==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-09 3K1J . COMPND 2 MOLECULE: ATP-DEPENDENT PROTEASE LON; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS ONNURINEUS; . AUTHOR S.S.CHA,Y.J.AN . 1127 6 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 783 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 9.5 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 68 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 358 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 7 2 1 0 2 0 6 4 1 6 2 2 1 1 5 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 7 3 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 . 9 8 4 0 0 2 3 1 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 . 8 4 0 2 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 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 18 A G 0 0 135 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 157.0 -60.2 -71.7 9.0 2 19 A E + 0 0 64 2,-0.0 2,-0.3 522,-0.0 522,-0.0 -0.959 360.0 134.7-127.6 112.1 -56.6 -70.5 8.8 3 20 A S - 0 0 82 -2,-0.5 2,-0.3 288,-0.0 285,-0.1 -0.876 39.6-124.9-146.4 178.1 -55.7 -67.5 6.7 4 21 A L - 0 0 35 -2,-0.3 2,-0.6 0, 0.0 287,-0.1 -0.936 29.7-109.1-130.5 152.3 -53.8 -64.2 6.5 5 22 A E + 0 0 96 -2,-0.3 260,-0.1 1,-0.1 4,-0.1 -0.729 36.7 174.4 -80.7 118.2 -54.8 -60.7 5.6 6 23 A L - 0 0 0 -2,-0.6 263,-0.2 2,-0.3 -1,-0.1 0.341 48.9-111.5-107.6 3.2 -53.2 -60.0 2.2 7 24 A G S S+ 0 0 35 1,-0.1 2,-0.3 258,-0.1 -2,-0.1 0.623 93.8 63.8 78.1 10.4 -54.7 -56.6 1.5 8 25 A I S S- 0 0 40 2,-0.1 2,-0.5 261,-0.0 -2,-0.3 -0.953 73.5-131.5-164.1 145.0 -56.9 -57.9 -1.3 9 26 A E + 0 0 142 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.0 -0.885 43.5 138.5-103.5 128.5 -59.7 -60.4 -1.7 10 27 A F - 0 0 17 -2,-0.5 277,-0.2 1,-0.1 3,-0.1 -0.982 48.1-142.1-161.0 165.4 -59.5 -63.0 -4.5 11 28 A T S S- 0 0 100 1,-0.5 276,-1.5 -2,-0.3 2,-0.3 0.836 87.4 -3.4 -99.1 -50.9 -60.1 -66.6 -5.3 12 29 A T B > S-A 286 0A 7 274,-0.2 3,-1.9 275,-0.1 -1,-0.5 -0.933 74.6-104.7-137.9 163.4 -57.1 -67.3 -7.5 13 30 A T G > S+ 0 0 2 272,-2.0 3,-1.2 -2,-0.3 273,-0.1 0.522 106.7 85.1 -67.2 -5.7 -54.2 -65.2 -8.9 14 31 A E G 3 S+ 0 0 120 1,-0.3 -1,-0.3 271,-0.2 272,-0.1 0.776 88.8 53.5 -66.1 -22.0 -55.9 -65.2 -12.2 15 32 A E G < S+ 0 0 111 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.536 89.7 99.7 -87.0 -9.5 -57.8 -62.2 -10.9 16 33 A I S < S- 0 0 12 -3,-1.2 2,-0.2 -4,-0.2 -6,-0.0 -0.674 74.0-125.3 -87.7 130.2 -54.6 -60.4 -9.9 17 34 A E - 0 0 157 -2,-0.4 257,-0.1 1,-0.0 256,-0.1 -0.470 17.0-151.0 -73.2 137.9 -53.3 -57.6 -12.2 18 35 A V - 0 0 29 -2,-0.2 7,-0.1 255,-0.1 -1,-0.0 -0.938 22.9-117.6-113.5 115.7 -49.7 -57.9 -13.4 19 36 A P - 0 0 25 0, 0.0 6,-0.1 