==== 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 TRANSCRIPTION REGULATOR 29-APR-09 3H93 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA PAO1; . AUTHOR S.R.SHOULDICE . 192 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 6.8 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 6 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 43.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.6 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 0 1 1 0 0 1 0 0 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 0 2 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 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 1 A S 0 0 74 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 169.9 6.1 40.9 47.6 2 2 A N > - 0 0 75 183,-0.0 3,-2.2 180,-0.0 4,-0.4 -0.847 360.0 -70.4-149.5-174.5 2.3 40.8 48.0 3 3 A A G > S+ 0 0 59 1,-0.3 3,-1.5 -2,-0.2 5,-0.1 0.815 123.2 63.9 -54.2 -34.5 -1.0 39.5 46.6 4 4 A D G 3 S+ 0 0 148 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.772 98.8 56.1 -59.8 -26.7 -0.7 42.0 43.7 5 5 A D G < S+ 0 0 90 -3,-2.2 2,-0.3 2,-0.0 -1,-0.3 0.609 107.9 51.8 -83.2 -12.5 2.5 40.1 42.6 6 6 A Y < - 0 0 33 -3,-1.5 2,-0.5 -4,-0.4 163,-0.0 -0.848 59.3-147.1-130.8 159.2 0.8 36.7 42.3 7 7 A T >>> - 0 0 81 -2,-0.3 3,-2.7 5,-0.0 4,-0.8 -0.985 34.5-120.3-121.8 118.2 -2.0 34.7 40.8 8 8 A A B 345S+a 12 0A 66 -2,-0.5 5,-0.2 1,-0.3 -5,-0.0 -0.361 102.9 25.9 -56.6 126.8 -3.3 31.8 42.9 9 9 A G T 345S+ 0 0 51 3,-2.9 -1,-0.3 -2,-0.1 4,-0.1 0.115 119.5 62.7 101.7 -19.4 -2.9 28.7 40.8 10 10 A K T <45S+ 0 0 137 -3,-2.7 -2,-0.2 2,-0.2 3,-0.1 0.831 113.4 18.0 -99.6 -79.3 0.0 30.1 38.8 11 11 A E T <5S+ 0 0 25 -4,-0.8 154,-0.4 1,-0.1 2,-0.3 0.795 142.2 10.4 -66.5 -28.0 3.1 31.0 40.8 12 12 A Y B S- 0 0 87 3,-0.2 3,-1.7 36,-0.1 -1,-0.2 -0.872 84.6-141.5-118.6 100.0 5.4 20.7 64.0 24 24 A P T 3 S+ 0 0 92 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.234 85.8 29.2 -53.1 142.1 2.0 22.0 65.2 25 25 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 3,-0.0 0, 0.0 0.350 104.8 87.3 89.9 -6.7 2.0 25.7 66.1 26 26 A K S < S- 0 0 82 -3,-1.7 2,-0.7 33,-0.0 32,-0.2 -0.916 83.8-109.3-123.3 152.8 4.7 26.7 63.6 27 27 A I E -c 58 0B 14 30,-3.3 32,-2.5 -2,-0.3 2,-0.2 -0.711 42.1-139.0 -78.6 113.9 4.5 27.7 59.9 28 28 A E E -c 59 0B 5 -2,-0.7 131,-3.2 30,-0.2 2,-0.4 -0.501 19.4-171.0 -76.9 142.5 6.0 24.7 58.1 29 29 A V E -cD 60 158B 0 30,-2.4 32,-3.2 129,-0.2 2,-0.4 -0.981 8.8-173.4-129.7 122.8 8.3 25.1 55.1 30 30 A V E -cD 61 157B 0 127,-2.6 127,-2.1 -2,-0.4 2,-0.5 -0.941 11.3-165.0-114.5 134.2 9.3 22.0 53.2 31 31 A E E -cD 62 156B 0 30,-1.9 32,-2.6 -2,-0.4 2,-0.4 -0.992 7.9-164.2-110.0 127.6 11.8 21.7 50.4 32 32 A L E +cD 63 155B 0 123,-2.9 123,-2.2 -2,-0.5 