==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-OCT-01 1K6K . COMPND 2 MOLECULE: ATP-DEPENDENT CLP PROTEASE ATP-BINDING SUBUNIT . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.GUO,M.R.MAURIZI,L.ESSER,D.XIA . 142 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8489.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.4 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 51.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 0 0 0 3 2 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL 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 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 M 0 0 124 0, 0.0 102,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 77.6 60.7 16.9 177.7 2 2 A L B -a 103 0A 54 100,-0.2 102,-0.1 1,-0.1 100,-0.1 -0.641 360.0-124.6 -80.1 129.9 58.1 15.7 175.2 3 3 A N >> - 0 0 13 100,-2.2 4,-2.4 -2,-0.4 3,-0.7 -0.271 27.9-101.8 -71.0 161.3 59.4 13.0 172.8 4 4 A Q H 3> S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.865 120.5 49.9 -50.9 -45.2 59.2 13.5 169.1 5 5 A E H 3> S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.793 111.0 47.9 -67.9 -30.3 56.1 11.3 168.6 6 6 A L H <> S+ 0 0 0 -3,-0.7 4,-2.7 97,-0.2 5,-0.2 0.886 109.6 53.3 -77.0 -38.7 54.1 13.0 171.4 7 7 A E H X S+ 0 0 108 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.918 110.4 48.8 -58.9 -43.1 55.0 16.4 170.0 8 8 A L H X S+ 0 0 99 -4,-2.0 4,-2.8 -5,-0.2 5,-0.2 0.943 109.6 50.6 -61.6 -49.9 53.6 15.2 166.7 9 9 A S H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.939 112.9 46.8 -54.4 -49.1 50.4 13.8 168.2 10 10 A L H X S+ 0 0 18 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.875 112.7 48.8 -62.4 -38.9 49.9 17.2 170.0 11 11 A N H X S+ 0 0 90 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.876 111.6 50.3 -68.6 -36.0 50.6 19.2 166.9 12 12 A M H X S+ 0 0 117 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.830 107.4 54.4 -69.2 -33.8 48.2 17.0 164.9 13 13 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.948 111.9 43.1 -64.6 -48.8 45.5 17.5 167.6 14 14 A F H X S+ 0 0 47 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.917 113.8 52.0 -62.0 -43.5 45.8 21.3 167.2 15 15 A A H X S+ 0 0 45 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.908 110.3 48.8 -58.8 -44.3 45.9 21.0 163.4 16 16 A R H X S+ 0 0 72 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.922 111.2 49.0 -62.1 -46.8 42.8 18.8 163.4 17 17 A A H X>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 4,-0.7 0.878 110.2 50.7 -62.7 -39.7 40.9 21.3 165.7 18 18 A R H <5S+ 0 0 136 -4,-2.4 3,-0.4 3,-0.2 -1,-0.2 0.891 108.6 53.0 -65.1 -39.3 41.8 24.3 163.6 19 19 A E H <5S+ 0 0 161 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.6 40.5 -60.9 -46.3 40.6 22.4 160.5 20 20 A H H <5S- 0 0 64 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.509 108.1-126.4 -80.9 -5.8 37.2 21.7 162.1 21 21 A R T <5 + 0 0 101 -4,-0.7 48,-3.6 -3,-0.4 2,-0.3 0.859 44.0 175.4 61.5 34.8 37.2 25.2 163.6 22 22 A H B < -B 68 0B 5 -5,-2.4 46,-0.2 46,-0.2 -1,-0.2 -0.580 29.4-143.1 -72.4 133.6 36.6 23.7 167.0 23 23 A E S S+ 0 0 55 44,-2.4 56,-1.3 -2,-0.3 2,-0.3 0.808 76.4 10.2 -69.9 -31.3 36.6 26.4 169.7 24 24 A F E -c 79 0C 67 43,-0.3 2,-0.5 54,-0.2 -1,-0.1 -0.953 63.3-133.3-146.0 