0, 0.0 0, 0.0 -0.171 18.2-132.8 -51.1 142.0 -48.0 -54.6 -14.1 20 37 A E S S+ 0 0 192 4,-0.0 2,-0.3 3,-0.0 5,-0.0 0.884 83.3 59.7 -64.7 -43.3 -46.9 -54.3 -17.8 21 38 A K S >> S- 0 0 94 1,-0.1 3,-1.0 45,-0.0 4,-0.6 -0.689 78.2-129.7-100.2 147.9 -43.4 -53.1 -17.2 22 39 A L H >> S+ 0 0 19 -2,-0.3 3,-1.6 1,-0.3 4,-1.0 0.861 104.5 63.2 -55.8 -42.1 -40.6 -54.8 -15.3 23 40 A I H 34 S+ 0 0 4 39,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.846 104.3 49.1 -56.7 -31.9 -39.7 -51.8 -13.2 24 41 A D H <4 S+ 0 0 66 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.609 104.5 59.7 -83.2 -10.3 -43.2 -52.0 -11.6 25 42 A Q H << S+ 0 0 19 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.649 78.4 105.0 -88.7 -17.5 -42.8 -55.8 -10.9 26 43 A V < - 0 0 17 -4,-1.0 2,-0.4 -3,-0.4 29,-0.0 -0.519 62.2-152.7 -68.0 124.7 -39.8 -55.3 -8.7 27 44 A I - 0 0 8 -2,-0.3 284,-0.1 1,-0.1 -2,-0.1 -0.817 58.0 -6.5-107.1 138.6 -40.9 -55.8 -5.1 28 45 A G S S+ 0 0 2 -2,-0.4 3,-0.2 1,-0.1 2,-0.2 0.348 95.7 100.8 67.2 -0.9 -39.3 -54.3 -2.0 29 46 A Q > + 0 0 8 1,-0.2 4,-2.8 2,-0.1 5,-0.3 -0.335 37.2 155.8-110.8 51.4 -36.2 -52.5 -3.4 30 47 A E H > S+ 0 0 111 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.837 73.2 47.3 -44.2 -45.9 -37.7 -49.0 -3.4 31 48 A H H > S+ 0 0 59 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.954 112.9 47.3 -65.3 -48.8 -34.3 -47.4 -3.3 32 49 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.877 112.1 52.4 -58.9 -37.8 -32.8 -49.5 -6.0 33 50 A V H X S+ 0 0 17 -4,-2.8 4,-2.0 2,-0.2 -1,-0.2 0.892 108.8 49.0 -65.2 -41.2 -35.9 -48.9 -8.2 34 51 A E H X S+ 0 0 51 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.889 111.3 50.5 -66.9 -37.5 -35.5 -45.1 -7.7 35 52 A V H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.944 109.2 50.8 -64.7 -46.4 -31.8 -45.4 -8.7 36 53 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.892 110.7 48.7 -59.5 -41.6 -32.6 -47.4 -11.8 37 54 A K H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.925 115.3 43.6 -64.9 -45.1 -35.3 -44.8 -13.0 38 55 A T H X S+ 0 0 15 -4,-2.1 4,-3.3 1,-0.2 5,-0.2 0.918 114.8 50.0 -65.6 -42.2 -32.9 -41.9 -12.4 39 56 A A H <>S+ 0 0 0 -4,-3.2 5,-2.1 1,-0.2 4,-0.4 0.839 110.9 49.6 -65.0 -36.4 -30.0 -43.8 -14.1 40 57 A A H <5S+ 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.927 117.2 40.5 -69.3 -44.1 -32.2 -44.6 -17.1 41 58 A N H <5S+ 0 0 129 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.935 124.7 35.0 -70.5 -47.4 -33.3 -41.0 -17.5 42 59 A Q T <5S- 0 0 29 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.372 109.2-123.1 -87.8 4.7 -30.0 -39.3 -16.8 43 60 A K T 5 + 0 0 77 -4,-0.4 2,-0.4 -5,-0.2 -3,-0.2 0.976 52.9 157.4 50.8 71.1 -28.1 -42.1 -18.5 