==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-FEB-12 3VP5 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOCOCCUS LACTIS; . AUTHOR H.SAWAI,H.SUGIMOTO,Y.SHIRO,S.AONO . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10962.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 76.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 61.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 3.2 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 1 1 1 0 2 0 0 0 0 1 0 2 0 1 0 1 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 2 A P 0 0 38 0, 0.0 51,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 171.2 22.8 27.4 26.5 2 3 A K >> - 0 0 86 49,-2.6 3,-1.4 1,-0.1 4,-1.3 -0.411 360.0-100.6 -87.5 162.8 26.0 29.4 25.6 3 4 A S H 3> S+ 0 0 93 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.821 119.8 59.9 -48.4 -42.6 29.6 28.4 26.1 4 5 A T H 34 S+ 0 0 64 46,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.833 101.4 54.9 -62.7 -31.3 29.9 30.5 29.2 5 6 A Y H X4 S+ 0 0 2 -3,-1.4 3,-1.2 45,-0.4 -1,-0.2 0.942 110.5 45.1 -62.0 -47.1 27.1 28.4 30.9 6 7 A F H 3< S+ 0 0 101 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.730 107.0 60.0 -70.7 -19.9 29.0 25.2 30.2 7 8 A S T 3< S+ 0 0 99 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.465 82.0 109.3 -90.1 1.7 32.3 26.7 31.4 8 9 A L S < S- 0 0 25 -3,-1.2 2,-0.0 -4,-0.3 -3,-0.0 -0.299 83.1 -93.6 -66.4 157.4 30.9 27.4 34.8 9 10 A S > - 0 0 71 1,-0.1 4,-3.6 4,-0.0 5,-0.4 -0.395 39.0-108.2 -68.1 153.7 32.2 25.3 37.8 10 11 A D H > S+ 0 0 100 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.896 120.9 48.9 -47.9 -42.9 30.0 22.3 38.5 11 12 A E H > S+ 0 0 151 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.914 116.0 40.4 -71.4 -40.6 28.8 24.0 41.7 12 13 A K H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.894 117.0 48.4 -75.4 -39.6 28.0 27.3 40.0 13 14 A R H X S+ 0 0 51 -4,-3.6 4,-3.0 2,-0.2 -2,-0.2 0.933 111.6 51.1 -65.5 -44.1 26.5 25.7 36.9 14 15 A N H X S+ 0 0 71 -4,-3.0 4,-2.9 -5,-0.4 -2,-0.2 0.903 109.0 51.0 -61.7 -40.8 24.4 23.3 39.1 15 16 A R H X S+ 0 0 125 -4,-2.0 4,-1.9 -5,-0.2 -1,-0.2 0.923 112.1 46.7 -57.1 -46.8 23.1 26.3 41.1 16 17 A V H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.931 113.3 49.1 -63.0 -44.8 22.1 28.1 37.9 17 18 A Y H X S+ 0 0 21 -4,-3.0 4,-3.6 1,-0.2 5,-0.2 0.935 108.7 52.6 -60.3 -47.5 20.5 25.0 36.5 18 19 A D H X S+ 0 0 93 -4,-2.9 4,-3.3 1,-0.2 -1,-0.2 0.863 109.6 49.5 -54.7 -40.7 18.5 24.4 39.8 19 20 A A H X S+ 0 0 13 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.895 113.4 46.0 -70.1 -38.0 17.1 28.0 39.7 20 21 A C H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.944 114.8 47.7 -67.3 -47.9 16.1 27.6 36.0 21 22 A L H X S+ 0 0 21 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.943 111.1 51.0 -55.8 -48.7 14.6 24.2 36.9 22 23 A N H X S+ 0 0 77 -4,-3.3 4,-0.8 -5,-0.2 -1,-0.2 0.864 107.7 52.6 -60.7 -35.4 12.8 25.7 39.9 23 24 A E H >X