165.0 38.3 24.3 172.3 25 25 A M E -c 80 0C 0 54,-2.0 56,-3.1 -2,-0.3 59,-0.3 -0.987 24.7-173.8-122.6 125.3 40.2 21.0 172.8 26 26 A T > - 0 0 21 -2,-0.5 4,-1.4 54,-0.2 3,-0.5 -0.418 47.9 -85.6-106.0-175.4 39.3 18.7 175.7 27 27 A V H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.767 126.3 63.9 -63.5 -23.5 40.9 15.5 177.0 28 28 A E H > S+ 0 0 16 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.921 100.7 49.1 -66.4 -42.8 38.7 13.7 174.5 29 29 A H H > S+ 0 0 8 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.861 111.2 53.1 -60.7 -37.7 40.6 15.4 171.6 30 30 A L H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.944 107.6 47.4 -64.7 -49.3 43.8 14.3 173.4 31 31 A L H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.909 110.6 53.6 -60.3 -40.3 42.9 10.7 173.6 32 32 A L H >< S+ 0 0 4 -4,-2.2 3,-1.1 1,-0.2 4,-0.4 0.949 107.7 50.3 -58.6 -47.9 41.8 10.6 170.0 33 33 A A H >< S+ 0 0 18 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.881 107.4 55.7 -56.3 -40.8 45.2 12.1 169.0 34 34 A L H >< S+ 0 0 1 -4,-2.0 3,-1.6 1,-0.2 7,-0.3 0.685 86.2 76.8 -67.8 -21.7 46.9 9.4 171.0 35 35 A L T << S+ 0 0 9 -3,-1.1 -1,-0.2 -4,-1.1 -2,-0.2 0.731 103.1 42.1 -62.8 -17.7 45.2 6.5 169.2 36 36 A S T < S+ 0 0 57 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.337 90.3 107.4-106.3 0.8 47.7 7.2 166.4 37 37 A N <> - 0 0 3 -3,-1.6 4,-3.3 1,-0.1 5,-0.3 -0.724 68.5-140.1 -83.8 124.6 50.6 7.7 168.8 38 38 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.871 99.5 47.7 -50.0 -46.1 53.0 4.7 168.5 39 39 A S H > S+ 0 0 32 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.943 118.4 38.5 -64.2 -50.3 53.7 4.6 172.2 40 40 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 115.7 52.9 -69.1 -39.0 50.1 4.8 173.4 41 41 A R H X S+ 0 0 90 -4,-3.3 4,-2.9 -7,-0.3 5,-0.2 0.916 106.3 52.6 -62.6 -44.9 48.8 2.6 170.5 42 42 A E H X S+ 0 0 108 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.875 109.2 51.0 -58.7 -38.8 51.3 -0.2 171.4 43 43 A A H X S+ 0 0 0 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.884 111.7 46.3 -68.1 -37.9 50.0 -0.1 175.0 44 44 A L H ><>S+ 0 0 1 -4,-1.9 5,-1.9 2,-0.2 3,-0.6 0.888 110.3 52.8 -71.7 -38.2 46.4 -0.4 173.9 45 45 A E H ><5S+ 0 0 111 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.883 102.6 58.7 -63.7 -37.7 47.1 -3.2 171.5 46 46 A A H 3<5S+ 0 0 61 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.796 105.0 51.8 -61.0 -27.0 48.9 -5.1 174.3 47 47 A C T <<5S- 0 0 31 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.226 114.5-120.3 -93.3 12.8 45.5 -4.9 176.1 48 48 A S T < 5 + 0 0 113 -3,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.820 52.0 170.7 51.3 37.5 43.7 -6.3 173.0 49 49 A V < - 0 0 15 -5,-1.9 2,-1.6 1,-0.1 -1,-0.2 -0.570 41.7-121.7 -80.6 138.0 41.6 -3.1 172.8 50 50 A D > - 0 0 93 77,-0.3 4,-2.2 -2,-0.3 5,-0.2 -0.641 33.1-180.0 -79.4 92.1 39.3 -2.6 169.7 51 51 A L H > S+ 0 0 34 -2,-1.6 4,-2.5 1,-0.2 5,-0.2 0.789 76.2 59.2 -64.7 -28.9 40.9 0.6 168.6 52 52 A V H > S+ 0 0 116 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 110.2 40.7 -64.4 -50.2 38.5 0.8 165.6 53 53 A A H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.899 115.8 51.1 -65.1 -43.0 35.4 0.8 167.8 54 54 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 