2,-0.3 -0.932 23.8 154.5-104.7 134.7 11.6 18.5 48.3 33 33 A F E -c 64 0B 4 30,-1.8 32,-1.9 -2,-0.4 2,-0.4 -0.975 38.9-134.2-154.6 163.3 14.6 17.7 46.2 34 34 A W > - 0 0 44 -2,-0.3 3,-1.9 30,-0.2 6,-0.2 -0.993 20.3-137.4-121.4 131.7 16.6 15.0 44.4 35 35 A Y T 3 S+ 0 0 3 -2,-0.4 6,-0.1 1,-0.3 64,-0.1 0.817 104.8 55.5 -52.6 -33.9 20.4 15.0 44.7 36 36 A G T 3 S+ 0 0 10 4,-0.1 -1,-0.3 62,-0.1 3,-0.1 0.487 81.2 102.1 -85.0 -2.3 20.6 14.2 41.0 37 37 A a <> - 0 0 10 -3,-1.9 4,-1.9 1,-0.2 3,-0.5 -0.714 64.7-148.1 -86.6 122.2 18.5 17.2 39.8 38 38 A P H > S+ 0 0 80 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.849 98.0 49.8 -60.6 -34.7 20.8 19.9 38.4 39 39 A H H > S+ 0 0 132 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.805 105.6 57.5 -76.5 -25.4 18.5 22.7 39.5 40 40 A a H > S+ 0 0 0 -3,-0.5 4,-1.3 2,-0.2 -1,-0.2 0.914 109.3 45.6 -64.0 -44.6 18.3 21.2 43.0 41 41 A Y H < S+ 0 0 49 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.935 113.0 49.6 -63.4 -45.9 22.1 21.5 43.2 42 42 A A H < S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.826 111.9 49.2 -63.5 -30.4 22.0 25.1 41.8 43 43 A F H >X S+ 0 0 4 -4,-1.8 4,-2.6 1,-0.2 3,-2.0 0.729 89.3 85.1 -81.1 -23.0 19.3 26.1 44.3 44 44 A E H 3X S+ 0 0 0 -4,-1.3 4,-2.2 -3,-0.5 -1,-0.2 0.866 88.1 48.2 -50.5 -48.4 21.1 24.6 47.3 45 45 A P H 34 S+ 0 0 90 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.574 116.3 47.4 -74.3 -4.5 23.3 27.7 48.1 46 46 A T H <> S+ 0 0 41 -3,-2.0 4,-1.1 -4,-0.1 -2,-0.2 0.853 116.6 37.5 -93.5 -51.2 20.2 29.9 47.8 47 47 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.856 109.7 61.0 -73.4 -35.7 17.8 27.9 50.0 48 48 A V H X S+ 0 0 19 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.956 106.7 41.7 -62.7 -52.1 20.2 26.8 52.7 49 49 A P H > S+ 0 0 43 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.891 115.3 52.8 -63.1 -35.2 21.3 30.2 54.0 50 50 A W H >< S+ 0 0 27 -4,-1.1 3,-1.1 1,-0.2 -2,-0.2 0.923 107.1 51.7 -62.8 -42.6 17.7 31.5 53.7 51 51 A S H >< S+ 0 0 24 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.852 103.7 58.7 -63.7 -32.8 16.6 28.5 55.8 52 52 A E H 3< S+ 0 0 147 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.691 104.2 52.3 -68.5 -20.8 19.2 29.3 58.5 53 53 A K T << S+ 0 0 154 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.354 79.8 128.6 -97.2 4.5 17.7 32.8 58.9 54 54 A L < - 0 0 36 -3,-1.3 6,-0.1 -4,-0.2 -3,-0.0 -0.312 58.4-116.0 -68.2 146.9 14.1 31.6 59.5 55 55 A P > - 0 0 65 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.156 29.4 -96.0 -80.1 175.5 12.3 33.0 62.6 56 56 A A T 3 S+ 0 0 83 1,-0.3 -2,-0.1 3,-0.1 0, 0.0 0.712 119.8 60.9 -67.9 -21.9 11.1 31.0 65.6 57 57 A D T 3 S+ 0 0 49 -31,-0.1 -30,-3.3 2,-0.0 2,-0.4 0.388 95.5 76.3 -88.5 7.6 7.5 30.8 64.3 58 58 A V E < -c 27 0B 13 -3,-1.7 2,-0.5 -32,-0.2 -30,-0.2 -0.913 62.0-159.8-117.8 143.7 8.7 28.8 61.2 59 59 A H E -c 28 0B 65 -32,-2.5 -30,-2.4 -2,-0.4 2,-0.4 -0.956 11.9-153.6-127.4 110.6 9.8 25.2 61.0 60 60 A F E +c 29 0B 54 -2,-0.5 2,-0.3 -32,-0.2 -30,-0.2 -0.728 17.4 174.8 -93.4 131.6 11.9 24.1 58.1 61 61 A V E -c 30 0B 33 -32,-3.2 -30,-1.9 -2,-0.4 2,-0.4 -0.954 15.7-154.1-133.2 145.4 11.9 20.6 56.8 62 62 A R E -c 31 0B 34 -2,-0.3 -30,-0.2 -32,-0.2 -32,-0.0 -0.975 11.2-174.9-122.4 143.5 13.5 18.8 53.8 63 63 A L E -c 32 0B 18 -32,-2.6 -30,-1.8 -2,-0.4 2,-0.2 -0.978 26.3-118.4-130.6 146.0 12.2 15.7 52.1 64 64 A P E -c 33 0B 2 0, 0.0 2,-1.0 0, 0.0 -30,-0.2 -0.576 29.0-121.7 -74.7 146.2 13.7 13.5 49.3 65 65 A A - 0 0 0 -32,-1.9 2,-1.7 -2,-0.2 10,-0.1 -0.822 24.9-162.6 -86.9 103.4 11.6 13.3 46.2 66 66 A L + 0 0 16 -2,-1.0 6,-0.1 75,-0.2 3,-0.1 -0.538 31.7 149.7 -91.1 73.4 11.0 9.6 46.0 67 67 A F - 0 0 75 -2,-1.7 -1,-0.2 1,-0.3 3,-0.1 0.233 59.8 -79.6 -98.2 12.1 10.0 9.6 42.3 68 68 A G S > S+ 0 0 30 1,-0.3 3,-1.9 -3,-0.1 -1,-0.3 -0.114 86.7 17.1 113.6 155.5 11.3 6.1 41.4 69 69 A G T >> S+ 0 0 61 1,-0.3 4,-1.2 2,-0.2 3,-1.2 -0.184 128.1 1.6 55.4-130.9 14.4 4.2 40.5 70 70 A I H 3> S+ 0 0 61 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.760 125.9 68.4 -64.2 -24.3 17.6 6.0 41.3 71 71 A W H <> S+ 0 0 61 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.884 101.6 47.6 -60.5 -36.6 15.6 8.9 42.9 72 72 A N H <> S+ 0 0 35 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.2 0.886 111.2 49.6 -72.8 -38.2 14.6 6.5 45.6 73 73 A V H X S+ 0 0 37 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.940 114.6 44.5 -64.2 -47.3 18.1 5.2 46.2 74 74 A H H X S+ 0 0 8 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.880 111.9 53.7 -65.6 -35.7 19.5 8.8 46.4 75 75 A G H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.880 105.5 53.0 -65.5 -37.9 16.6 9.8 48.6 76 76 A Q H X S+ 0 0 38 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.878 107.4 52.5 -65.6 -36.2 17.3 6.9 51.0 77 77 A X H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.923 108.4 51.2 -61.7 -44.4 20.9 8.2 51.2 78 78 A F H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.948 111.0 46.6 -57.0 -50.9 19.5 11.7 52.0 79 79 A L H X S+ 0 0 15 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.886 112.7 51.8 -58.8 -39.2 17.4 10.3 54.9 80 80 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.934 110.6 45.8 -64.1 -47.7 20.4 8.3 56.1 81 81 A L H X>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 4,-1.0 0.893 112.3 51.5 -64.7 -40.6 22.7 11.2 56.2 82 82 A E H ><5S+ 0 0 88 -4,-2.6 3,-0.7 -5,-0.2 -1,-0.2 0.931 110.1 49.4 -60.2 -45.2 20.1 13.4 57.9 83 83 A S H 3<5S+ 0 0 73 