==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 07-MAY-07 2Z0Z . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN TTHA1799; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR K.MURAYAMA,M.KATO-MURAYAMA,T.TERADA,S.KURAMITSU,M.SHIROUZU, . 194 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 22.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 2 1.0 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 . 13 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 0 1 0 0 0 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 0 1 0 1 0 1 3 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 1 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 0 210 0, 0.0 2,-0.4 0, 0.0 83,-0.0 0.000 360.0 360.0 360.0 164.6 -35.2 8.5 28.4 2 2 A W - 0 0 37 81,-0.0 2,-0.7 1,-0.0 119,-0.0 -0.701 360.0-148.3 -84.2 136.9 -32.9 11.6 28.5 3 3 A A - 0 0 87 -2,-0.4 -1,-0.0 0, 0.0 0, 0.0 -0.913 17.7-165.9-108.1 109.1 -34.8 14.9 28.2 4 4 A F - 0 0 37 -2,-0.7 2,-0.2 1,-0.1 3,-0.0 -0.415 26.6 -99.7 -87.0 164.5 -32.6 17.4 26.4 5 5 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.579 18.8-137.1 -83.5 150.8 -33.3 21.2 26.3 6 6 A E S S+ 0 0 125 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.869 87.4 36.2 -72.0 -33.8 -34.9 22.6 23.2 7 7 A R - 0 0 148 9,-0.2 2,-0.3 59,-0.1 9,-0.2 -0.916 58.1-177.2-127.9 149.3 -32.4 25.5 23.2 8 8 A F E -A 15 0A 23 7,-1.5 7,-2.6 -2,-0.3 2,-0.4 -0.954 11.8-155.5-133.8 152.2 -28.8 26.2 24.1 9 9 A E E +A 14 0A 144 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.994 17.2 167.3-135.1 127.7 -27.0 29.6 24.0 10 10 A G - 0 0 17 3,-2.7 99,-0.0 -2,-0.4 98,-0.0 -0.455 50.1 -96.3-119.3-164.0 -23.3 30.0 23.7 11 11 A R S S+ 0 0 174 -2,-0.2 3,-0.1 1,-0.0 177,-0.0 0.741 120.5 24.2 -90.0 -24.8 -21.2 33.1 22.9 12 12 A H S S+ 0 0 34 1,-0.2 59,-0.3 92,-0.1 2,-0.3 0.776 128.7 18.7-106.0 -41.6 -21.0 32.5 19.2 13 13 A V - 0 0 3 57,-0.2 -3,-2.7 91,-0.1 2,-0.3 -0.785 56.2-148.3-128.2 170.4 -24.0 30.3 18.4 14 14 A R E -AB 9 69A 86 55,-1.9 55,-3.3 -2,-0.3 2,-0.4 -0.954 16.2-142.2-133.8 154.1 -27.4 29.3 19.7 15 15 A L E +AB 8 68A 2 -7,-2.6 -7,-1.5 -2,-0.3 53,-0.2 -0.928 21.1 169.1-120.4 143.2 -29.2 26.0 19.2 16 16 A E E - B 0 67A 56 51,-1.5 51,-3.1 -2,-0.4 -9,-0.2 -0.959 50.5 -70.7-145.3 157.8 -32.9 25.4 18.7 17 17 A P E - B 0 66A 45 0, 0.0 49,-0.3 0, 0.0 2,-0.1 -0.287 52.9-117.8 -54.8 128.3 -34.8 22.2 17.6 18 18 A L + 0 0 12 47,-2.1 2,-0.3 60,-0.2 47,-0.2 -0.443 48.2 164.4 -65.3 137.8 -34.2 21.4 14.0 19 19 A A > - 0 0 39 -2,-0.1 