110.5 48.4 -62.8 -44.1 37.0 3.1 170.4 55 55 A R H X S+ 0 0 88 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.925 109.4 52.3 -63.7 -44.6 38.0 5.7 167.8 56 56 A Q H X S+ 0 0 144 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.911 112.5 43.9 -59.8 -44.2 34.6 5.8 166.1 57 57 A E H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.898 115.5 50.2 -68.9 -36.7 32.8 6.4 169.3 58 58 A L H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.934 110.5 48.2 -66.3 -45.8 35.4 9.0 170.3 59 59 A E H X S+ 0 0 63 -4,-3.3 4,-1.9 1,-0.2 -1,-0.2 0.880 112.0 51.3 -62.3 -37.4 35.2 10.8 167.0 60 60 A A H X S+ 0 0 37 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.917 108.5 49.3 -66.2 -46.0 31.4 10.9 167.2 61 61 A F H X S+ 0 0 54 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.872 110.3 52.0 -62.2 -38.8 31.3 12.3 170.7 62 62 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 3,-0.4 0.943 111.1 45.7 -64.6 -47.6 33.7 15.1 169.8 63 63 A E H < S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.2 47.9 -61.9 -44.7 31.7 16.2 166.7 64 64 A Q H < S+ 0 0 157 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.668 123.5 32.2 -73.1 -15.6 28.4 16.2 168.5 65 65 A T H < S+ 0 0 69 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.591 94.7 88.6-118.8 -15.2 29.7 18.1 171.5 66 66 A T S < S- 0 0 9 -4,-2.4 2,-0.1 -5,-0.2 -41,-0.0 -0.786 74.3-123.7 -94.1 126.4 32.4 20.5 170.4 67 67 A P - 0 0 50 0, 0.0 -44,-2.4 0, 0.0 2,-0.5 -0.370 18.6-138.3 -65.4 138.5 31.3 24.0 169.2 68 68 A V B -B 22 0B 85 -46,-0.2 -46,-0.2 -45,-0.1 -47,-0.1 -0.884 26.3-109.2-103.4 123.4 32.3 25.1 165.7 69 69 A L - 0 0 13 -48,-3.6 -47,-0.0 -2,-0.5 -1,-0.0 -0.237 39.8-115.4 -51.5 123.9 33.5 28.7 165.3 70 70 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -49,-0.0 -0.188 32.3 -97.3 -59.9 155.6 30.8 30.7 163.4 71 71 A A S S+ 0 0 89 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.579 102.0 97.2 -51.6 -6.7 31.7 32.0 160.0 72 72 A S S S- 0 0 55 1,-0.1 2,-0.1 0, 0.0 -3,-0.0 0.403 77.4 -96.5 -64.6-154.5 32.4 35.2 162.0 73 73 A E + 0 0 109 2,-0.0 3,-0.2 3,-0.0 -1,-0.1 -0.170 68.9 62.8-111.9-155.7 35.8 36.5 163.2 74 74 A E S S+ 0 0 146 1,-0.2 2,-2.6 -2,-0.1 0, 0.0 0.324 84.5 47.3 54.7 169.8 37.9 36.5 166.4 75 75 A E + 0 0 107 1,-0.1 2,-3.6 3,-0.0 -1,-0.2 -0.388 59.0 166.5 67.4 -72.4 39.4 33.5 168.2 76 76 A R + 0 0 208 -2,-2.6 2,-0.2 -3,-0.2 -1,-0.1 -0.268 57.1 66.5 62.5 -65.9 40.8 31.9 165.0 77 77 A D S S- 0 0 82 -2,-3.6 2,-0.1 1,-0.1 -63,-0.0 -0.596 86.1-118.8 -89.6 148.5 42.9 29.5 167.1 78 78 A T - 0 0 3 -2,-0.2 -54,-0.2 -64,-0.2 -55,-0.1 -0.391 24.0-139.4 -79.5 157.6 41.5 26.7 169.3 79 79 A Q E -c 24 0C 131 -56,-1.3 -54,-2.0 -2,-0.1 2,-0.1 -0.975 11.6-124.1-126.1 132.4 42.2 26.6 173.0 80 80 A P E -c 25 0C 33 0, 0.0 -54,-0.2 0, 0.0 2,-0.1 -0.473 32.0-133.6 -68.5 139.3 43.1 23.6 175.2 81 81 A T > - 0 0 31 -56,-3.1 4,-2.4 -2,-0.1 5,-0.2 -0.285 27.7 -93.6 -87.2 177.6 40.7 23.3 178.2 82 82 A L H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.853 125.5 52.8 -59.6 -37.4 41.5 22.6 181.8 83 83 A S H > S+ 0 0 21 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.890 109.8 49.0 -66.5 -38.9 41.1 18.8 181.4 84 84 A F H > S+ 0 0 10 -59,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.947 