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.868 106.8 56.0 -61.3 -39.3 19.6 10.7 60.6 84 84 A X H 3<5S- 0 0 55 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.722 109.9-124.7 -66.8 -23.0 23.3 10.4 61.1 85 85 A G T <<5 + 0 0 63 -4,-1.0 -3,-0.2 -3,-0.7 -2,-0.1 0.727 45.4 173.1 85.9 25.6 23.5 14.1 61.9 86 86 A V < - 0 0 32 -5,-1.6 -1,-0.1 1,-0.1 2,-0.1 -0.158 34.4-105.0 -64.9 158.3 26.1 15.0 59.3 87 87 A E >> - 0 0 143 1,-0.1 3,-1.8 3,-0.0 4,-0.5 -0.439 34.5-104.9 -80.8 162.2 27.1 18.6 58.6 88 88 A H H >> S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.774 112.0 73.8 -62.8 -29.3 25.9 20.3 55.4 89 89 A D H 3> S+ 0 0 110 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.801 90.0 62.4 -53.4 -29.7 29.2 20.0 53.6 90 90 A V H <> S+ 0 0 12 -3,-1.8 4,-2.0 2,-0.2 -1,-0.3 0.909 100.5 51.6 -64.0 -41.0 28.5 16.3 53.2 91 91 A H H S+ 0 0 90 -4,-2.8 4,-2.5 1,-0.2 5,-2.0 0.889 108.5 55.1 -65.9 -38.7 29.3 17.4 43.6 97 97 A A H <5S+ 0 0 0 -4,-2.4 6,-2.9 3,-0.2 -1,-0.2 0.920 116.2 37.9 -58.5 -44.4 30.0 13.7 43.2 98 98 A I H <5S+ 0 0 23 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.930 126.9 32.4 -74.3 -45.5 26.9 13.3 41.1 99 99 A H H <5S+ 0 0 35 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.814 133.1 23.3 -88.9 -32.1 27.0 16.5 39.0 100 100 A K T <5S+ 0 0 137 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.1 0.800 132.4 35.1-102.1 -39.1 30.7 17.1 38.6 101 101 A E S S- 0 0 59 1,-0.1 4,-2.6 -34,-0.0 5,-0.2 -0.967 80.6-112.0-144.0 157.4 24.0 1.2 46.0 108 108 A P H > S+ 0 0 18 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.839 117.3 57.8 -62.4 -31.3 24.7 1.7 49.7 109 109 A E H > S+ 0 0 114 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.939 110.1 42.8 -62.7 -46.1 28.1 -0.1 49.3 110 110 A E H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.925 115.7 49.9 -63.9 -43.8 29.1 2.6 46.7 111 111 A X H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 5,-0.3 0.931 110.5 48.7 -59.4 -49.0 27.7 5.4 48.8 112 112 A A H X S+ 0 0 1 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.895 111.6 48.9 -62.8 -41.7 29.4 4.3 52.0 113 113 A D H X S+ 0 0 96 -4,-2.0 4,-0.5 -5,-0.2 -1,-0.2 0.913 115.8 44.0 -65.6 -40.5 32.8 3.9 50.3 114 114 A F H >< S+ 0 0 24 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.954 115.2 47.1 -65.9 -49.8 32.5 7.4 48.7 115 115 A L H ><>S+ 0 0 0 -4,-3.3 5,-2.0 1,-0.3 3,-2.0 0.776 98.5 70.0 -67.9 -25.1 31.2 9.0 51.9 116 116 A A H ><5S+ 0 0 50 -4,-1.9 3,-0.7 1,-0.3 -1,-0.3 0.800 98.4 51.8 -59.7 -28.0 33.9 7.4 54.0 117 117 A G T <<5S+ 0 0 64 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.437 106.4 55.8 -86.9 -0.5 36.3 9.7 52.1 118 118 A K T < 5S- 0 0 90 -3,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.029 