==== 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 22-MAR-02 1L9G . COMPND 2 MOLECULE: CONSERVED HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR K.R.RAJASHANKAR,T.DODATKO,R.A.THIRUMURUHAN,M.SANDIGURSKY, . 191 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.1 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 . 1 0.5 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 . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 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 3 0 0 0 0 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 219 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -54.3 45.5 20.6 89.5 2 2 A Y - 0 0 134 4,-0.0 2,-0.3 3,-0.0 3,-0.1 -0.996 360.0-142.1-148.5 149.8 45.5 21.5 93.1 3 3 A T > - 0 0 60 -2,-0.3 4,-1.7 1,-0.1 5,-0.2 -0.795 24.5-123.2-113.9 157.0 47.7 23.5 95.5 4 4 A R H > S+ 0 0 76 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.939 113.7 58.3 -59.0 -45.6 48.7 23.0 99.0 5 5 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 105.3 48.7 -48.5 -52.4 47.3 26.4 99.8 6 6 A E H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.855 110.2 50.7 -58.6 -40.6 43.9 25.4 98.5 7 7 A L H X S+ 0 0 63 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.891 109.2 50.4 -67.5 -38.7 43.8 22.2 100.5 8 8 A M H X S+ 0 0 18 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.838 108.7 53.5 -68.0 -32.1 44.7 23.9 103.7 9 9 A E H X S+ 0 0 94 -4,-1.8 4,-2.9 -5,-0.3 -1,-0.2 0.872 106.8 51.2 -69.5 -36.6 41.9 26.4 103.1 10 10 A I H X S+ 0 0 54 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.926 110.2 49.3 -65.0 -43.5 39.5 23.6 102.7 11 11 A V H X S+ 0 0 12 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.936 111.7 50.9 -57.1 -46.1 40.7 22.2 106.0 12 12 A S H X S+ 0 0 17 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.913 110.5 46.8 -58.1 -48.5 40.2 25.7 107.4 13 13 A E H X S+ 0 0 97 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.891 111.5 50.8 -63.3 -42.0 36.6 26.0 106.1 14 14 A R H X S+ 0 0 171 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.839 109.8 51.8 -67.0 -30.2 35.6 22.6 107.4 15 15 A V H >< S+ 0 0 2 -4,-1.9 3,-1.3 -5,-0.2 -2,-0.2 0.941 105.0 53.1 -71.1 -46.0 37.0 23.5 110.7 16 16 A K H 3< S+ 0 0 117 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 115.9 42.8 -57.4 -28.8 35.1 26.8 111.0 17 17 A K H 3< S+ 0 0 94 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.500 90.0 117.3 -94.6 -7.1 32.0 24.7 110.2 18 18 A C << + 0 0 31 -3,-1.3 -3,-0.1 -4,-0.5 -4,-0.0 -0.336 25.1 162.6 -66.4 144.5 32.9 21.8 112.5 19 19 A T + 0 0 92 -2,-0.0 -1,-0.1 5,-0.0 6,-0.1 -0.049 33.2 128.7-145.5 22.0 30.6 21.0 115.5 20 20 A A S S+ 0 0 65 84,-0.1 85,-0.0 3,-0.0 -2,-0.0 0.805 72.8 23.9 -55.7 -34.6 32.0 17.5 116.1 21 21 A C S > S- 0 0 23 1,-0.0 3,-1.8 80,-0.0 4,-0.3 -0.843 89.9 -96.5-131.8 170.0 32.6 18.1 119.7 22 22 A P G > S+ 0 0 82 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.747 108.2 79.3 -53.2 -27.6 31.4 20.3 122.6 23 23 A L G >> S+ 0 0 3 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.668 77.6 69.8 -60.1 -17.0 34.3 22.7 122.1 24 24 A H G <4 S+ 0 0 53 -3,-1.8 -1,-0.3 1,-0.2 66,-0.1 0.822 92.0 59.5 -71.8 -27.0 32.6 24.4 119.2 25 25 A L G <4 S+ 0 0 139 -3,-1.6 -1,-0.2 -4,-0.3 -2,-0.2 0.750 111.3 39.7 -72.1 -21.6 30.1 26.0 121.5 26 26 A N T <4 S+ 0 0 56 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.1 0.899 90.4 90.5 -94.5 -49.6 32.7 27.8 123.5 27 27 A R < - 0 0 56 -4,-1.6 3,-0.1 63,-0.2 62,-0.1 -0.045 53.1-156.3 -55.0 153.1 35.4 29.1 121.1 28 28 A T S S+ 0 0 95 1,-0.4 2,-0.3 25,-0.0 -1,-0.1 0.729 83.6 6.8 -96.9 -35.3 35.3 32.6 119.6 29 29 A N S S- 0 0 70 59,-0.1 -1,-0.4 24,-0.0 61,-0.3 -0.984 78.9-118.1-148.7 139.2 37.5 31.7 116.6 30 30 A V - 0 0 16 -2,-0.3 2,-0.6 -3,-0.1 59,-0.2 -0.489 21.8-142.4 -75.5 151.1 38.9 28.4 115.4 31 31 A V + 0 0 1 57,-2.2 54,-0.3 1,-0.2 26,-0.1 -0.891 27.5 167.7-119.1 98.0 42.7 28.2 115.4 32 32 A V - 0 0 17 -2,-0.6 53,-0.4 24,-0.4 2,-0.2 0.971 46.2 -96.1 -74.4 -59.4 43.8 26.2 112.4 33 33 A G - 0 0 20 23,-0.3 2,-0.3 51,-0.1 51,-0.2 -0.800 30.9-135.0 152.7 165.7 47.6 26.8 112.2 34 34 A E E +A 83 0A 52 49,-1.9 49,-2.9 -2,-0.2 2,-0.3 -0.997 41.6 58.9-152.7 155.5 50.1 29.0 110.5 35 35 A G E S-A 82 0A 39 -2,-0.3 2,-0.6 47,-0.2 47,-0.3 -0.875 80.4 -9.1 134.6-163.5 53.5 29.0 108.7 36 36 A N > - 0 0 57 45,-2.2 3,-1.8 42,-0.4 -2,-0.1 -0.662 44.2-156.1 -81.1 113.7 55.4 27.6 105.8 37 37 A L T 3 S+ 0 0 23 -2,-0.6 -1,-0.1 1,-0.3 45,-0.1 0.416 94.8 52.8 -69.3 1.7 53.5 24.8 104.0 38 38 A D T 3 S+ 0 0 93 42,-0.1 -1,-0.3 43,-0.1 -2,-0.0 0.132 78.0 129.4-122.9 17.3 56.8 23.5 102.8 39 39 A T < - 0 0 7 -3,-1.8 42,-0.1 1,-0.1 3,-0.1 -0.324 54.8-144.1 -69.4 157.8 58.7 23.2 106.1 40 40 A R S S+ 0 0 113 78,-0.2 79,-1.8 1,-0.2 80,-1.8 0.462 85.4 56.5 -98.5 -5.1 60.4 20.0 106.9 41 41 A I E -b 120 0A 6 77,-0.2 41,-1.2 78,-0.2 2,-0.4 -0.982 64.4-167.5-136.0 128.5 59.4 20.4 110.5 42 42 A V E -bc 121 82A 2 78,-1.8 80,-2.9 -2,-0.4 2,-0.5 -0.898 9.6-150.3-115.7 140.8 56.1 20.9 112.2 43 43 A F E -bc 122 83A 0 39,-2.6 41,-2.5 -2,-0.4 2,-0.4 -0.922 15.7-170.5-110.8 130.2 55.4 21.9 115.8 44 44 A V E +bc 123 84A 0 78,-2.4 80,-2.7 -2,-0.5 41,-0.3 -0.980 6.8 174.5-125.4 131.5 52.2 20.7 117.4 45 45 