3,-2.5 -3,-0.1 4,-0.3 -0.943 56.1 -92.8-150.7 170.8 -37.5 21.6 12.0 20 20 A L G > S+ 0 0 88 1,-0.3 3,-2.1 -2,-0.3 35,-0.1 0.804 117.0 72.8 -56.9 -26.7 -39.0 21.7 8.5 21 21 A A G 3 S+ 0 0 91 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.648 91.3 58.1 -61.4 -16.1 -38.9 25.5 9.0 22 22 A H G X> S+ 0 0 15 -3,-2.5 3,-1.2 1,-0.2 4,-1.1 0.505 75.9 97.0 -91.3 -7.2 -35.2 25.3 8.6 23 23 A L H X> S+ 0 0 6 -3,-2.1 4,-2.1 -4,-0.3 3,-0.7 0.894 73.7 63.4 -50.8 -43.5 -35.4 23.8 5.1 24 24 A P H 3> S+ 0 0 57 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.867 99.3 54.9 -51.4 -35.9 -34.9 27.1 3.4 25 25 A A H <> S+ 0 0 2 -3,-1.2 4,-1.0 1,-0.2 -2,-0.2 0.896 107.8 48.6 -64.4 -39.8 -31.5 27.5 4.9 26 26 A F H << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.7 3,-0.1 0.851 111.9 50.3 -66.3 -36.0 -30.5 24.1 3.4 27 27 A L H < S+ 0 0 57 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.789 108.5 52.1 -71.9 -29.5 -31.9 25.2 0.1 28 28 A R H < S+ 0 0 170 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.688 116.0 40.1 -80.1 -18.8 -29.9 28.5 0.2 29 29 A H S < S+ 0 0 49 -4,-1.0 2,-0.5 -5,-0.2 69,-0.3 -0.415 71.8 158.0-130.2 60.1 -26.6 26.7 0.9 30 30 A Y + 0 0 71 -3,-0.5 -3,-0.1 67,-0.1 3,-0.1 -0.747 3.7 152.9 -89.6 128.0 -26.3 23.6 -1.2 31 31 A D >> - 0 0 46 -2,-0.5 3,-1.5 1,-0.1 4,-0.6 -0.938 40.0-141.9-149.7 119.6 -22.8 22.3 -1.8 32 32 A P H >> S+ 0 0 81 0, 0.0 4,-1.5 0, 0.0 3,-0.7 0.789 99.4 66.4 -56.0 -26.5 -22.2 18.6 -2.5 33 33 A E H 34 S+ 0 0 97 1,-0.2 4,-0.4 2,-0.2 -3,-0.0 0.822 93.4 60.1 -64.6 -30.1 -18.9 18.7 -0.4 34 34 A V H <4 S+ 0 0 11 -3,-1.5 -1,-0.2 1,-0.2 3,-0.1 0.800 117.5 29.9 -67.8 -28.7 -21.0 19.4 2.7 35 35 A Y H X< S+ 0 0 2 -3,-0.7 3,-2.1 -4,-0.6 -2,-0.2 0.510 89.1 101.1-107.8 -8.4 -22.8 16.1 2.3 36 36 A R T 3< S+ 0 0 139 -4,-1.5 -2,-0.1 1,-0.3 -1,-0.1 0.763 91.4 36.1 -54.2 -29.6 -20.2 13.9 0.6 37 37 A F T 3 S+ 0 0 39 -4,-0.4 94,-0.5 -3,-0.1 -1,-0.3 0.207 100.3 96.5-109.8 16.8 -19.2 12.1 3.8 38 38 A L S X S- 0 0 39 -3,-2.1 3,-0.6 92,-0.1 2,-0.2 -0.612 78.8-104.8-100.6 162.4 -22.6 11.9 5.5 39 39 A S T 3 S+ 0 0 63 1,-0.2 -2,-0.1 -2,-0.2 119,-0.1 -0.578 101.7 11.8 -82.5 150.8 -25.1 9.1 5.4 40 40 A R T 3 S- 0 0 159 -2,-0.2 -1,-0.2 1,-0.1 3,-0.1 0.866 86.1-169.6 49.7 46.5 -28.2 9.5 3.2 41 41 A A < - 0 0 36 -3,-0.6 -1,-0.1 -6,-0.2 -5,-0.0 -0.250 39.4 -81.9 -61.6 150.3 -26.7 12.6 1.4 42 42 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 -0.341 39.2-142.1 -54.3 136.4 -29.2 14.5 -0.8 43 43 A V S S+ 0 0 130 6,-0.1 -2,-0.1 -3,-0.1 