44 61 A R < - 0 0 4 -5,-2.1 205,-0.2 -8,-0.1 -1,-0.2 -0.950 41.3-112.4-128.2 148.2 -25.8 -43.1 -15.6 45 62 A H - 0 0 18 203,-0.4 205,-2.0 -2,-0.4 2,-0.4 -0.390 31.6-154.6 -75.6 153.9 -23.9 -46.3 -14.8 46 63 A V E -bc 226 250B 0 179,-2.7 181,-2.7 203,-0.2 2,-0.5 -0.981 15.7-158.1-136.5 144.0 -24.9 -48.5 -11.9 47 64 A L E -bc 227 251B 0 203,-2.5 205,-2.9 -2,-0.4 2,-0.6 -0.980 15.0-163.8-119.6 117.2 -23.2 -51.0 -9.6 48 65 A L E -bc 228 252B 0 179,-3.3 181,-1.5 -2,-0.5 2,-0.5 -0.900 5.5-170.7-106.2 115.6 -25.7 -53.4 -7.8 49 66 A I E +bc 229 253B 0 203,-3.3 205,-3.3 -2,-0.6 2,-0.3 -0.914 30.1 104.7-110.2 124.3 -24.3 -55.3 -4.8 50 67 A G - 0 0 2 179,-2.7 3,-0.1 -2,-0.5 205,-0.1 -0.989 66.4 -61.2-178.0 173.8 -26.3 -58.1 -3.2 51 68 A E > - 0 0 54 -2,-0.3 3,-0.5 203,-0.3 5,-0.2 -0.253 68.4 -87.4 -65.0 156.4 -26.9 -61.8 -2.6 52 69 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 260,-0.1 -0.352 111.4 28.3 -67.4 151.0 -27.7 -63.9 -5.6 53 70 A G T 3 S+ 0 0 14 259,-0.1 259,-1.8 -3,-0.1 260,-0.4 0.855 83.0 117.4 70.0 37.5 -31.4 -64.1 -6.6 54 71 A T S < S- 0 0 9 -3,-0.5 201,-0.1 256,-0.2 -3,-0.1 0.265 92.6 -91.5-117.7 7.7 -32.2 -60.6 -5.2 55 72 A G S > S+ 0 0 23 199,-0.1 4,-2.2 -5,-0.1 5,-0.1 0.653 80.6 133.8 93.8 18.9 -33.3 -59.0 -8.5 56 73 A K H > S+ 0 0 9 -5,-0.2 4,-1.8 2,-0.2 5,-0.1 0.962 81.8 39.6 -64.9 -50.7 -30.0 -57.5 -9.8 57 74 A S H > S+ 0 0 36 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 112.8 57.2 -64.4 -39.0 -30.4 -58.8 -13.3 58 75 A M H > S+ 0 0 35 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.922 106.7 49.9 -57.9 -43.0 -34.2 -58.1 -13.2 59 76 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.892 108.5 51.9 -63.4 -39.7 -33.3 -54.4 -12.4 60 77 A G H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.925 111.9 46.4 -63.0 -42.5 -30.9 -54.3 -15.3 61 78 A Q H X S+ 0 0 70 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.887 110.4 53.5 -65.7 -38.9 -33.7 -55.6 -17.6 62 79 A A H X S+ 0 0 1 -4,-2.5 4,-0.7 1,-0.2 -39,-0.3 0.881 106.2 52.8 -63.1 -38.7 -36.1 -53.2 -16.1 63 80 A M H >< S+ 0 0 0 -4,-2.3 3,-1.0 1,-0.2 4,-0.5 0.886 103.3 58.3 -64.3 -37.5 -33.8 -50.3 -16.9 64 81 A A H >< S+ 0 0 0 -4,-1.6 3,-1.4 1,-0.3 66,-0.6 0.903 102.2 53.3 -59.6 -42.0 -33.6 -51.5 -20.5 65 82 A E H 3< S+ 0 0 62 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.692 105.2 57.0 -65.4 -19.1 -37.3 -51.1 -20.9 66 83 A L T << S+ 0 0 48 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.500 88.7 96.0 -90.7 -4.6 -37.0 -47.5 -19.6 67 84 A L S < S- 0 0 12 -3,-1.4 63,-0.5 -4,-0.5 -26,-0.1 -0.532 89.9 -85.7 -86.7 153.5 -34.5 -46.5 -22.3 68 85 A P - 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.232 39.1-175.6 -54.9 142.3 -35.5 -44.7 -25.6 69 86 A T + 0 0 52 60,-0.1 3,-0.4 61,-0.1 60,-0.1 0.348 64.1 76.8-124.4 2.7 -36.5 -47.1 -28.4 70 87 A E S S+ 0 0 145 1,-0.2 -1,-0.1 58,-0.0 24,-0.0 0.552 95.3 45.8 -94.8 -6.8 -37.1 -44.9 -31.4 71 88 A T S S+ 0 0 80 101,-0.1 -1,-0.2 22,-0.1 -2,-0.1 0.082 74.0 145.6-122.2 23.8 -33.5 -44.2 -32.4 72 89 A L - 0 0 7 -3,-0.4 22,-2.1 55,-0.1 2,-0.3 -0.258 34.0-151.0 -59.1 149.3 -32.1 -47.7 -32.2 73 90 A E E -F 93 0C 48 98,-0.3 2,-0.3 20,-0.2 51,-0.1 -0.820 14.1-132.8-127.0 164.5 -29.4 -48.4 -34.7 74 91 A D E -F 92 0C 0 18,-2.8 18,-1.7 -2,-0.3 2,-0.5 -0.850 23.4-139.0-108.7 147.5 -27.8 -51.2 -36.7 75 92 A I E -FG 91 122C 1 47,-2.3 46,-2.1 -2,-0.3 47,-1.6 -0.955 21.0-175.1-115.5 124.3 -24.1 -51.5 -36.9 76 93 A L E -FG 90 120C 0 14,-3.2 14,-2.6 -2,-0.5 2,-0.5 -0.886 13.8-152.9-116.3 146.3 -22.4 -52.4 -40.2 77 94 A V E -FG 89 119C 0 42,-2.6 42,-2.6 -2,-0.3 12,-0.2 -0.981 16.8-169.2-120.2 128.2 -18.8 -53.1 -41.0 78 95 A F E -F 88 0C 37 10,-3.2 10,-1.7 -2,-0.5 2,-0.1 -0.731 29.7 -96.8-111.9 162.3 -17.5 -52.4 -44.6 79 96 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 6,-0.1 -0.500 33.6-134.3 -75.8 149.3 -14.3 -53.3 -46.3 80 97 A N > - 0 0 12 4,-0.2 3,-0.7 1,-0.1 6,-0.2 -0.902 13.5-166.5-109.3 105.3 -11.7 -50.5 -46.4 81 98 A P T 3 S+ 0 0 123 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.834 90.5 46.5 -56.0 -36.1 -10.1 -50.0 -49.9 82 99 A E T 3 S+ 0 0 161 1,-0.2 2,-0.1 4,-0.1 -2,-0.0 0.665 131.2 12.4 -82.3 -20.7 -7.3 -47.9 -48.4 83 100 A D X - 0 0 31 -3,-0.7 3,-2.5 3,-0.1 -1,-0.2 -0.585 61.1-167.7-160.6 88.8 -6.4 -50.1 -45.5 84 101 A E T 3 S+ 0 0 80 -3,-0.3 -4,-0.2 1,-0.3 75,-0.1 0.781 87.9 60.5 -51.7 -32.8 -7.8 -53.6 -45.4 85 102 A N T 3 S+ 0 0 15 1,-0.2 130,-3.0 630,-0.2 -1,-0.3 0.391 99.5 59.2 -79.5 4.5 -6.8 -54.1 -41.7 86 103 A M S < S- 0 0 64 -3,-2.5 -1,-0.2 128,-0.2 130,-0.2 -0.580 79.8-162.5-129.2 70.2 -9.0 -51.2 -40.6 87 104 A P - 0 0 0 0, 0.0 130,-1.9 0, 0.0 2,-0.2 -0.159 22.1-116.3 -50.1 143.3 -12.5 -52.1 -41.7 88 105 A R E -F 78 0C 121 -10,-1.7 -10,-3.2 128,-0.2 2,-0.4 -0.580 23.8-143.4 -89.8 150.7 -14.9 -49.2 -41.7 89 106 A I E +F 77 0C 28 -12,-0.2 2,-0.4 -2,-0.2 -12,-0.2 -0.899 16.9 178.4-117.3 141.9 -17.9 -48.8 -39.5 90 107 A K E -F 76 0C 111 -14,-2.6 -14,-3.2 -2,-0.4 2,-0.4 -0.996 12.7-156.6-143.3 135.1 -21.4 -47.4 -40.2 91 108 A T E +F 75 0C 50 -2,-0.4 -16,-0.2 -16,-0.2 3,-0.0 -0.891 18.7 172.3-109.1 140.7 -24.5 -47.0 -38.0 92 109 A V E -F 74 0C 11 -18,-1.7 -18,-2.8 -2,-0.4 5,-0.2 -0.920 44.1 -71.8-139.8 164.4 -28.0 -46.7 -39.6 93 110 A P E > S-F 73 0C 84 0, 0.0 3,-2.2 0, 0.0 4,-0.5 -0.280 70.5 -81.9 -58.1 144.7 -31.6 -46.6 -38.3 94 111 A A T 3 S+ 0 0 30 -22,-2.1 29,-0.1 1,-0.2 -20,-0.1 -0.110 118.1 