A G E - c 0 85A 0 39,-2.4 41,-1.2 -2,-0.4 80,-0.1 -0.142 41.1 -93.8-111.4-151.7 50.7 21.7 120.7 46 46 A E S S- 0 0 57 1,-0.3 41,-2.2 39,-0.2 40,-0.2 0.907 73.6 -67.6 -94.4 -62.1 47.5 21.0 122.7 47 47 A G - 0 0 21 39,-0.2 -1,-0.3 38,-0.2 41,-0.1 -0.982 63.2 -37.0-176.7-177.7 45.0 23.7 121.8 48 48 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 46,-0.1 -0.282 40.7-168.5 -63.9 138.9 43.9 27.4 121.9 49 49 A G > - 0 0 18 41,-0.1 4,-1.7 -2,-0.0 5,-0.1 -0.231 49.9 -73.5-105.9-160.3 44.4 29.6 124.9 50 50 A E H > S+ 0 0 118 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.920 129.7 43.2 -69.5 -44.2 42.8 33.1 125.3 51 51 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 6,-0.4 0.888 113.3 51.9 -68.5 -39.7 45.0 35.0 122.8 52 52 A E H >>S+ 0 0 15 1,-0.2 4,-2.7 2,-0.2 5,-0.8 0.944 109.7 50.6 -60.0 -47.4 44.8 32.3 120.2 53 53 A D H <5S+ 0 0 14 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.828 113.0 45.9 -59.3 -35.9 41.1 32.2 120.5 54 54 A K H <5S+ 0 0 170 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.853 123.3 32.8 -77.3 -37.5 40.8 36.0 120.1 55 55 A T H <5S- 0 0 73 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.583 97.8-129.5 -95.1 -14.4 43.2 36.3 117.1 56 56 A G T <5S+ 0 0 25 -4,-2.7 -24,-0.4 1,-0.3 -23,-0.3 0.707 73.2 117.3 70.2 17.5 42.4 32.9 115.5 57 57 A R < - 0 0 123 -5,-0.8 3,-0.4 -6,-0.4 -1,-0.3 -0.871 66.2-111.7-119.3 152.8 46.1 32.4 115.5 58 58 A P S S- 0 0 2 0, 0.0 25,-0.0 0, 0.0 -26,-0.0 -0.593 85.8 -0.2 -85.8 143.3 48.4 29.7 117.2 59 59 A F S S+ 0 0 8 -2,-0.3 9,-0.1 1,-0.1 8,-0.0 0.910 78.9 131.9 50.7 55.3 50.8 30.4 120.0 60 60 A V + 0 0 35 -3,-0.4 -1,-0.1 4,-0.1 5,-0.0 0.522 51.6 83.8-108.5 -10.0 50.3 34.1 120.3 61 61 A G S > S- 0 0 5 1,-0.0 4,-3.4 3,-0.0 5,-0.2 0.054 106.1 -75.2 -78.6-167.7 50.0 34.1 124.1 62 62 A R H > S+ 0 0 176 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.899 135.1 48.7 -58.6 -42.4 52.8 34.1 126.7 63 63 A A H > S+ 0 0 19 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 112.3 49.5 -64.3 -43.7 53.5 30.4 126.0 64 64 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.940 107.5 53.1 -60.4 -48.5 53.6 31.2 122.3 65 65 A M H X S+ 0 0 97 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.893 110.6 49.0 -54.1 -39.5 55.9 34.2 122.8 66 66 A L H X S+ 0 0 25 -4,-2.0 4,-2.2 -5,-0.2 3,-0.3 0.924 107.3 53.8 -66.7 -43.3 58.2 31.8 124.7 67 67 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.865 102.9 58.5 -58.5 -36.5 58.1 29.2 121.9 68 68 A T H X S+ 0 0 37 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.909 107.4 47.1 -59.1 -42.8 59.2 31.9 119.5 69 69 A E H X S+ 0 0 64 -4,-1.4 4,-2.4 -3,-0.3 -2,-0.2 0.890 108.4 52.9 -67.6 -40.9 62.3 32.4 121.5 70 70 A L H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.893 111.4 48.4 -61.5 -37.4 63.1 28.7 121.8 71 71 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.9 1,-0.2 3,-1.7 0.921 110.4 50.1 -67.4 -43.1 62.8 28.6 118.0 72 72 A R H ><5S+ 0 0 152 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.847 109.0 52.6 -63.2 -33.8 65.0 31.6 117.7 73 73 A E T 3<5S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.356 106.9 53.8 -84.2 6.1 67.5 29.9 120.0 74 74 A S T < 5S- 0 0 11 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.020 123.5-103.3-123.7 21.6 67.4 26.9 117.8 75 75 A G T < 5S+ 0 0 67 -3,-1.1 2,-0.4 1,-0.2 -3,-0.2 0.817 80.8 133.1 60.0 34.9 68.3 28.9 114.7 76 76 A I < - 0 0 21 -5,-2.9 2,-0.4 -8,-0.1 -2,-0.2 -0.958 47.6-148.3-124.6 134.4 64.7 28.7 113.5 77 77 A R >> - 0 0 156 -2,-0.4 3,-1.5 1,-0.1 4,-0.6 -0.798 18.7-134.0 -95.3 138.2 62.4 31.5 112.2 78 78 A R G >4 S+ 0 0 51 -2,-0.4 3,-1.8 1,-0.3 -42,-0.4 0.937 106.6 58.1 -52.4 -52.0 58.6 31.2 112.9 79 79 A E G 34 S+ 0 0 56 1,-0.3 -1,-0.3 -44,-0.1 -44,-0.0 0.638 101.1 59.4 -54.1 -18.7 57.8 32.1 109.3 80 80 A D G <4 S+ 0 0 75 -3,-1.5 -1,-0.3 -45,-0.1 -2,-0.2 0.635 105.6 41.8 -89.9 -16.4 59.9 29.1 108.2 81 81 A V S << S- 0 0 6 -3,-1.8 -45,-2.2 -4,-0.6 2,-0.4 -0.529 82.5-106.3-119.1-173.6 58.0 26.2 109.9 82 82 A Y E -Ac 35 42A 6 -41,-1.2 -39,-2.6 -47,-0.3 2,-0.4 -0.973 25.9-161.3-122.6 137.4 54.4 25.3 110.6 83 83 A I E +Ac 34 43A 2 -49,-2.9 -49,-1.9 -2,-0.4 2,-0.2 -0.955 23.8 135.0-123.2 129.0 52.6 25.6 113.9 84 84 A C E - c 0 44A 2 -41,-2.5 -39,-2.4 -2,-0.4 2,-0.3 -0.857 33.1-126.2-152.8-175.3 49.4 23.9 115.0 85 85 A N E - c 0 45A 5 -53,-0.4 -39,-0.2 -41,-0.3 -38,-0.2 -0.871 28.6-110.7-137.6 168.6 47.6 22.0 117.8 86 86 A V S S+ 0 0 2 -41,-1.2 2,-0.4 -2,-0.3 23,-0.3 0.884 106.1 36.3 -69.4 -38.1 45.6 18.8 118.5 87 87 A V - 0 0 2 -41,-2.2 -1,-0.1 1,-0.1 -42,-0.1 -0.906 64.5-156.7-117.7 147.5 42.3 20.6 118.9 88 88 A K S S+ 0 0 1 -2,-0.4 -57,-2.2 -41,-0.1 2,-0.3 0.669 71.9 69.0 -94.4 -18.3 41.2 23.7 117.1 89 89 A C S S- 0 0 16 -59,-0.2 -59,-0.1 -62,-0.1 -65,-0.1 -0.813 81.7-117.0-107.7 143.2 38.7 25.2 119.6 90 90 A R - 0 0 32 -2,-0.3 -63,-0.2 -61,-0.3 -41,-0.1 -0.594 29.5-131.8 -78.4 128.2 39.4 26.7 123.0 91 91 A P > - 0 0 4 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.414 38.0 -83.1 -75.8 155.7 37.9 24.8 125.9 92 92 A P G > S+ 0 0 45 0, 0.0 3,-2.1 0, 0.0 -65,-0.0 -0.330 114.9 0.9 -58.5 136.4 35.9 26.7 128.6 93 93 A N G 3 S- 0 0 147 1,-0.3 3,-0.1 -3,-0.1 -43,-0.0 0.786 121.3 -80.1 53.6 29.5 38.3 