115.5 43.3 -63.4 -49.9 43.5 18.9 178.4 85 85 A Q H X S+ 0 0 89 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.889 110.9 53.7 -64.6 -43.0 46.1 20.9 180.4 86 86 A R H X S+ 0 0 98 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.906 108.1 50.5 -60.0 -43.3 45.8 18.9 183.7 87 87 A V H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.906 111.9 47.0 -61.9 -43.2 46.4 15.6 181.9 88 88 A L H X S+ 0 0 48 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.918 113.5 47.6 -65.8 -44.6 49.6 17.0 180.2 89 89 A Q H X S+ 0 0 122 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.892 110.7 53.4 -64.1 -37.9 50.9 18.5 183.5 90 90 A R H X S+ 0 0 81 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.937 111.9 43.8 -62.8 -46.6 50.2 15.2 185.3 91 91 A A H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.944 113.1 52.1 -63.4 -48.9 52.1 13.2 182.7 92 92 A V H X S+ 0 0 39 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.917 115.1 39.2 -54.8 -50.4 55.0 15.7 182.6 93 93 A F H X S+ 0 0 114 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.736 112.3 56.3 -76.8 -21.3 55.6 15.8 186.4 94 94 A H H < S+ 0 0 137 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.877 112.0 43.8 -74.2 -37.0 55.0 12.1 186.9 95 95 A V H < S+ 0 0 11 -4,-2.3 5,-0.3 1,-0.2 -2,-0.2 0.882 107.4 59.5 -72.2 -38.7 57.7 11.4 184.4 96 96 A Q H < S+ 0 0 136 -4,-2.0 3,-0.4 -5,-0.2 -2,-0.2 0.919 90.7 88.9 -53.8 -45.1 59.9 14.1 186.0 97 97 A S S < S- 0 0 72 -4,-1.6 3,-0.2 1,-0.2 -3,-0.0 -0.193 115.0 -45.6 -54.2 145.7 59.7 12.1 189.2 98 98 A S S S+ 0 0 130 1,-0.1 -1,-0.2 0, 0.0 2,-0.2 0.284 118.3 70.5 -15.9 93.1 62.4 9.4 189.6 99 99 A G S S- 0 0 49 -3,-0.4 -1,-0.1 1,-0.2 2,-0.1 -0.586 85.7 -20.3-171.7-122.3 62.2 8.0 186.1 100 100 A R - 0 0 143 -5,-0.3 -1,-0.2 -3,-0.2 3,-0.0 -0.377 42.8-124.6-105.7-175.3 63.1 9.0 182.6 101 101 A N S S+ 0 0 142 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.800 87.3 69.0 -97.7 -38.8 63.8 12.2 180.8 102 102 A E - 0 0 102 -100,-0.1 2,-0.5 -7,-0.1 -100,-0.2 -0.604 68.8-143.6 -89.0 142.2 61.3 11.9 178.0 103 103 A V B -a 2 0A 4 -102,-2.9 -100,-2.2 -2,-0.3 -97,-0.2 -0.873 25.4-164.2-100.2 130.9 57.5 12.0 178.3 104 104 A T > - 0 0 30 -2,-0.5 4,-1.6 -102,-0.1 3,-0.4 -0.645 35.6-105.2-112.1 172.3 55.7 9.5 175.9 105 105 A G H > S+ 0 0 0 1,-0.2 4,-2.3 -2,-0.2 5,-0.1 0.828 120.6 59.7 -63.0 -31.0 52.2 9.1 174.6 106 106 A A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.857 102.5 51.8 -65.9 -34.6 51.9 6.1 176.9 107 107 A N H > S+ 0 0 34 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.887 110.0 48.9 -67.7 -39.2 52.6 8.4 179.9 108 108 A V H X S+ 0 0 0 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.906 107.1 56.2 -66.7 -40.5 49.9 10.7 178.8 109 109 A L H >X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.899 106.3 50.0 -57.8 -42.7 47.5 7.8 178.3 110 110 A V H >< S+ 0 0 38 -4,-1.7 3,-0.9 1,-0.2 4,-0.4 0.909 106.6 55.7 -63.0 -42.0 48.0 6.8 181.9 111 111 A A H >< S+ 0 0 4 -4,-1.7 3,-0.9 1,-0.2 4,-0.2 0.706 95.7 67.1 -63.8 -22.2 47.3 10.4 183.1 112 112 A I H X< S+ 0 0 0 -4,-1.1 3,-1.9 -3,-0.6 -1,-0.2 0.848 87.8 65.8 -69.9 -31.6 43.9 10.4 181.3 113 113 A F T << S+ 0 0 29 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.734 91.1 66.2 -61.3 -20.7 42.5 7.8 183.7 114 114 A S T < S+ 0 0 64 -3,-0.9 2,-1.8 -4,-0.4 -1,-0.3 0.640 79.0 79.9 -76.3 -16.7 42.8 10.4 186.4 115 115 A E X + 0 0 14 -3,-1.9 3,-1.7 -4,-0.2 6,-0.5 -0.596 68.7 176.6 -88.4 71.6 40.2 12.5 184.8 116 116 A Q T 3 + 0 0 146 -2,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.794 68.9 43.6 -47.1 -46.8 37.6 10.2 186.4 117 117 A E T 3 S+ 0 0 193 -3,-0.2 -1,-0.3 4,-0.1 2,-0.1 0.399 89.5 114.0 -87.5 5.1 34.4 12.0 185.3 118 118 A S S <> S- 0 0 17 -3,-1.7 4,-2.0 -6,-0.2 5,-0.1 -0.391 73.2-128.0 -77.8 152.0 35.5 12.6 181.7 119 119 A Q H > S+ 0 0 58 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.811 111.6 61.9 -66.1 -27.6 33.9 10.9 178.7 120 120 A A H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.945 107.5 40.9 -61.7 -48.7 37.4 9.9 177.7 121 121 A A H > S+ 0 0 1 -6,-0.5 4,-1.9 1,-0.2 -2,-0.2 0.840 112.9 55.9 -67.9 -34.8 37.8 7.8 180.9 122 122 A Y H X S+ 0 0 128 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.912 108.3 48.0 -63.1 -43.4 34.2 6.6 180.5 123 123 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.826 107.5 54.6 -69.3 -32.7 35.0 5.3 177.1 124 124 A L H <>S+ 0 0 0 -4,-1.6 5,-3.3 2,-0.2 -1,-0.2 0.918 112.1 44.3 -67.7 -40.2 38.2 3.5 178.2 125 125 A R H ><5S+ 0 0 129 -4,-1.9 3,-1.6 3,-0.2 -2,-0.2 0.900 111.1 55.1 -68.3 -40.0 36.3 1.6 180.8 126 126 A K H 3<5S+ 0 0 108 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.908 110.3 44.7 -59.0 -43.5 33.5 0.9 178.4 127 127 A H T 3<5S- 0 0 40 -4,-2.2 -77,-0.3 -5,-0.1 -1,-0.3 0.163 120.6-110.8 -89.6 20.7 36.0 -0.7 175.9 128 128 A E T < 5 + 0 0 164 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.805 57.3 161.3 57.0 40.4 37.6 -2.6 178.8 129 129 A V < - 0 0 7 -5,-3.3 2,-0.5 -6,-0.1 -1,-0.2 -0.803 27.6-151.8 -91.5 107.0 40.9 -0.7 178.9 130 130 A S > - 0 0 37 -2,-0.9 4,-1.9 1,-0.2 3,-0.3 -0.687 11.7-153.4 -83.9 123.8 42.3 -1.5 182.4 131 131 A R H > S+ 0 0 149 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.775 96.9 62.7 -64.2 -25.0 44.7 1.1 183.8 132 132 A L H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.928 105.9 44.2 -64.6 -44.0 46.3 -1.6 185.8 133 133 A D H > S+ 0 0 88 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.882 111.5 52.1 -68.2 -41.5 47.4 -3.4 182.5 134 134 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.932 109.9 50.1 -61.4 -45.4 48.6 -0.2 180.8 135 135 A V H X S+ 0 0 57 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.871 110.1 49.1 -61.3 -41.2 50.7 0.7 183.8 136 136 A N H X S+ 0 0 91 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.893 109.5 51.5 -67.8 -40.3 52.4 -2.7 184.0 137 137 A F H < S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.906 114.7 43.5 -62.6 -41.4 53.2 -2.7 180.3 138 138 A I H >< S+ 0 0 33 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.887 106.5 58.9 -72.2 -41.1 54.8 0.7 180.6 139 139 A S H 3< S+ 0 0 66 -4,-2.5 2,-0.4 1,-0.3 -1,-0.2 0.878 110.4 45.2 -55.8 -38.3 56.7 0.0 183.8 140 140 A H T 3< S+ 0 0 161 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.1 -0.387 107.2 70.6-102.2 52.9 58.5 -2.8 182.0 141 141 A G < 0 0 42 -3,-1.3 -1,-0.1 -2,-0.4 -4,-0.0 -0.548 360.0 360.0-171.1 97.9 59.1 -0.8 178.9 142 142 A T 0 0 103 -2,-0.1 -42,-0.1 -3,-0.0 -2,-0.1 0.995 360.0 360.0 74.7 360.0 61.6 2.1 178.6