S+ 0 0 8 -4,-1.9 4,-1.1 1,-0.2 3,-0.9 0.955 111.8 46.2 -64.3 -44.2 11.3 28.5 37.7 24 25 A F H 3< S+ 0 0 2 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.700 106.6 58.2 -75.1 -16.4 10.0 26.0 35.3 25 26 A Q H 3< S+ 0 0 26 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.667 117.2 34.9 -76.9 -17.0 8.5 23.8 38.1 26 27 A T H << S+ 0 0 68 -3,-0.9 2,-0.3 -4,-0.8 -2,-0.2 0.467 119.7 41.6-121.0 -1.3 6.5 26.7 39.3 27 28 A H S < S- 0 0 50 -4,-1.1 -1,-0.2 -5,-0.1 5,-0.1 -0.998 74.2-119.5-144.2 142.1 5.5 28.6 36.1 28 29 A S >> - 0 0 6 -2,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.374 44.9-102.9 -63.1 156.8 4.4 27.7 32.5 29 30 A F T 34 S+ 0 0 51 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.903 125.0 54.1 -51.3 -41.8 6.8 29.0 29.9 30 31 A H T 34 S+ 0 0 173 1,-0.2 -1,-0.3 83,-0.2 -2,-0.0 0.809 114.4 41.3 -62.3 -29.0 4.5 31.9 29.1 31 32 A E T <4 S+ 0 0 102 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.659 93.9 103.1 -92.1 -19.3 4.5 32.9 32.8 32 33 A A < - 0 0 5 -4,-1.9 2,-0.4 -3,-0.2 3,-0.1 -0.283 53.3-163.1 -66.7 149.5 8.2 32.3 33.4 33 34 A K >> - 0 0 102 1,-0.1 4,-1.2 22,-0.1 3,-0.7 -0.999 29.7-140.8-138.4 137.7 10.5 35.3 33.6 34 35 A I H 3> S+ 0 0 13 -2,-0.4 4,-2.2 1,-0.2 3,-0.3 0.904 106.3 63.0 -53.0 -47.4 14.3 35.8 33.4 35 36 A M H 3> S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.825 99.6 53.9 -48.7 -35.0 13.9 38.4 36.2 36 37 A H H <> S+ 0 0 60 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.922 108.9 48.2 -66.7 -44.8 12.7 35.6 38.6 37 38 A I H X S+ 0 0 2 -4,-1.2 4,-2.4 -3,-0.3 5,-0.2 0.945 112.5 45.8 -65.0 -48.5 15.7 33.4 37.9 38 39 A V H X>S+ 0 0 12 -4,-2.2 5,-1.9 1,-0.2 4,-1.2 0.834 111.5 52.7 -66.1 -31.6 18.3 36.2 38.5 39 40 A K H <5S+ 0 0 178 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.911 109.5 49.8 -70.7 -39.3 16.6 37.4 41.6 40 41 A A H <5S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.944 117.9 39.6 -57.5 -46.0 16.7 33.8 43.0 41 42 A L H <5S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.632 105.3-132.0 -79.7 -15.0 20.4 33.6 42.1 42 43 A D T <5 + 0 0 149 -4,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.922 62.4 128.8 59.3 47.8 21.1 37.2 43.2 43 44 A I < - 0 0 30 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.895 67.8 -88.9-126.2 155.9 23.0 38.0 40.0 44 45 A P >> - 0 0 93 0, 0.0 3,-1.3 0, 0.0 4,-0.6 -0.377 36.3-117.1 -65.1 146.1 22.6 40.9 37.6 45 46 A R H >> S+ 0 0 122 1,-0.3 3,-1.7 2,-0.2 4,-0.8 0.870 114.3 66.4 -43.7 -45.8 20.1 40.3 34.8 46 47 A G H >> S+ 0 0 46 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.849 90.8 62.8 -46.5 -42.6 23.0 40.7 32.4 47 48 A S H X> S+ 0 0 24 -3,-1.3 3,-0.8 1,-0.2 4,-0.7 0.810 94.0 62.2 -54.4 -34.0 24.6 37.5 33.7 48 49 A F H XX S+ 0 0 2 -3,-1.7 4,-2.2 -4,-0.6 3,-1.1 0.904 100.1 52.8 -59.1 -41.8 21.6 35.5 32.5 49 50 A Y H << S+ 0 0 89 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.578 100.4 62.0 -77.9 -10.5 22.3 36.4 28.9 50 51 A Q H << S+ 