127.8 -89.1-119.5 22.7 34.1 12.7 53.0 119 119 A G T < 5S+ 0 0 78 -3,-0.7 2,-0.5 1,-0.2 -3,-0.2 0.733 84.8 131.7 79.7 24.6 34.1 12.2 56.8 120 120 A V < - 0 0 6 -5,-2.0 2,-0.3 -8,-0.1 -1,-0.2 -0.943 61.3-118.3-112.5 125.0 31.1 9.9 57.1 121 121 A D > - 0 0 77 -2,-0.5 4,-2.2 1,-0.2 5,-0.1 -0.413 18.7-152.0 -65.6 121.6 31.4 6.7 59.1 122 122 A K H > S+ 0 0 74 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.902 90.9 48.4 -62.7 -45.1 30.9 3.7 56.9 123 123 A E H > S+ 0 0 129 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 113.5 46.3 -67.7 -40.8 29.5 1.3 59.5 124 124 A K H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.886 112.7 52.8 -66.2 -36.0 27.0 3.8 60.9 125 125 A F H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.2 0.955 111.9 43.0 -62.6 -50.7 26.0 4.7 57.3 126 126 A L H X S+ 0 0 31 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.917 114.4 50.8 -64.5 -43.0 25.3 1.1 56.3 127 127 A S H < S+ 0 0 87 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.925 116.3 41.4 -58.8 -45.2 23.6 0.3 59.6 128 128 A T H >< S+ 0 0 26 -4,-2.4 3,-1.8 -5,-0.2 6,-0.4 0.948 113.4 51.9 -67.7 -49.4 21.3 3.3 59.2 129 129 A Y H 3< S+ 0 0 14 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.3 43.5 -56.7 -38.8 20.7 2.9 55.4 130 130 A N T 3< S+ 0 0 103 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.307 90.6 123.3 -92.0 8.6 19.6 -0.7 55.9 131 131 A S <> - 0 0 31 -3,-1.8 4,-1.4 1,-0.1 3,-0.2 -0.376 67.9-131.4 -78.8 149.8 17.5 -0.1 58.9 132 132 A F H > S+ 0 0 179 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.912 109.6 61.6 -57.5 -42.6 13.8 -1.0 59.3 133 133 A A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 100.4 51.6 -52.9 -43.1 13.4 2.6 60.6 134 134 A I H > S+ 0 0 1 -6,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.857 104.1 57.6 -68.9 -31.9 14.6 4.1 57.3 135 135 A K H X S+ 0 0 138 -4,-1.4 4,-2.0 -3,-0.4 -1,-0.2 0.913 107.0 49.4 -60.2 -40.9 12.1 2.0 55.4 136 136 A G H X S+ 0 0 44 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.914 110.1 49.8 -62.1 -43.2 9.3 3.6 57.5 137 137 A Q H X S+ 0 0 78 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.877 108.5 53.7 -65.1 -37.0 10.7 7.0 56.8 138 138 A X H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.923 108.0 48.8 -62.4 -47.0 10.8 6.3 53.1 139 139 A E H X S+ 0 0 80 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 112.0 49.5 -62.3 -40.9 7.1 5.3 53.0 140 140 A K H X S+ 0 0 126 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.916 110.3 50.2 -62.8 -42.6 6.2 8.4 55.0 141 141 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.864 109.8 51.1 -66.5 -35.1 8.1 10.6 52.6 142 142 A K H X S+ 0 0 67 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.947 111.2 48.1 -63.5 -47.5 6.5 9.0 49.6 143 143 A K H X S+ 0 0 116 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.880 110.3 52.0 -62.4 -38.5 3.0 9.6 51.1 144 144 A L H X S+ 0 0 28 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.936 108.0 50.1 -63.4 -46.4 3.9 13.2 51.9 145 145 A A H X>S+ 0 0 7 -4,-2.1 5,-1.9 1,-0.2 4,-0.6 0.896 112.1 49.2 -60.1 -38.6 5.0 13.9 48.3 146 146 A X H ><5S+ 0 0 144 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.914 110.2 50.3 -66.6 -40.9 1.7 12.4 47.1 147 147 A A H 3<5S+ 0 0 43 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.865 111.1 48.8 -63.3 -36.5 -0.3 14.5 49.5 148 148 A Y H 3<5S- 0 0 3 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.586 105.7-133.7 -77.8 -12.0 1.5 17.6 48.3 149 149 A Q T <<5 - 0 0 130 -3,-0.7 2,-0.2 -4,-0.6 -3,-0.2 0.883 37.2-177.7 58.7 43.6 0.8 16.6 44.7 150 150 A V < + 0 0 17 -5,-1.9 -1,-0.2 1,-0.1 3,-0.1 -0.521 21.9 174.9 -77.8 136.8 4.4 17.3 43.7 151 151 A T + 0 0 123 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 0.539 62.9 5.3-114.9 -15.5 5.4 16.9 40.1 152 152 A G S S- 0 0 18 -120,-0.0 3,-0.1 -119,-0.0 -1,-0.1 -0.843 78.2 -61.6-156.5-173.2 9.0 18.1 40.0 153 153 A V S S+ 0 0 29 -2,-0.2 -114,-0.2 1,-0.2 -120,-0.2 -0.975 92.6 28.4-151.7 155.4 11.9 19.4 42.0 154 154 A P S S+ 0 0 6 0, 0.0 12,-0.8 0, 0.0 2,-0.4 0.546 81.3 170.6 -75.0 139.7 13.1 21.4 43.8 155 155 A T E -DE 32 165B 3 -123,-2.2 -123,-2.9 10,-0.2 2,-0.4 -0.929 21.8-152.1-122.5 142.5 9.7 22.1 45.2 156 156 A X E -DE 31 164B 2 8,-3.3 8,-2.4 -2,-0.4 2,-0.4 -0.886 6.9-170.1-109.3 143.8 8.6 24.2 48.2 157 157 A V E -DE 30 163B 0 -127,-2.1 -127,-2.6 -2,-0.4 2,-0.5 -0.991 9.0-154.9-133.8 125.4 5.5 23.7 50.3 158 158 A V E >> S-DE 29 162B 0 4,-2.6 3,-2.3 -2,-0.4 4,-2.0 -0.896 72.4 -20.3-104.6 126.5 4.4 26.3 52.8 159 159 A N T 34 S- 0 0 35 -131,-3.2 -1,-0.2 -2,-0.5 -138,-0.1 0.706 111.2 -72.8 53.1 32.4 2.2 25.2 55.8 160 160 A G T 34 S+ 0 0 0 2,-0.2 -141,-2.6 -132,-0.1 -1,-0.3 0.649 129.9 78.3 62.6 19.5 1.1 22.0 54.1 161 161 A K T <4 S+ 0 0 52 -3,-2.3 -146,-3.0 1,-0.3 2,-0.5 0.687 78.3 52.3-130.2 -36.8 -1.0 24.3 51.9 162 162 A Y E < -BE 14 158B 0 -4,-2.0 -4,-2.6 -148,-0.2 2,-0.4 -0.965 57.1-166.2-122.5 124.7 0.9 26.1 49.1 163 163 A R E +BE 13 157B 43 -150,-2.7 -150,-2.5 -2,-0.5 2,-0.3 -0.888 19.7 151.0-110.2 136.3 3.1 24.4 46.6 164 164 A F E - E 0 156B 4 -8,-2.4 -8,-3.3 -2,-0.4 2,-0.2 -0.981 18.8-164.6-155.3 163.4 5.5 26.3 44.3 165 165 A D E > - E 0 155B 46 -154,-0.4 4,-2.3 -2,-0.3 5,-0.2 -0.802 42.6 -87.4-143.4-175.6 8.8 25.8 42.5 166 166 A I H >>S+ 0 0 35 -12,-0.8 4,-2.1 -2,-0.2 5,-2.0 0.925 123.9 46.8 -66.9 -42.7 11.5 27.8 40.8 167 167 A G H 45S+ 0 0 68 2,-0.2 -1,-0.2 1,-0.2 -156,-0.0 0.907 113.3 48.1 -62.6 -44.0 9.8 27.8 37.5 168 168 A S H 