4 25.0 26.4 19.6 184 182 A W H X S+ 0 0 14 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.925 113.8 43.1 -59.3 -42.8 28.4 27.9 18.6 185 183 A L H X S+ 0 0 47 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.894 114.4 49.9 -72.0 -39.6 29.8 27.1 22.1 186 184 A N H X S+ 0 0 88 -4,-2.6 4,-1.8 -5,-0.3 -2,-0.2 0.928 111.2 49.1 -66.0 -41.6 28.3 23.7 22.3 187 185 A R H X S+ 0 0 4 -4,-3.0 4,-0.7 -5,-0.2 -2,-0.2 0.931 111.1 51.0 -62.6 -43.4 29.7 22.8 18.8 188 186 A L H >< S+ 0 0 4 -4,-2.2 3,-1.6 -5,-0.3 4,-0.4 0.933 106.9 52.8 -59.7 -45.8 33.1 24.1 19.9 189 187 A E H >< S+ 0 0 69 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.874 101.8 61.7 -56.9 -36.0 33.0 21.9 23.1 190 188 A D H >< S+ 0 0 32 -4,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.714 88.0 71.8 -65.1 -19.0 32.3 18.9 20.9 191 189 A I G X< S+ 0 0 3 -3,-1.6 3,-0.8 -4,-0.7 -1,-0.3 0.716 87.0 64.3 -71.1 -17.0 35.6 19.3 19.1 192 190 A R G < S+ 0 0 80 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.727 97.0 59.5 -71.4 -22.6 37.4 18.1 22.3 193 191 A K G < 0 0 151 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.382 360.0 360.0 -94.2 -1.1 35.8 14.7 21.9 194 192 A L < 0 0 106 -3,-0.8 -1,-0.2 -4,-0.2 -2,-0.1 0.935 360.0 360.0 -64.9 360.0 37.0 13.7 18.4