28.3 131.2 94 94 A N G < S+ 0 0 63 -3,-1.8 -1,-0.3 1,-0.1 -47,-0.0 0.713 79.6 169.2 52.3 23.9 41.2 26.8 129.2 95 95 A R < - 0 0 93 -3,-2.1 -1,-0.1 1,-0.1 3,-0.1 -0.205 47.2 -84.9 -60.2 159.1 40.5 23.4 130.8 96 96 A T - 0 0 94 1,-0.1 -1,-0.1 -3,-0.1 2,-0.1 -0.413 51.2-104.7 -66.4 141.8 42.4 20.6 129.3 97 97 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -7,-0.0 -0.433 36.8-113.5 -67.4 141.5 40.7 19.1 126.3 98 98 A T > - 0 0 37 1,-0.1 4,-2.9 -2,-0.1 5,-0.2 -0.444 20.9-117.5 -74.6 150.6 39.0 15.7 127.0 99 99 A P H > S+ 0 0 68 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.854 118.9 55.6 -55.2 -33.3 40.4 12.7 125.2 100 100 A E H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.955 108.9 44.7 -64.0 -49.2 37.0 12.4 123.5 101 101 A E H > S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.883 113.2 53.6 -60.3 -38.1 37.3 16.0 122.2 102 102 A Q H X S+ 0 0 27 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.917 108.1 48.7 -62.8 -44.4 40.9 15.1 121.3 103 103 A A H < S+ 0 0 81 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.884 108.7 53.8 -64.2 -40.0 39.8 12.1 119.3 104 104 A A H < S+ 0 0 32 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.830 113.2 39.9 -65.6 -35.4 37.1 14.0 117.4 105 105 A C H >X S+ 0 0 15 -4,-1.5 3,-2.7 1,-0.2 4,-0.6 0.773 89.3 91.1 -87.5 -28.6 39.4 16.7 116.1 106 106 A G H 3X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.3 3,-0.2 0.733 71.7 70.5 -37.3 -40.8 42.5 14.7 115.3 107 107 A H H 3> S+ 0 0 98 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.3 0.812 96.1 55.7 -54.2 -28.5 41.4 14.0 111.7 108 108 A F H <> S+ 0 0 13 -3,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.954 106.2 48.0 -68.5 -49.3 42.1 17.7 110.9 109 109 A L H X S+ 0 0 0 -4,-0.6 4,-3.0 -23,-0.3 5,-0.3 0.953 109.3 55.5 -54.2 -50.4 45.7 17.5 112.2 110 110 A L H X S+ 0 0 78 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 108.1 47.5 -48.9 -50.0 46.2 14.3 110.1 111 111 A A H X S+ 0 0 35 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.943 111.3 50.9 -59.5 -46.9 45.1 16.2 107.0 112 112 A Q H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.931 112.7 45.2 -55.7 -48.5 47.4 19.1 107.8 113 113 A I H X S+ 0 0 7 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.888 112.0 54.6 -62.0 -37.3 50.4 16.8 108.3 114 114 A E H < S+ 0 0 147 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.908 109.9 45.6 -61.9 -44.0 49.3 15.0 105.1 115 115 A I H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 119.8 39.4 -69.5 -37.5 49.4 18.2 103.1 116 116 A I H < S- 0 0 3 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.802 