25.5 -46.9 144.4 -32.7 -50.1 -37.2 95 112 A a T 3> S+ 0 0 31 -3,-0.1 4,-1.0 1,-0.1 -1,-0.2 0.017 100.7 88.5 85.8 -24.3 -33.9 -52.3 -40.1 96 113 A Q H <> S+ 0 0 74 -3,-2.2 4,-2.6 1,-0.2 5,-0.2 0.852 76.9 64.5 -71.1 -35.2 -31.8 -50.4 -42.6 97 114 A G H > S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 5,-0.2 0.910 100.6 48.9 -54.3 -48.6 -28.8 -52.7 -42.0 98 115 A R H > S+ 0 0 119 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 112.1 49.9 -58.7 -43.3 -30.5 -55.8 -43.3 99 116 A R H X S+ 0 0 139 -4,-1.0 4,-2.6 2,-0.2 -2,-0.2 0.924 109.6 50.0 -62.7 -47.6 -31.6 -54.0 -46.4 100 117 A I H X S+ 0 0 27 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.921 115.0 43.3 -58.7 -46.7 -28.1 -52.6 -47.1 101 118 A V H X S+ 0 0 15 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.951 112.9 51.8 -64.1 -49.7 -26.5 -56.0 -46.8 102 119 A E H X S+ 0 0 85 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.886 110.1 51.1 -52.3 -44.8 -29.3 -57.7 -48.8 103 120 A K H X S+ 0 0 143 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.942 113.9 41.3 -59.9 -53.6 -28.8 -55.2 -51.6 104 121 A Y H X S+ 0 0 91 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.876 112.5 56.1 -64.9 -38.4 -25.0 -55.6 -51.8 105 122 A R H X S+ 0 0 136 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.904 106.8 49.4 -61.8 -41.3 -25.3 -59.4 -51.5 106 123 A E H X S+ 0 0 118 -4,-2.1 4,-2.7 -5,-0.2 -1,-0.2 0.923 110.8 49.6 -65.3 -42.5 -27.7 -59.5 -54.5 107 124 A K H X S+ 0 0 122 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.923 110.0 51.3 -62.0 -43.2 -25.3 -57.4 -56.6 108 125 A A H X S+ 0 0 21 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.928 111.0 47.7 -58.6 -47.3 -22.4 -59.7 -55.7 109 126 A K H >< S+ 0 0 157 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.956 113.6 48.1 -58.9 -50.1 -24.3 -62.8 -56.6 110 127 A S H >< S+ 0 0 86 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.962 107.4 55.8 -53.6 -57.1 -25.4 -61.2 -59.9 111 128 A Q H 3< S+ 0 0 117 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.685 90.3 71.2 -51.9 -25.5 -21.8 -60.0 -60.8 112 129 A E T << 0 0 150 -4,-1.2 -1,-0.3 -3,-0.8 -2,-0.1 0.156 360.0 360.0 -82.2 26.3 -20.3 -63.5 -60.5 113 130 A S < 0 0 147 -3,-1.1 -1,-0.2 0, 0.0 -2,-0.1 0.424 360.0 360.0 5.1 360.0 -22.2 -64.2 -63.7 114 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 115 179 A V 0 0 94 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 139.8 -18.0 -57.1 -55.2 116 180 A L - 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0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.073 36.5-160.0 -57.6 153.2 -32.4 -62.7 21.5 493 560 A I - 0 0 15 -12,-0.1 3,-0.4 21,-0.1 2,-0.3 -0.838 18.1-110.8-129.7 165.7 -31.3 -65.7 19.4 494 561 A G S S+ 0 0 63 -2,-0.3 -113,-0.1 1,-0.2 -191,-0.0 -0.749 90.4 26.5 -99.7 149.7 -31.5 -66.6 15.7 495 562 A G > + 0 0 28 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.852 61.3 162.7 74.1 36.3 -33.7 -69.4 14.3 496 563 A A H > S+ 0 0 2 -3,-0.4 4,-2.2 1,-0.2 5,-0.2 0.897 75.4 48.3 -54.4 -43.6 -36.5 -69.4 16.9 497 564 A T H > S+ 0 0 10 23,-0.6 4,-2.8 2,-0.2 5,-0.2 0.965 111.6 46.6 -65.1 -52.3 -38.9 -71.3 14.6 498 565 A P H > S+ 0 0 18 0, 0.0 4,-1.4 0, 0.0 -111,-0.2 0.874 114.3 50.7 -57.7 -35.3 -36.4 -74.1 13.5 499 566 A A H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.920 111.4 46.4 -67.5 -44.3 -35.4 -74.5 17.1 500 567 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.873 108.0 56.6 -67.0 -36.8 -39.0 -74.8 18.3 501 568 A E H X S+ 0 0 56 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.861 105.1 52.8 -64.0 -31.2 -39.8 -77.3 15.5 502 569 A A H X S+ 0 0 4 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.895 108.2 49.8 -69.3 -38.6 -37.0 -79.5 16.8 503 570 A A H X>S+ 0 0 0 -4,-1.5 5,-2.5 2,-0.2 4,-0.6 0.946 111.6 49.2 -63.1 -47.4 -38.5 -79.4 20.3 504 571 A I H ><5S+ 0 0 25 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.920 110.2 50.2 -57.9 -45.6 -41.9 -80.4 18.8 505 572 A E H 3<5S+ 0 0 138 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.829 110.2 51.4 -63.5 -31.3 -40.4 -83.2 16.8 506 573 A A H 3<5S- 0 0 24 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.520 118.8-110.3 -83.6 -7.8 -38.6 -84.5 19.9 507 574 A G T <<5 + 0 0 37 -3,-1.2 2,-0.4 -4,-0.6 -3,-0.2 0.734 62.0 154.7 86.5 21.3 -41.8 -84.5 21.9 508 575 A I < - 0 0 2 -5,-2.5 -1,-0.3 -6,-0.2 -30,-0.1 -0.722 29.5-159.3 -83.1 131.1 -40.9 -81.6 24.2 509 576 A K + 0 0 103 -32,-0.6 23,-2.8 -2,-0.4 2,-0.4 0.763 69.5 35.4 -84.3 -27.7 -44.1 -80.0 25.5 510 577 A M E -st 478 532J 16 -33,-2.1 -31,-2.1 21,-0.2 2,-0.4 -0.978 62.0-168.6-129.3 141.6 -42.8 -76.6 26.6 511 578 A V E -st 479 533J 0 21,-2.4 23,-2.8 -2,-0.4 2,-0.4 -0.996 10.7-148.8-133.1 133.1 -40.2 -74.3 25.1 512 579 A I E +st 480 534J 0 -33,-2.8 -31,-1.8 -2,-0.4 21,-0.1 -0.859 25.6 164.9-100.2 132.3 -38.6 -71.2 26.6 513 580 A I E - t 0 535J 0 21,-1.9 23,-2.7 -2,-0.4 -31,-0.1 -0.927 44.9 -82.5-140.4 163.9 -37.4 -68.4 24.3 514 581 A P E > - t 0 536J 1 0, 0.0 3,-2.2 0, 0.0 23,-0.2 -0.451 32.9-131.3 -67.6 139.9 -36.5 -64.7 24.6 515 582 A K G > S+ 0 0 82 21,-3.0 3,-1.9 1,-0.3 4,-0.3 0.843 108.4 69.8 -59.4 -29.8 -39.5 -62.4 24.6 516 583 A S G 3 S+ 0 0 35 20,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.711 99.7 47.9 -57.5 -23.6 -37.5 -60.5 22.0 517 584 A N G X S+ 0 0 1 -3,-2.2 3,-2.5 1,-0.2 -1,-0.3 0.296 73.5 106.9-102.9 6.9 -38.1 -63.4 19.6 518 585 A E G X S+ 0 