0 0 102 -3,-0.8 -45,-0.4 -4,-0.6 -46,-0.4 0.687 114.0 35.4 -77.9 -23.6 25.9 35.2 29.3 51 52 A Y H << S+ 0 0 12 -3,-1.1 -49,-2.6 -4,-0.7 2,-0.3 0.771 127.1 23.6 -96.7 -32.8 24.5 31.7 30.0 52 53 A F < - 0 0 2 -4,-2.2 -1,-0.2 -51,-0.3 3,-0.1 -0.955 62.0-133.2-137.2 154.0 21.5 31.6 27.7 53 54 A E S S- 0 0 132 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.894 86.8 -39.2 -72.4 -36.9 20.3 33.3 24.5 54 55 A D S > S- 0 0 50 -6,-0.1 4,-1.3 -3,-0.1 3,-0.2 -0.899 76.9 -69.5-169.7-173.7 16.9 33.9 26.1 55 56 A L H > S+ 0 0 21 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.902 126.0 59.3 -65.3 -39.8 14.3 32.2 28.3 56 57 A K H > S+ 0 0 54 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.848 100.5 56.8 -55.9 -40.3 13.5 29.7 25.6 57 58 A D H > S+ 0 0 16 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.948 109.9 43.2 -57.8 -50.1 17.1 28.5 25.6 58 59 A A H X S+ 0 0 0 -4,-1.3 4,-2.9 1,-0.2 -2,-0.2 0.905 114.2 52.3 -63.2 -42.1 17.0 27.7 29.4 59 60 A Y H X S+ 0 0 5 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.950 110.8 45.7 -61.6 -48.0 13.6 26.1 29.0 60 61 A F H X S+ 0 0 6 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.904 113.2 50.9 -62.5 -41.4 14.7 23.8 26.2 61 62 A Y H X S+ 0 0 35 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.932 111.7 46.4 -62.8 -46.5 17.8 22.9 28.1 62 63 A V H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 5,-0.3 0.946 113.8 49.4 -59.9 -49.7 16.0 22.1 31.3 63 64 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.950 110.6 49.7 -52.1 -53.6 13.4 20.1 29.3 64 65 A S H X S+ 0 0 29 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.889 114.3 45.2 -55.1 -42.1 16.0 18.1 27.5 65 66 A Q H X S+ 0 0 65 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.945 116.0 43.0 -73.2 -47.3 17.9 17.2 30.7 66 67 A E H X S+ 0 0 13 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.865 114.9 51.0 -65.7 -35.2 14.9 16.2 32.8 67 68 A T H X S+ 0 0 25 -4,-2.7 4,-2.2 -5,-0.3 5,-0.2 0.879 105.9 55.0 -70.1 -36.9 13.4 14.2 29.9 68 69 A L H X S+ 0 0 64 -4,-1.8 4,-3.0 -5,-0.3 -1,-0.2 0.939 111.5 46.5 -58.0 -46.3 16.6 12.4 29.4 69 70 A E H X S+ 0 0 116 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.921 111.1 48.6 -60.6 -50.0 16.4 11.4 33.0 70 71 A I H < S+ 0 0 22 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.808 116.0 46.3 -66.1 -27.6 12.8 10.3 33.0 71 72 A H H >X S+ 0 0 33 -4,-2.2 4,-2.7 2,-0.2 3,-1.5 0.901 107.8 54.0 -76.2 -46.8 13.5 8.3 29.9 72 73 A D H 3X S+ 0 0 52 -4,-3.0 4,-2.7 1,-0.3 5,-0.3 0.789 95.4 70.8 -57.4 -28.1 16.6 6.7 31.2 73 74 A L H 3< S+ 0 0 44 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.838 112.6 29.0 -57.0 -34.0 14.5 5.6 34.2 74 75 A F H X> S+ 0 0 17 -3,-1.5 3,-1.9 -4,-0.4 4,-0.7 0.915 120.0 51.0 -86.5 -58.4 12.9 3.2 31.8 75 76 A F H >< S+ 0 0 24 -4,-2.7 3,-0.8 1,-0.3 4,-0.3 0.806 103.0 60.8 -58.1 -33.8 15.7 2.5 29.3 76 77 A N G >< S+ 0 0 82 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.770 