7,-0.0 0.592 76.8 14.0 -80.8 -9.1 -29.3 12.5 -4.1 44 44 A A S S- 0 0 30 2,-0.2 2,-2.2 3,-0.0 -1,-0.1 -0.985 84.4 -99.0-159.6 158.3 -29.5 15.6 -6.2 45 45 A P S S+ 0 0 100 0, 0.0 2,-0.3 0, 0.0 -15,-0.1 -0.305 86.2 111.4 -79.1 57.6 -29.1 19.4 -6.0 46 46 A T S > S- 0 0 54 -2,-2.2 4,-2.0 1,-0.1 5,-0.2 -0.894 79.8-118.4-131.8 159.4 -32.9 19.9 -5.7 47 47 A E H > S+ 0 0 94 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.887 114.5 56.9 -61.6 -39.0 -35.4 21.0 -3.1 48 48 A E H > S+ 0 0 146 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 109.3 44.0 -59.3 -42.3 -37.0 17.5 -3.2 49 49 A A H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.849 114.7 48.8 -72.4 -37.1 -33.7 15.7 -2.3 50 50 A L H X S+ 0 0 4 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.870 110.4 51.2 -71.9 -35.9 -32.9 18.2 0.4 51 51 A R H X S+ 0 0 94 -4,-2.6 4,-2.9 -5,-0.2 5,-0.2 0.938 110.2 49.6 -65.6 -43.9 -36.4 17.9 1.9 52 52 A A H X S+ 0 0 54 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.933 111.1 50.4 -59.9 -43.0 -36.0 14.1 1.9 53 53 A H H X S+ 0 0 11 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.951 112.5 45.2 -60.0 -49.6 -32.6 14.5 3.6 54 54 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.923 111.3 52.5 -62.3 -44.0 -34.0 16.8 6.3 55 55 A E H X S+ 0 0 100 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.884 107.9 53.8 -58.9 -36.2 -37.1 14.6 6.9 56 56 A G H X S+ 0 0 14 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.2 0.867 106.5 50.8 -64.9 -39.5 -34.6 11.7 7.3 57 57 A L H < S+ 0 0 8 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.947 115.2 42.5 -62.7 -47.8 -32.7 13.5 10.0 58 58 A L H < S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.794 117.2 48.0 -70.4 -28.2 -35.9 14.3 12.0 59 59 A G H < S+ 0 0 55 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.604 75.1 114.7 -91.6 -13.4 -37.3 10.8 11.5 60 60 A E S >< S- 0 0 52 -4,-1.3 3,-1.6 -3,-0.4 -4,-0.0 -0.387 82.4 -97.9 -59.6 129.7 -34.4 8.5 12.4 61 61 A P T 3 S- 0 0 119 0, 0.0 21,-0.4 0, 0.0 -1,-0.1 -0.252 102.3 -0.6 -52.4 129.0 -35.5 6.6 15.6 62 62 A G T 3 S+ 0 0 51 1,-0.2 2,-0.1 20,-0.1 -2,-0.1 0.170 93.8 139.6 78.8 -17.8 -34.1 8.2 18.7 63 63 A R < - 0 0 28 -3,-1.6 2,-0.5 19,-0.1 -1,-0.2 -0.370 34.2-164.7 -66.5 134.1 -32.3 11.0 16.9 64 64 A V E - C 0 80A 44 16,-2.5 16,-2.9 -2,-0.1 2,-0.4 -0.978 12.8-172.9-121.0 118.2 -32.4 14.5 18.5 65 65 A N E - C 0 79A 14 -2,-0.5 -47,-2.1 14,-0.2 2,-0.4 -0.902 12.5-169.5-120.4 145.9 -31.4 17.4 16.2 66 66 A W E -BC 17 78A 5 12,-2.4 