0 78 -3,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.846 82.0 52.8 -58.7 -27.9 -41.9 -63.9 20.1 519 586 A K G 3 S+ 0 0 134 -4,-0.3 -214,-0.6 -3,-0.3 -1,-0.3 0.416 97.8 66.9 -86.0 6.6 -42.5 -62.4 16.7 520 587 A D G < S+ 0 0 17 -3,-2.5 2,-0.6 -216,-0.1 -23,-0.6 0.267 77.5 104.0-103.5 7.5 -40.0 -64.8 15.1 521 588 A V < + 0 0 32 -3,-1.0 2,-0.5 -4,-0.2 -222,-0.0 -0.826 45.0 177.0 -95.8 119.9 -42.3 -67.8 15.9 522 589 A F + 0 0 39 -2,-0.6 2,-0.4 -223,-0.1 -3,-0.0 -0.912 13.0 156.3-126.9 101.9 -44.1 -69.1 12.8 523 590 A L - 0 0 40 -2,-0.5 -2,-0.0 3,-0.0 2,-0.0 -0.980 38.9-122.6-130.0 139.8 -46.2 -72.2 13.5 524 591 A S > - 0 0 27 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.315 38.9-102.0 -71.2 162.8 -49.2 -73.5 11.7 525 592 A K H > S+ 0 0 137 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.926 122.6 54.2 -50.6 -47.0 -52.4 -73.9 13.7 526 593 A D H >4 S+ 0 0 88 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.941 111.1 39.8 -54.1 -59.9 -51.6 -77.7 13.9 527 594 A K H >4 S+ 0 0 75 1,-0.2 3,-1.3 2,-0.2 4,-0.4 0.823 107.1 65.1 -63.3 -32.6 -48.1 -77.5 15.3 528 595 A A H >< S+ 0 0 45 -4,-2.4 3,-1.1 1,-0.3 -1,-0.2 0.857 96.7 57.0 -59.4 -34.9 -49.0 -74.6 17.7 529 596 A E T << S+ 0 0 143 -4,-1.3 -1,-0.3 -3,-0.7 -2,-0.2 0.697 98.1 63.0 -69.9 -19.7 -51.3 -77.0 19.5 530 597 A K T < S+ 0 0 117 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 0.562 106.7 36.1 -84.3 -6.2 -48.5 -79.4 20.2 531 598 A I < - 0 0 14 -3,-1.1 2,-0.6 -4,-0.4 -21,-0.2 -0.997 65.2-133.2-151.1 150.6 -46.4 -77.0 22.4 532 599 A Q E -t 510 0J 113 -23,-2.8 -21,-2.4 -2,-0.3 2,-0.5 -0.901 25.3-151.0-102.2 121.4 -46.5 -74.3 25.0 533 600 A I E -t 511 0J 56 -2,-0.6 -21,-0.2 -23,-0.2 -23,-0.0 -0.817 8.8-168.1 -98.8 126.6 -44.3 -71.3 24.2 534 601 A F E -t 512 0J 63 -23,-2.8 -21,-1.9 -2,-0.5 2,-0.4 -0.862 4.4-162.6-114.1 96.8 -42.9 -69.3 27.1 535 602 A P E -t 513 0J 45 0, 0.0 2,-0.3 0, 0.0 -20,-0.1 -0.639 18.7-172.1 -79.3 132.5 -41.3 -66.0 26.1 536 603 A V E -t 514 0J 5 -23,-2.7 -21,-3.0 -2,-0.4 -20,-0.4 -0.880 31.6-168.8-128.1 160.9 -39.0 -64.6 28.9 537 604 A E S S+ 0 0 111 -2,-0.3 -47,-2.5 -23,-0.2 2,-0.3 0.603 73.5 39.4-116.4 -23.3 -37.0 -61.5 29.8 538 605 A T B >> S-X 489 0N 8 -49,-0.3 4,-1.1 1,-0.1 3,-0.9 -0.942 74.5-119.0-134.7 155.5 -34.9 -62.6 32.8 539 606 A I H 3> S+ 0 0 0 -51,-2.2 4,-2.1 -2,-0.3 3,-0.2 0.828 111.1 61.1 -60.3 -33.9 -33.0 -65.6 34.0 540 607 A D H 3> S+ 0 0 15 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.835 101.9 53.7 -64.8 -30.4 -35.2 -66.0 37.1 541 608 A E H <> S+ 0 0 51 -3,-0.9 4,-1.1 2,-0.2 -1,-0.2 0.839 106.3 52.2 -70.0 -35.1 -38.2 -66.6 34.8 542 609 A V H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 3,-0.3 0.928 