84.3-163.1 -84.6 -30.7 52.7 19.4 104.5 117 117 A N < - 0 0 77 -4,-2.9 -3,-0.1 -5,-0.3 -4,-0.1 0.932 19.1-173.2 44.3 66.4 54.4 16.0 104.5 118 118 A P - 0 0 1 0, 0.0 -77,-0.2 0, 0.0 -78,-0.2 -0.305 32.6-129.6 -83.4 168.7 57.3 16.9 106.9 119 119 A D S S+ 0 0 19 -79,-1.8 36,-1.9 1,-0.3 2,-0.3 0.772 89.1 14.9 -88.4 -29.9 60.3 14.8 107.8 120 120 A V E -bd 41 155A 0 -80,-1.8 -78,-1.8 34,-0.2 2,-0.4 -0.997 61.4-154.8-147.7 149.4 59.9 15.3 111.6 121 121 A I E -bd 42 156A 0 34,-3.0 36,-2.9 -2,-0.3 2,-0.6 -0.980 10.7-145.9-127.2 138.5 57.3 16.5 114.1 122 122 A V E -bd 43 157A 2 -80,-2.9 -78,-2.4 -2,-0.4 2,-0.8 -0.906 10.8-152.0-105.2 120.3 57.8 18.0 117.5 123 123 A A E -bd 44 158A 0 34,-1.9 36,-2.8 -2,-0.6 2,-1.0 -0.818 6.8-162.4 -94.6 109.6 55.2 17.2 120.1 124 124 A L E - d 0 159A 4 -80,-2.7 4,-0.4 -2,-0.8 36,-0.2 -0.792 59.7 -4.6 -93.3 99.6 54.9 19.9 122.7 125 125 A G S > S- 0 0 8 34,-2.5 4,-1.5 -2,-1.0 34,-0.1 -0.171 89.1 -73.2 106.1 161.4 53.1 18.5 125.7 126 126 A A H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.840 126.1 53.6 -62.5 -38.6 51.4 15.3 126.7 127 127 A T H > S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 108.3 48.9 -63.1 -49.7 48.3 15.9 124.6 128 128 A A H > S+ 0 0 0 -4,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.858 111.9 54.2 -56.8 -32.2 50.5 16.3 121.5 129 129 A L H >< S+ 0 0 3 -4,-1.5 3,-1.2 1,-0.2 -2,-0.2 0.966 101.7 54.0 -66.1 -55.4 52.1 13.1 122.7 130 130 A S H ><>S+ 0 0 18 -4,-2.8 3,-2.1 1,-0.3 5,-1.9 0.865 101.3 61.6 -46.9 -44.9 48.9 11.0 123.0 131 131 A F H ><5S+ 0 0 38 -4,-1.8 3,-0.8 1,-0.3 -1,-0.3 0.881 105.2 46.6 -53.1 -40.8 48.0 11.8 119.4 132 132 A F T <<5S+ 0 0 5 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.276 113.6 46.8 -89.4 12.8 51.2 10.2 118.2 133 133 A V T X 5S- 0 0 24 -3,-2.1 3,-0.7 -4,-0.2 -1,-0.2 0.098 124.6 -94.3-133.2 16.8 50.8 7.0 120.3 134 134 A D T < 5S- 0 0 142 -3,-0.8 2,-0.9 -4,-0.3 -3,-0.2 0.972 74.6 -58.8 67.5 58.4 47.1 6.4 119.4 135 135 A G T 3 > - 0 0 50 -2,-0.3 4,-2.1 1,-0.2 3,-0.6 -0.665 15.9-153.7 -80.5 117.7 54.3 10.1 130.8 140 140 A I H 3> S+ 0 0 27 -2,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.885 96.1 56.7 -54.1 -40.4 55.8 13.1 129.0 141 141 A T H 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 19,-0.1 0.839 108.6 44.9 -61.7 -37.6 58.5 13.2 131.6 142 142 A K H <4 S+ 0 0 164 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.2 0.898 122.4 33.4 -75.3 -42.5 59.6 9.6 130.9 143 143 A V H >< S+ 0 0 36 -4,-2.1 3,-2.4 2,-0.1 -2,-0.2 0.636 80.2 124.2 -92.1 -16.5 59.6 9.7 127.1 144 144 A R T 3< S+ 0 0 53 -4,-2.3 15,-0.2 -5,-0.3 13,-0.0 -0.171 77.2 