12,-2.1 -2,-0.4 2,-0.3 -0.961 23.6-128.1-126.9 142.0 -30.8 21.1 16.7 67 67 A A E -BC 16 77A 0 -51,-3.1 -51,-1.5 -2,-0.4 2,-0.6 -0.693 27.0-132.7 -82.7 145.0 -30.3 23.8 14.0 68 68 A I E -BC 15 76A 0 8,-3.1 7,-3.0 -2,-0.3 8,-1.1 -0.911 19.6-157.8-101.6 123.8 -27.1 25.8 14.8 69 69 A L E -BC 14 74A 12 -55,-3.3 -55,-1.9 -2,-0.6 2,-0.7 -0.918 11.9-174.5-108.0 124.5 -27.8 29.6 14.6 70 70 A F - 0 0 58 3,-2.8 2,-0.5 -2,-0.5 3,-0.5 -0.848 68.5 -51.1-118.6 88.2 -24.8 31.9 14.0 71 71 A G S S- 0 0 42 -2,-0.7 4,-0.1 -59,-0.3 -57,-0.1 -0.710 121.6 -18.7 85.3-125.5 -26.2 35.3 14.2 72 72 A K S S+ 0 0 215 -2,-0.5 2,-0.3 -3,-0.1 -1,-0.2 0.014 125.0 82.3-104.8 25.5 -29.3 35.7 12.0 73 73 A E S S- 0 0 101 -3,-0.5 -3,-2.8 -48,-0.0 2,-0.7 -0.962 79.4-121.0-133.1 149.8 -28.3 32.7 9.9 74 74 A V E -C 69 0A 19 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.1 -0.788 26.9-174.6 -86.2 117.7 -28.7 28.9 10.2 75 75 A A E - 0 0 0 -7,-3.0 22,-3.1 -2,-0.7 2,-0.3 0.713 51.7 -78.4 -86.9 -23.4 -25.1 27.6 10.1 76 76 A G E -CD 68 96A 0 -8,-1.1 -8,-3.1 20,-0.3 2,-0.3 -0.975 54.9 -74.6 157.6-148.5 -26.0 23.9 10.0 77 77 A R E -CD 67 95A 10 18,-2.8 18,-2.5 -2,-0.3 2,-0.4 -0.953 18.7-150.1-145.6 160.1 -27.1 21.3 12.5 78 78 A I E -CD 66 94A 0 -12,-2.1 -12,-2.4 -2,-0.3 2,-0.4 -0.984 20.3-158.5-129.5 143.6 -25.8 19.1 15.4 79 79 A S E -CD 65 93A 0 14,-3.0 14,-2.0 -2,-0.4 2,-0.6 -0.982 19.8-150.2-132.8 137.3 -27.3 15.7 16.2 80 80 A V E -CD 64 92A 0 -16,-2.9 -16,-2.5 -2,-0.4 2,-0.4 -0.916 33.0-161.9 -96.6 124.2 -27.4 13.3 19.2 81 81 A I E - D 0 91A 17 10,-3.2 10,-2.4 -2,-0.6 -19,-0.1 -0.920 55.8 -11.1-118.2 136.2 -27.6 9.9 17.6 82 82 A A E S- 0 0 50 -2,-0.4 -1,-0.2 -21,-0.4 2,-0.1 0.882 75.1-164.2 45.7 54.0 -28.7 6.6 19.2 83 83 A P E - 0 0 31 0, 0.0 7,-0.2 0, 0.0 -1,-0.2 -0.479 8.1-173.5 -68.6 136.3 -28.8 7.9 22.7 84 84 A E E > > - D 0 89A 79 5,-3.1 3,-1.6 -2,-0.1 5,-1.6 -0.752 14.0-179.6-134.4 86.2 -28.9 5.0 25.2 85 85 A P G > 5S+ 0 0 45 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.827 81.8 67.3 -55.7 -29.1 -29.4 6.1 28.7 86 86 A E G 3 5S+ 0 0 175 1,-0.3 -2,-0.0 -3,-0.1 0, 0.0 0.831 113.9 29.6 -60.9 -32.3 -29.2 2.4 29.8 87 87 A H G < 5S- 0 0 122 -3,-1.6 -1,-0.3 2,-0.2 37,-0.2 0.213 108.7-122.6-110.1 12.7 -25.6 2.3 28.8 88 88 A A T < 5S+ 0 0 27 -3,-1.2 36,-3.1 -4,-0.4 37,-2.0 0.886 73.1 113.0 47.5 47.5 -24.9 6.0 29.5 89 89 A K E < +De 84 125A 72 -5,-1.6 -5,-3.1 34,-0.2 2,-0.3 -0.966 35.6 165.5-145.8 163.3 -23.8 6.6 25.9 90 90 A L E - e 0 126A 8 35,-1.4 37,-2.7 -2,-0.3 2,-0.4 -0.951 30.8-116.6-162.4 171.1 -24.6 8.4 22.6 91 91 A E E -De 81 127A 28 -10,-2.4 -10,-3.2 -2,-0.3 2,-0.4 -0.916 25.0-157.5-117.5 148.0 -23.1 9.4 19.3 92 92 A L E +D 80 0A 4 35,-2.6 37,-0.4 -2,-0.4 2,-0.3 -0.978 15.9 167.0-127.8 141.5 -22.7 13.0 18.3 93 93 A G E -D 79 0A 20 -14,-2.0 -14,-3.0 -2,-0.4 2,-0.3 -0.986 11.5-163.7-155.3 143.0 -22.4 14.4 14.8 94 94 A T E -D 78 0A 28 -2,-0.3 2,-0.3 -16,-0.2 -16,-0.2 -0.864 7.4-164.2-126.6 161.6 -22.5 17.8 13.1 95 95 A M E -D 77 0A 8 -18,-2.5 -18,-2.8 -2,-0.3 2,-0.4 -0.956 10.8-170.6-144.2 125.7 -22.9 19.3 9.6 96 96 A L E -D 76 0A 9 -2,-0.3 -20,-0.3 -20,-0.2 5,-0.1 -0.912 27.4-113.4-117.1 142.4 -22.1 22.9 8.8 97 97 A F > - 0 0 0 -22,-3.1 3,-2.0 -2,-0.4 4,-0.4 -0.420 39.6-103.6 -70.0 151.7 -22.9 24.8 5.5 98 98 A K G > S+ 0 0 56 -69,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.837 116.1 58.6 -45.3 -49.6 -19.8 25.7 3.5 99 99 A P G 3 S+ 0 0 88 0, 0.0 -1,-0.3 0, 0.0 -24,-0.0 0.718 106.5 51.3 -58.1 -19.4 -19.7 29.4 4.4 100 100 A F G X S+ 0 0 10 -3,-2.0 3,-2.3 -25,-0.2 6,-0.3 0.487 77.5 117.3 -97.0 -5.0 -19.4 28.6 8.1 101 101 A W T < S+ 0 0 72 -3,-1.8 -4,-0.0 -4,-0.4 -3,-0.0 -0.425 82.0 24.6 -61.0 135.5 -16.5 26.1 7.8 102 102 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.1 -2,-0.1 0.314 99.9 113.8 90.4 -11.4 -13.6 27.6 9.8 103 103 A S S < S- 0 0 23 -3,-2.3 3,-0.4 1,-0.1 4,-0.4 -0.297 83.9-106.1 -84.1 175.9 -16.0 29.6 12.0 104 104 A P S > S+ 0 0 38 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.566 98.6 94.3 -79.2 -6.6 -16.4 28.9 15.8 105 105 A A H > S+ 0 0 0 -5,-0.2 4,-2.3 1,-0.2 5,-0.2 0.867 81.2 46.9 -53.6 -48.6 -19.8 27.4 15.1 106 106 A N H > S+ 0 0 52 -3,-0.4 4,-2.2 -6,-0.3 5,-0.2 0.947 115.2 45.3 -62.5 -51.2 -18.8 23.7 14.8 107 107 A K H > S+ 0 0 68 -4,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.918 115.8 45.7 -61.3 -44.4 -16.6 23.7 18.0 108 108 A E H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.873 108.7 55.2 -70.9 -34.7 -19.1 25.6 20.1 109 109 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.957 113.8 42.7 -59.6 -46.9 -22.1 23.4 19.0 110 110 A K H X S+ 0 0 22 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.913 111.1 55.4 -64.1 -42.6 -20.1 20.4 20.1 111 111 A Y H X S+ 0 0 9 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.943 108.8 48.3 -53.8 -49.7 -19.0 22.2 23.3 112 112 A L H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.899 117.4 39.7 -60.0 -44.3 -22.6 22.8 24.3 113 113 A L H X S+ 0 0 2 -4,-1.9 4,-3.0 -5,-0.2 -2,-0.2 0.907 115.7 50.1 -74.3 -42.4 -23.8 19.3 23.7 114 114 A L H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 5,-0.4 0.925 110.9 50.6 -60.5 -46.1 -20.7 17.5 25.1 115 115 A R H X>S+ 0 0 88 -4,-2.6 4,-2.3 -5,-0.3 5,-0.6 0.924 113.5 45.5 -59.7 -43.0 -21.0 19.7 28.3 116 116 A H H X>S+ 0 0 27 -4,-1.6 5,-2.3 -5,-0.2 4,-1.9 0.946 113.0 48.8 -67.6 -46.9 -24.6 18.8 28.6 117 117 A A H <5S+ 0 0 2 -4,-3.0 6,-2.9 3,-0.2 -2,-0.2 0.935 122.3 32.5 -57.0 -51.2 -24.2 15.0 28.0 118 118 A F H <5S+ 0 0 0 -4,-2.5 4,-0.2 4,-0.3 -2,-0.2 0.918 128.2 34.3 -74.6 -48.1 -21.3 14.6 30.4 119 119 A E H <5S+ 0 0 87 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.808 131.9 23.4 -83.1 -30.7 -22.1 17.2 33.1 120 120 A V T < - F 0 166A 2 -94,-0.5 3,-1.7 -2,-0.3 35,-0.2 -0.365 32.3-128.7 -62.2 138.7 -16.0 8.2 6.9 132 132 A L T 3 S+ 0 0 60 33,-2.7 -1,-0.2 1,-0.3 34,-0.1 0.778 112.3 56.3 -60.4 -23.8 -12.3 7.1 6.6 133 133 A R T 3 S+ 0 0 88 32,-0.3 2,-1.9 1,-0.2 -1,-0.3 0.636 83.3 90.4 -82.1 -14.4 -12.2 9.4 3.5 134 134 A N <> + 0 0 20 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 -0.548 48.7 163.3 -84.3 75.3 -13.3 12.4 5.6 135 135 A E H > + 0 0 109 -2,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.839 67.9 60.3 -62.8 -36.6 -9.8 13.6 6.5 136 136 A R H > S+ 0 0 119 -3,-0.2 4,-2.2 1,-0.2 3,-0.3 0.965 106.8 44.3 -59.2 -51.9 -11.0 17.0 7.6 137 137 A S H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.875 111.0 55.1 -60.8 -38.4 -13.4 15.7 10.3 138 138 A Q H X S+ 0 0 8 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.863 107.7 49.5 -62.7 -36.9 -10.7 13.2 11.5 139 139 A R H X S+ 0 0 137 -4,-2.0 4,-2.3 -3,-0.3 -1,-0.2 0.911 110.6 50.3 -68.7 -40.3 -8.3 16.1 12.0 140 140 A A H X S+ 0 0 44 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.890 110.5 49.3 -64.0 -39.2 -10.9 18.1 13.9 141 141 A L H X>S+ 0 0 8 -4,-2.4 5,-2.0 2,-0.2 4,-1.2 0.881 111.0 49.0 -69.3 -34.6 -11.6 15.1 16.2 142 142 A E H <5S+ 0 0 104 -4,-1.9 3,-0.4 2,-0.2 -2,-0.2 0.923 112.0 49.1 -69.9 -39.5 -7.9 14.6 16.9 143 143 A A H <5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.880 107.6 55.6 -63.0 -39.3 -7.6 18.3 17.7 144 144 A L H <5S- 0 0 12 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.782 118.3-114.8 -62.7 -29.0 -10.6 18.0 20.0 145 145 A G T <5 + 0 0 20 -4,-1.2 -3,-0.2 -3,-0.4 -2,-0.1 0.511 60.6 153.9 103.5 7.0 -8.8 15.2 21.9 146 146 A A < - 0 0 9 -5,-2.0 2,-0.5 25,-0.1 -1,-0.3 -0.408 46.9-116.0 -66.9 146.0 -11.2 12.4 21.0 147 147 A V E -G 170 0A 63 23,-2.9 23,-1.6 -2,-0.1 2,-0.8 -0.735 