111.2 47.7 -64.9 -45.2 -36.3 -69.3 33.0 543 610 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.856 105.8 56.4 -67.2 -34.7 -35.6 -71.1 36.3 544 611 A E H < S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.2 39.7 -69.6 -24.3 -39.1 -70.8 37.6 545 612 A I H < S+ 0 0 35 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.898 122.8 37.9 -85.7 -45.7 -40.3 -72.7 34.5 546 613 A A H < S+ 0 0 0 -4,-2.7 -71,-2.9 -5,-0.1 2,-0.2 0.809 97.9 81.4 -79.1 -34.4 -37.5 -75.2 34.1 547 614 A L B < S-N 474 0I 2 -4,-2.3 -73,-0.2 -5,-0.2 2,-0.1 -0.555 87.0-109.4 -78.7 139.0 -36.7 -76.2 37.8 548 615 A E - 0 0 85 -75,-2.8 5,-0.2 -2,-0.2 -1,-0.1 -0.400 43.7 -95.9 -66.0 139.9 -39.0 -78.7 39.4 549 616 A E + 0 0 113 -4,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.307 66.2 120.0 -62.7 136.0 -41.2 -77.3 42.2 550 617 A S S > S- 0 0 42 1,-0.1 4,-1.7 -3,-0.1 5,-0.1 -0.954 73.4 -95.9-177.8 172.4 -40.2 -77.4 45.8 551 618 A E H > S+ 0 0 122 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.867 122.8 59.0 -70.5 -37.1 -39.4 -75.3 48.8 552 619 A K H > S+ 0 0 110 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 106.0 47.5 -57.1 -43.7 -35.7 -75.5 47.8 553 620 A K H > S+ 0 0 6 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 109.6 50.5 -67.3 -46.5 -36.5 -74.0 44.4 554 621 A R H X S+ 0 0 132 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.868 112.1 49.0 -62.1 -33.8 -38.5 -71.1 45.7 555 622 A E H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.862 110.8 51.1 -71.3 -35.6 -35.7 -70.3 48.2 556 623 A L H X S+ 0 0 2 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.946 109.3 49.7 -65.8 -48.5 -33.2 -70.5 45.3 557 624 A L H X S+ 0 0 7 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.904 111.0 49.3 -57.0 -45.5 -35.3 -68.1 43.2 558 625 A R H X S+ 0 0 137 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.926 112.0 49.4 -59.7 -45.2 -35.6 -65.6 46.0 559 626 A R H < S+ 0 0 75 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.900 114.3 44.2 -62.4 -42.7 -31.8 -65.8 46.6 560 627 A I H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.2 4,-0.5 0.921 107.8 57.1 -70.3 -42.3 -31.1 -65.3 42.9 561 628 A R H >< S+ 0 0 98 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.802 97.7 65.4 -58.9 -26.9 -33.6 -62.4 42.5 562 629 A E T 3< S+ 0 0 126 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 103.0 46.3 -65.2 -26.9 -31.7 -60.7 45.3 563 630 A T T < S+ 0 0 27 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.447 99.9 82.0 -95.5 -3.0 -28.6 -60.5 43.0 564 631 A L S < S- 0 0 17 -3,-0.9 -76,-0.1 -4,-0.5 -77,-0.1 -0.739 90.7 -94.7-101.4 151.7 -30.5 -59.2 39.9 565 632 A P > - 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