25.9 -50.0 132.0 60.6 13.3 126.2 145 145 A G T 3 S+ 0 0 4 13,-2.4 -1,-0.3 1,-0.2 14,-0.1 0.118 92.0 114.5 102.1 -20.9 63.7 13.2 124.0 146 146 A N < - 0 0 87 -3,-2.4 -1,-0.2 12,-0.1 10,-0.1 -0.767 66.3-125.0 -92.7 120.0 63.1 9.8 122.4 147 147 A P - 0 0 48 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.267 22.4-152.0 -59.0 138.6 62.3 9.7 118.7 148 148 A I E -E 156 0A 36 8,-2.1 8,-2.2 0, 0.0 2,-0.8 -0.954 12.8-129.5-117.9 134.0 59.1 7.9 117.8 149 149 A D E +E 155 0A 121 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.745 40.1 169.5 -83.7 113.8 58.6 6.1 114.4 150 150 A W > - 0 0 43 4,-2.8 3,-0.9 -2,-0.8 4,-0.1 -0.326 41.4 -38.2-109.9-165.9 55.4 7.4 113.1 151 151 A L G > S+ 0 0 113 1,-0.2 3,-2.6 2,-0.2 -1,-0.3 -0.114 122.1 10.7 -55.9 152.0 53.7 7.0 109.7 152 152 A G G 3 S- 0 0 72 1,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.779 128.2 -67.9 49.1 33.8 55.7 7.2 106.5 153 153 A G G < S+ 0 0 55 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.528 92.4 152.0 67.8 4.1 59.0 7.0 108.4 154 154 A K < - 0 0 32 -3,-2.6 -4,-2.8 -4,-0.1 2,-0.4 -0.373 38.8-133.9 -66.1 146.1 58.3 10.4 109.8 155 155 A K E -dE 120 149A 49 -36,-1.9 -34,-3.0 -6,-0.2 2,-0.5 -0.868 12.5-157.9-108.3 139.6 60.0 11.0 113.2 156 156 A V E -dE 121 148A 1 -8,-2.2 -8,-2.1 -2,-0.4 -34,-0.2 -0.949 1.3-164.2-115.7 128.6 58.3 12.5 116.2 157 157 A I E -d 122 0A 0 -36,-2.9 -34,-1.9 -2,-0.5 2,-0.3 -0.944 12.4-153.6-113.3 112.1 60.3 14.1 119.0 158 158 A P E +d 123 0A 1 0, 0.0 -13,-2.4 0, 0.0 2,-0.3 -0.645 25.9 153.3 -86.0 142.0 58.3 14.6 122.2 159 159 A T E -d 124 0A 0 -36,-2.8 -34,-2.5 -2,-0.3 -30,-0.1 -0.896 45.7 -62.6-151.8-179.8 59.2 17.4 124.6 160 160 A F - 0 0 24 -2,-0.3 5,-0.0 -36,-0.2 -19,-0.0 -0.343 51.3-108.9 -72.6 153.1 57.7 19.7 127.2 161 161 A H >> - 0 0 40 -37,-0.2 3,-2.1 1,-0.1 4,-0.8 -0.535 25.5-119.8 -78.4 144.7 55.1 22.3 126.3 162 162 A P H >> S+ 0 0 2 0, 0.0 4,-1.2 0, 0.0 3,-0.7 0.870 111.7 70.8 -51.3 -37.9 56.2 25.9 126.5 163 163 A S H 3> S+ 0 0 44 1,-0.3 4,-1.3 2,-0.2 3,-0.1 0.801 93.2 56.5 -48.9 -33.5 53.6 26.4 129.1 164 164 A Y H <> S+ 0 0 98 -3,-2.1 4,-3.1 1,-0.2 -1,-0.3 0.899 103.6 50.5 -68.9 -42.3 55.8 24.4 131.5 165 165 A L H << S+ 0 0 11 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.662 103.4 61.3 -71.3 -15.2 58.9 26.6 131.1 166 166 A L H < S+ 0 0 42 -4,-1.2 -1,-0.2 -3,-0.1 -2,-0.2 0.922 113.0 37.0 -72.6 -42.1 56.6 29.5 131.8 167 167 A R H < S+ 0 0 175 -4,-1.3 2,-0.7 1,-0.2 -2,-0.2 0.942 123.8 38.7 -72.7 -54.3 56.0 27.9 135.2 168 168 A N < - 0 0 71 -4,-3.1 -1,-0.2 1,-0.1 0, 0.0 -0.893 68.2-175.7-102.3 110.8 59.4 26.5 136.0 169 169 A