16.7-131.7 -90.2 128.3 -9.5 9.0 21.0 148 148 A R E +G 169 0A 102 -2,-0.5 21,-0.2 21,-0.2 3,-0.1 -0.680 28.5 177.5 -78.5 109.2 -9.3 7.1 17.7 149 149 A E E - 0 0 96 19,-2.5 2,-0.3 -2,-0.8 -1,-0.2 0.831 48.5 -74.1 -85.2 -32.2 -10.6 3.6 18.7 150 150 A G E -G 168 0A 29 18,-1.3 18,-2.9 2,-0.0 2,-0.5 -0.961 44.1 -74.1 161.2-178.7 -10.5 1.9 15.2 151 151 A V E -G 167 0A 54 -2,-0.3 2,-1.1 16,-0.2 16,-0.2 -0.948 25.0-149.8-116.7 121.7 -11.9 1.5 11.8 152 152 A L E > -G 166 0A 78 14,-3.3 14,-2.3 -2,-0.5 3,-1.0 -0.801 30.4-138.2 -87.3 103.5 -15.1 -0.4 11.1 153 153 A R E 3 S- 0 0 206 -2,-1.1 12,-0.2 1,-0.3 11,-0.0 -0.462 75.6 -4.6 -70.5 133.5 -14.3 -1.7 7.6 154 154 A K E 3 S+ 0 0 136 -2,-0.2 -1,-0.3 1,-0.1 11,-0.2 0.905 84.2 156.1 51.9 46.3 -17.1 -1.6 5.0 155 155 A N E < + 0 0 75 -3,-1.0 2,-0.3 9,-0.8 10,-0.2 0.598 58.2 26.4 -80.3 -13.3 -19.4 -0.4 7.8 156 156 A R E -G 164 0A 42 8,-1.4 8,-2.2 -117,-0.0 2,-0.4 -0.988 67.8-140.6-147.7 155.3 -21.9 1.3 5.5 157 157 A R E -G 163 0A 161 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.930 16.5-137.0-118.7 142.3 -23.1 0.9 1.9 158 158 A L > - 0 0 33 4,-3.4 3,-2.5 -2,-0.4 -119,-0.0 -0.510 31.6-102.3 -91.7 163.2 -23.9 3.8 -0.5 159 159 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.850 122.1 56.7 -55.0 -34.0 -26.9 3.9 -2.9 160 160 A D T 3 S- 0 0 127 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.413 123.0-105.2 -78.8 4.9 -24.7 3.0 -5.8 161 161 A G S < S+ 0 0 25 -3,-2.5 2,-0.1 1,-0.3 -1,-0.1 0.353 77.3 132.1 92.8 -7.8 -23.6 -0.2 -4.0 162 162 A A - 0 0 30 -5,-0.1 -4,-3.4 1,-0.1 -1,-0.3 -0.437 48.8-131.0 -78.3 156.7 -20.1 0.9 -3.0 163 163 A F E - G 0 157A 88 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.752 16.7-163.5-107.5 152.3 -18.9 0.5 0.6 164 164 A R E - G 0 156A 61 -8,-2.2 -8,-1.4 -2,-0.3 -9,-0.8 -0.954 17.0-124.8-133.3 154.2 -17.2 2.9 2.9 165 165 A D E - 0 0 38 -2,-0.3 -33,-2.7 -11,-0.2 2,-0.4 -0.771 19.1-144.4 -99.6 144.1 -15.2 2.5 6.2 166 166 A D E -FG 131 152A 7 -14,-2.3 -14,-3.3 -2,-0.3 2,-0.5 -0.921 2.9-148.8-110.5 132.2 -16.1 4.3 9.4 167 167 A V E -FG 130 151A 0 -37,-3.6 -37,-2.2 -2,-0.4 2,-0.5 -0.861 16.9-148.3 -97.9 130.1 -13.5 5.6 11.9 168 168 A V E +FG 129 150A 10 -18,-2.9 -19,-2.5 -2,-0.5 -18,-1.3 -0.871 19.9 174.0-104.7 131.8 -14.8 5.5 15.5 169 169 A Y E -FG 128 148A 1 -41,-2.9 -41,-2.6 -2,-0.5 2,-0.3 -0.888 6.1-171.8-126.6 157.0 -13.7 8.1 18.0 170 170 A S E -FG 127 147A 2 -23,-1.6 -23,-2.9 -2,-0.3 2,-0.4 -0.994 20.4-154.0-151.7 156.0 -14.8 8.6 21.6 171 171 A V E -F 126 0A 0 -45,-2.2 -45,-2.2 -2,-0.3 2,-0.2 -0.999 22.9-151.5-125.0 125.5 -14.5 10.9 24.6 172 172 A L E >> -F 125 0A 45 -2,-0.4 4,-1.3 -47,-0.2 3,-1.1 -0.641 28.4-108.9 -95.7 158.8 -15.1 9.3 28.0 173 173 A K G >4 S+ 0 0 68 -49,-2.1 3,-0.7 1,-0.3 -48,-0.1 0.891 120.8 54.0 -53.0 -42.7 -16.5 11.2 31.0 174 174 A E G 34 S+ 0 0 124 1,-0.2 4,-0.3 -50,-0.2 -1,-0.3 0.785 111.5 47.3 -62.4 -28.2 -13.0 11.0 32.7 175 175 A E G <> S+ 0 0 70 -3,-1.1 4,-1.9 1,-0.1 3,-0.4 0.642 89.4 86.6 -87.2 -16.9 -11.6 12.7 29.6 176 176 A W H S+ 0 0 81 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.912 110.6 45.8 -53.6 -41.2 -12.6 18.0 31.5 178 178 A G H > S+ 0 0 44 -3,-0.4 4,-1.7 -4,-0.3 -2,-0.2 0.891 114.9 46.2 -66.1 -41.9 -9.4 17.9 29.4 179 179 A V H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.903 111.3 53.5 -66.2 -41.5 -11.4 18.1 26.2 180 180 A K H X S+ 0 0 46 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.893 106.5 52.7 -58.9 -43.5 -13.5 20.9 27.6 181 181 A A H X S+ 0 0 56 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.917 109.6 48.0 -61.9 -43.1 -10.3 22.9 28.5 182 182 A R H X S+ 0 0 107 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.920 112.2 49.0 -65.1 -42.8 -9.0 22.6 24.9 183 183 A L H >X S+ 0 0 7 -4,-2.3 4,-1.3 1,-0.2 3,-0.6 0.930 110.8 50.4 -62.4 -44.9 -12.3 23.7 23.4 184 184 A E H 3X S+ 0 0 71 -4,-2.7 4,-2.8 1,-0.2 3,-0.2 0.880 105.1 56.2 -62.9 -37.0 -12.6 26.7 25.8 185 185 A A H 3< S+ 0 0 51 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.800 113.9 41.7 -63.9 -28.4 -9.0 27.9 24.9 186 186 A R H << S+ 0 0 110 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.622 122.7 37.9 -93.1 -17.4 -10.1 28.0 21.3 187 187 A L H < S+ 0 0 0 -4,-1.3 2,-0.2 -3,-0.2 -2,-0.2 0.773 114.2 34.3-103.4 -33.2 -13.5 29.5 21.8 188 188 A Y S X S+ 0 0 28 -4,-2.8 4,-2.0 -5,-0.2 3,-0.3 -0.750 87.7 23.4-127.0 169.8 -13.2 32.1 24.6 189 189 A G H > S- 0 0 43 -2,-0.2 4,-2.5 3,-0.2 -4,-0.0 -0.151 106.6 -47.6 73.3-171.6 -10.9 34.7 26.2 190 190 A A H 4 S+ 0 0 94 1,-0.2 -1,-0.2 2,-0.2 -5,-0.0 0.808 141.1 52.3 -65.8 -27.0 -8.1 36.5 24.5 191 191 A S H 4 S+ 0 0 93 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.863 124.2 19.8 -77.3 -40.9 -6.9 33.1 23.2 192 192 A G H < S+ 0 0 16 -4,-2.0 -3,-0.2 -8,-0.2 -2,-0.2 0.618 135.3 28.9-108.1 -13.1 -10.1 31.8 21.6 193 193 A N < 0 0 75 -4,-2.5 -4,-0.2 -5,-0.2 -2,-0.1 -0.342 360.0 360.0-146.1 60.9 -12.2 34.9 21.1 194 194 A P 0 0 166 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.195 360.0 360.0 -61.5 360.0 -9.9 38.0 20.5