45S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.890 115.9 43.9 -68.1 -36.6 6.5 28.8 38.9 169 169 A A H <5S- 0 0 14 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.782 114.2-116.1 -77.6 -29.5 8.0 31.6 41.0 170 170 A G T <5S- 0 0 51 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.671 73.7 -11.6 102.0 20.1 10.2 32.8 38.1 171 171 A G S > S+ 0 0 63 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.931 127.7 38.6 -62.8 -51.5 15.7 31.4 42.6 173 173 A E H > S+ 0 0 128 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.870 113.7 57.5 -67.3 -34.4 15.4 34.6 44.5 174 174 A E H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 102.2 56.0 -61.5 -35.4 11.7 34.9 43.4 175 175 A T H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.908 108.3 46.6 -64.4 -42.1 11.1 31.5 45.0 176 176 A L H X S+ 0 0 25 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.878 111.4 51.3 -67.8 -39.2 12.4 32.8 48.4 177 177 A K H X S+ 0 0 107 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.901 111.0 48.4 -64.1 -39.6 10.3 36.0 48.1 178 178 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.922 110.6 51.5 -65.4 -43.1 7.2 33.9 47.3 179 179 A A H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.950 110.4 48.8 -56.7 -49.4 8.0 31.7 50.3 180 180 A D H X S+ 0 0 81 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.903 111.8 50.1 -57.1 -41.2 8.3 34.8 52.5 181 181 A Y H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.923 112.9 44.1 -65.1 -46.1 5.0 36.1 51.2 182 182 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.883 112.4 53.0 -69.6 -36.7 3.1 32.9 51.8 183 183 A I H X S+ 0 0 4 -4,-2.8 4,-2.7 -5,-0.3 -2,-0.2 0.940 111.3 46.6 -59.0 -47.7 4.7 32.5 55.3 184 184 A E H X S+ 0 0 94 -4,-2.4 4,-3.1 -5,-0.2 5,-0.3 0.879 108.4 56.2 -63.7 -37.1 3.6 36.0 56.1 185 185 A K H X S+ 0 0 75 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.936 112.2 42.3 -59.0 -45.6 0.1 35.2 54.8 186 186 A E H X S+ 0 0 25 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.904 113.7 52.4 -66.8 -41.2 -0.1 32.3 57.1 187 187 A R H X S+ 0 0 46 -4,-2.7 4,-0.7 1,-0.2 3,-0.3 0.945 112.1 44.9 -60.7 -49.0 1.4 34.3 60.0 188 188 A A H >X S+ 0 0 43 -4,-3.1 4,-1.3 1,-0.2 3,-0.9 0.877 109.2 55.7 -63.5 -40.2 -1.1 37.1 59.6 189 189 A A H 3< S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.841 106.6 51.3 -63.4 -32.6 -4.1 34.8 59.2 190 190 A A H 3< S+ 0 0 92 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.626 108.0 53.0 -80.4 -13.4 -3.3 33.1 62.6 191 191 A K H << 0 0 154 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.723 360.0 360.0 -92.1 -25.4 -3.1 36.5 64.3 192 192 A K < 0 0 212 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.1 0.614 360.0 360.0 -42.3 360.0 -6.5 37.8 63.2