R + 0 0 216 -2,-0.7 -1,-0.1 -3,-0.1 -4,-0.1 0.245 30.7 137.2 -93.5 16.3 62.0 28.9 134.8 170 170 A S > - 0 0 50 1,-0.1 4,-1.3 3,-0.0 5,-0.1 -0.277 55.8-133.8 -62.7 146.2 65.2 26.9 135.5 171 171 A N H > S+ 0 0 135 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.797 103.9 62.1 -70.2 -30.9 67.9 27.0 132.8 172 172 A E H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 104.2 49.9 -59.8 -43.3 68.4 23.2 133.0 173 173 A L H > S+ 0 0 12 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 110.8 47.7 -63.3 -41.8 64.8 22.8 131.8 174 174 A R H X S+ 0 0 66 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.884 109.5 54.7 -68.1 -37.8 65.2 25.2 128.9 175 175 A R H X S+ 0 0 118 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.876 105.3 52.9 -63.6 -39.4 68.4 23.5 127.9 176 176 A I H X S+ 0 0 29 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.930 109.9 47.6 -62.2 -46.3 66.6 20.1 127.7 177 177 A V H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.954 112.3 48.4 -60.5 -51.2 63.9 21.5 125.5 178 178 A L H X S+ 0 0 39 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.897 109.3 54.4 -56.0 -39.8 66.4 23.1 123.2 179 179 A E H X S+ 0 0 92 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 108.6 49.0 -60.5 -41.8 68.4 19.9 123.1 180 180 A D H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.871 110.0 51.0 -65.9 -37.8 65.2 18.1 122.0 181 181 A I H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.914 108.3 51.1 -67.4 -41.0 64.6 20.7 119.3 182 182 A E H X S+ 0 0 106 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.925 106.9 56.8 -59.6 -42.4 68.1 20.2 118.0 183 183 A K H >< S+ 0 0 76 -4,-2.0 3,-0.5 1,-0.2 4,-0.4 0.928 105.6 48.7 -53.4 -50.7 67.4 16.5 118.0 184 184 A A H >< S+ 0 0 0 -4,-2.0 3,-2.1 1,-0.2 4,-0.4 0.912 106.2 57.0 -58.4 -44.1 64.4 17.0 115.7 185 185 A K H >< S+ 0 0 64 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.849 97.1 63.9 -56.0 -34.1 66.4 19.2 113.3 186 186 A S T << S+ 0 0 75 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.667 99.3 55.1 -65.9 -15.5 68.8 16.3 112.9 187 187 A F T < S+ 0 0 61 -3,-2.1 -1,-0.3 -4,-0.4 2,-0.3 0.504 76.9 108.5 -96.0 -5.8 66.0 14.3 111.4 188 188 A I S < S- 0 0 57 -3,-1.7 2,-0.4 -4,-0.4 -147,-0.1 -0.570 85.4-107.0 -67.4 132.4 65.3 16.9 108.7 189 189 A K - 0 0 142 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.525 35.8 -99.9 -73.8 122.5 66.5 15.1 105.6 190 190 A K 0 0 171 -2,-0.4 -1,-0.1 1,-0.3 -4,-0.0 -0.122 360.0 360.0 -40.5 106.9 69.7 16.6 104.2 191 191 A E 0 0 208 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.654 360.0 360.0 39.1 360.0 68.6 18.9 101.3