96.6 61.6 -60.0 -28.3 18.2 1.7 32.0 77 78 A L G X> S+ 0 0 27 -3,-1.9 3,-1.2 -5,-0.3 4,-0.9 0.808 89.2 70.4 -66.6 -27.9 15.9 -1.2 33.1 78 79 A L G << S+ 0 0 47 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.656 89.5 61.8 -69.4 -14.2 16.3 -3.0 29.7 79 80 A K G <4 S+ 0 0 144 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.826 121.3 21.4 -75.1 -31.1 19.9 -3.8 30.5 80 81 A D T <4 S+ 0 0 138 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.250 122.2 48.3-123.0 9.3 18.8 -5.9 33.5 81 82 A N S < S- 0 0 40 -4,-0.9 -1,-0.0 3,-0.0 3,-0.0 -0.990 81.6 -97.8-148.6 152.3 15.1 -6.8 32.9 82 83 A S > - 0 0 65 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.339 43.6-113.9 -58.7 156.9 12.7 -8.2 30.3 83 84 A I H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.933 118.8 56.4 -62.2 -41.3 10.8 -5.3 28.6 84 85 A E H > S+ 0 0 133 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.903 112.8 38.2 -49.3 -50.8 7.7 -6.7 30.3 85 86 A E H > S+ 0 0 88 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.857 111.2 58.7 -79.3 -36.5 9.2 -6.4 33.8 86 87 A S H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.931 106.7 50.1 -54.2 -44.5 10.9 -3.1 33.0 87 88 A L H X S+ 0 0 6 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.907 110.1 49.3 -61.1 -41.6 7.5 -1.6 32.1 88 89 A D H X S+ 0 0 62 -4,-1.5 4,-0.6 1,-0.2 -1,-0.2 0.889 114.1 45.4 -67.5 -37.0 6.1 -2.9 35.4 89 90 A K H X S+ 0 0 84 -4,-2.5 4,-1.5 1,-0.2 3,-0.3 0.769 106.2 60.6 -70.4 -30.4 9.0 -1.4 37.4 90 91 A Y H X S+ 0 0 16 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.847 91.7 67.1 -70.4 -33.9 8.8 1.8 35.5 91 92 A K H X S+ 0 0 4 -4,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.909 106.5 41.2 -47.3 -48.0 5.3 2.4 36.7 92 93 A Y H X S+ 0 0 109 -4,-0.6 4,-1.5 -3,-0.3 -1,-0.2 0.789 109.0 57.0 -78.4 -30.4 6.7 2.8 40.3 93 94 A L H X S+ 0 0 40 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.884 107.0 52.8 -66.9 -31.1 9.7 4.9 39.2 94 95 A L H X>S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 5,-1.7 0.892 103.8 55.1 -68.2 -42.0 7.1 7.2 37.7 95 96 A L H <>S+ 0 0 24 -4,-1.5 5,-2.0 1,-0.2 -1,-0.2 0.888 117.9 35.3 -51.0 -43.6 5.2 7.4 41.0 96 97 A E H <5S+ 0 0 121 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.813 127.6 35.3 -84.7 -35.3 8.4 8.5 42.7 97 98 A N H <5S+ 0 0 61 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.444 131.1 18.9-105.4 0.5 9.9 10.6 40.0 98 99 A L T <5S+ 0 0 2 -4,-2.0 3,-0.4 -5,-0.1 -3,-0.2 0.614 124.9 37.2-132.2 -50.9 6.8 12.2 38.3 99 100 A I T S- 0 0 33 -3,-0.4 3,-1.1 1,-0.1 4,-0.4 -0.686 87.3-117.6-121.6 160.3 7.8 15.2 42.4 102 103 A P T >> S+ 0 0 78 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.755 112.1 72.7 -62.6 -22.5 8.4 18.8 41.6 103 104 A Q H 3> S+ 0 0 19 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.680 74.5 80.7 -66.7 -20.0 8.5 17.5 38.0 104 105 A Y H <> S+ 0 0 37 -3,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.958 99.6 39.1 -47.1 -53.0 4.8 16.9 38.1 105 106 A K H <> S+ 0 0 112 -3,-0.7 4,-2.2 -4,-0.4 5,-0.2 0.927 112.3 55.5 -67.9 -44.2 4.3 20.6 37.3 106 107 A L H X S+ 0 0 1 -4,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.907 114.8 41.2 -50.3 -41.0 7.3 20.9 34.9 107 108 A Y H X S+ 0 0 9 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.878 107.5 58.7 -84.6 -32.1 5.6 18.1 32.9 108 109 A K H X>S+ 0 0 56 -4,-2.5 4,-2.7 -5,-0.3 5,-0.5 0.940 109.6 45.8 -57.9 -47.0 2.1 19.3 33.1 109 110 A Y H X5S+ 0 0 35 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 113.1 50.3 -63.0 -41.8 3.1 22.6 31.4 110 111 A R H <5S+ 0 0 52 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.872 117.7 39.7 -61.2 -39.8 5.2 20.7 28.8 111 112 A F H <5S+ 0 0 57 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.857 131.4 22.7 -78.7 -37.6 2.2 18.4 28.0 112 113 A L H <5S+ 0 0 59 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.744 121.9 49.6-106.3 -31.0 -0.6 20.9 28.2 113 114 A D S < - 0 0 58 1,-0.1 4,-2.8 -2,-0.1 5,-0.2 -0.977 37.7-107.8-148.9 163.3 2.5 25.7 21.2 116 117 A Y H > S+ 0 0 171 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.883 120.3 57.7 -58.6 -38.0 3.4 25.5 17.5 117 118 A E H > S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.906 109.6 42.9 -60.2 -46.1 5.9 28.4 18.2 118 119 A L H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.922 115.6 48.8 -61.3 -47.4 7.7 26.3 20.9 119 120 A E H X S+ 0 0 70 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.923 107.4 55.9 -61.9 -45.6 7.6 23.2 18.7 120 121 A R H < S+ 0 0 111 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.873 117.4 34.6 -49.0 -46.8 8.9 25.1 15.7 121 122 A D H X S+ 0 0 53 -4,-1.4 4,-0.6 -5,-0.2 -1,-0.2 0.798 120.2 50.7 -82.7 -32.5 12.0 26.3 17.7 122 123 A W H >X S+ 0 0 35 -4,-2.9 4,-1.5 2,-0.1 3,-1.0 0.962 101.5 56.9 -68.4 -58.4 12.3 23.1 19.7 123 124 A K H >< S+ 0 0 115 -4,-2.9 3,-0.6 1,-0.3 -3,-0.1 0.870 107.4 44.3 -50.1 -52.3 12.3 20.4 17.1 124 125 A P H 34 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.732 119.0 43.4 -67.7 -22.0 15.2 21.5 14.9 125 126 A Q H << S+ 0 0 93 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.618 91.3 111.1 -95.9 -15.3 17.5 22.3 17.8 126 127 A S << - 0 0 43 -4,-1.5 2,-0.3 -3,-0.6 3,-0.1 -0.308 51.9-154.3 -70.7 136.4 16.7 19.1 19.8 127 128 A S - 0 0 104 1,-0.1 -2,-0.1 -2,-0.1 -1,-0.0 -0.733 42.9 -80.8 -96.6 157.8 19.1 16.3 20.4 128 129 A A - 0 0 75 -2,-0.3 -1,-0.1 1,-0.1 4,-0.1 -0.263 32.9-169.9 -57.1 140.7 17.7 12.8 21.1 129 130 A T S S+ 0 0 22 2,-0.1 -1,-0.1 -62,-0.1 -58,-0.1 0.268 73.3 63.0-110.1 7.3 16.6 12.1 24.6 130 131 A V S S- 0 0 34 1,-0.1 5,-0.1 -59,-0.1 -62,-0.0 -0.887 104.9 -73.2-125.9 157.5 16.2 8.4 23.9 131 132 A P > - 0 0 46 0, 0.0 3,-1.2 0, 0.0 4,-0.1 -0.147 46.9-113.1 -55.0 147.2 18.9 5.8 22.9 132 133 A A G > S+ 0 0 93 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.793 118.2 41.0 -54.4 -35.8 20.2 6.2 19.3 133 134 A S G 3 S+ 0 0 88 1,-0.2 3,-0.5 2,-0.1 -1,-0.3 0.732 104.7 71.0 -80.0 -22.3 18.7 2.9 18.2 134 135 A E G < S+ 0 0 48 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.189 87.4 59.9 -90.8 16.4 15.5 3.5 20.1 135 136 A N S < S+ 0 0 90 -3,-0.6 -1,-0.2 -4,-0.1 -2,-0.1 0.717 102.6 49.9-101.6 -33.1 14.0 6.3 18.0 136 137 A D S S+ 0 0 137 -3,-0.5 -2,-0.2 -4,-0.4 -3,-0.1 0.373 93.9 94.7 -90.9 3.1 13.7 4.4 14.7 137 138 A N S > S- 0 0 31 -4,-0.2 4,-1.6 1,-0.1 3,-0.2 -0.785 70.5-134.7-111.1 145.1 11.9 1.3 16.1 138 139 A P H > S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.783 103.4 60.1 -60.7 -35.4 8.2 0.3 16.4 139 140 A I H > S+ 0 0 88 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.950 107.8 44.5 -58.8 -48.9 8.5 -0.9 20.0 140 141 A S H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 112.8 52.0 -64.8 -35.4 9.7 2.5 21.2 141 142 A Q H X S+ 0 0 71 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.905 112.1 45.3 -68.7 -40.9 7.0 4.3 19.2 142 143 A V H X S+ 0 0 74 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.945 116.6 43.9 -67.6 -46.6 4.2 2.1 20.6 143 144 A L H X S+ 0 0 17 -4,-2.7 4,-2.9 2,-0.2 5,-0.4 0.905 113.3 52.6 -65.9 -43.5 5.4 2.4 24.2 144 145 A K H X S+ 0 0 98 -4,-2.4 4,-3.2 -5,-0.3 5,-0.4 0.976 111.0 48.0 -48.6 -56.0 6.0 6.2 23.7 145 146 A S H X S+ 0 0 69 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.908 117.7 39.1 -54.5 -51.8 2.4 6.6 22.4 146 147 A V H X S+ 0 0 32 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.914 119.8 43.4 -72.2 -43.0 0.8 4.6 25.2 147 148 A V H X S+ 0 0 15 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.928 114.2 50.3 -71.1 -43.1 2.9 5.8 28.1 148 149 A H H X S+ 0 0 73 -4,-3.2 4,-3.0 -5,-0.4 -1,-0.2 0.916 110.6 51.8 -57.1 -43.7 2.8 9.5 27.0 149 150 A N H X S+ 0 0 74 -4,-1.8 4,-2.1 -5,-0.4 -1,-0.2 0.852 107.4 50.2 -62.0 -36.8 -0.9 9.2 26.6 150 151 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.918 113.5 47.5 -64.8 -42.9 -1.3 7.8 30.2 151 152 A V H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 5,-0.2 0.919 109.8 52.5 -63.5 -44.7 0.8 10.7 31.4 152 153 A Y H X S+ 0 0 103 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.939 112.2 45.3 -55.4 -48.0 -1.2 13.2 29.4 153 154 A R H X S+ 0 0 42 -4,-2.1 4,-3.0 1,-0.2 6,-0.5 0.858 106.3 60.0 -66.8 -36.3 -4.5 11.9 30.9 154 155 A L H <>S+ 0 0 1 -4,-2.2 5,-1.2 2,-0.2 4,-0.2 0.929 116.2 34.2 -52.8 -47.4 -2.9 11.9 34.4 155 156 A F H ><5S+ 0 0 1 -4,-2.0 3,-0.8 3,-0.2 -2,-0.2 0.943 120.1 49.5 -72.6 -51.2 -2.4 15.7 34.0 156 157 A S H 3<5S+ 0 0 63 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.842 123.2 29.5 -58.9 -41.2 -5.5 16.4 32.0 157 158 A E T 3<5S- 0 0 118 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.255 102.7-124.9-108.9 8.2 -7.9 14.5 34.3 158 159 A N T < 5 - 0 0 101 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.2 0.869 39.2-161.5 44.7 46.7 -6.0 15.1 37.5 159 160 A W < - 0 0 30 -5,-1.2 -1,-0.1 -6,-0.5 2,-0.1 -0.207 14.0-122.7 -51.3 140.1 -5.9 11.4 38.2 160 161 A T > - 0 0 55 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.371 34.1-102.4 -65.2 165.2 -5.1 10.1 41.6 161 162 A E H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.845 123.0 52.7 -59.1 -37.2 -2.2 7.8 42.0 162 163 A K H > S+ 0 0 139 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.904 108.0 49.7 -71.2 -39.0 -4.5 4.7 42.2 163 164 A T H > S+ 0 0 42 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.830 109.9 52.4 -64.7 -34.2 -6.3 5.7 39.0 164 165 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.937 111.4 45.9 -65.4 -45.5 -2.9 6.1 37.2 165 166 A I H X S+ 0 0 29 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.870 110.2 54.8 -63.9 -39.4 -1.8 2.7 38.3 166 167 A E H X S+ 0 0 105 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.946 114.0 38.5 -61.2 -49.9 -5.1 1.1 37.3 167 168 A N H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.875 112.9 55.3 -72.5 -40.3 -5.0 2.4 33.7 168 169 A Y H X S+ 0 0 1 -4,-2.3 4,-3.4 -5,-0.2 5,-0.4 0.947 110.5 47.3 -53.1 -51.1 -1.3 1.9 33.2 169 170 A D H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.941 113.4 46.7 -58.7 -49.8 -1.7 -1.8 34.2 170 171 A K H X S+ 0 0 128 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.929 119.4 40.4 -57.5 -47.3 -4.7 -2.3 31.9 171 172 A E H X S+ 0 0 47 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.876 114.7 48.4 -79.0 -37.5 -3.1 -0.6 29.0 172 173 A I H X S+ 0 0 10 -4,-3.4 4,-2.4 -5,-0.3 -1,-0.2 0.883 111.8 52.7 -69.8 -33.5 0.5 -1.9 29.3 173 174 A K H X>S+ 0 0 127 -4,-2.2 4,-2.8 -5,-0.4 5,-0.5 0.956 108.0 50.5 -62.0 -45.9 -1.0 -5.5 29.7 174 175 A L H X5S+ 0 0 57 -4,-2.0 4,-1.7 1,-0.2 8,-0.2 0.902 112.7 47.1 -59.2 -39.0 -3.0 -5.0 26.5 175 176 A V H <5S+ 0 0 47 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.910 114.5 47.1 -66.3 -37.5 0.2 -3.9 24.8 176 177 A T H <5S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.877 122.5 31.4 -75.1 -43.4 2.2 -6.9 26.2 177 178 A E H <5S- 0 0 60 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.774 112.0-126.7 -78.9 -33.5 -0.3 -9.6 25.4 178 179 A G X< - 0 0 24 -4,-1.7 4,-2.1 -5,-0.5 5,-0.2 -0.174 24.8 -78.4 94.2 166.5 -1.6 -7.9 22.3 179 180 A L H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.864 127.0 56.0 -70.5 -38.2 -5.0 -7.0 21.1 180 181 A L H > S+ 0 0 137 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.957 112.4 39.9 -58.2 -52.3 -5.8 -10.6 20.1 181 182 A N H > S+ 0 0 83 -4,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.881 111.2 55.3 -69.2 -40.5 -5.0 -12.1 23.5 182 183 A Y H < S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 110.3 49.2 -57.1 -39.7 -6.6 -9.4 25.5 183 184 A I H < S+ 0 0 119 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.1 49.7 -65.9 -41.2 -9.8 -10.1 23.5 184 185 A T H < 0 0 111 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.888 360.0 360.0 -67.6 -36.9 -9.7 -13.9 24.0 185 186 A D < 0 0 139 -4,-2.4 -3,-0.0 -5,-0.1 0, 0.0 -0.147 360.0 360.0 -91.2 360.0 -9.2 -13.5 27.8