==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER REPLICATION 26-JUN-08 3DKY . COMPND 2 MOLECULE: REPLICATION PROTEIN REPB; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS AGALACTIAE; . AUTHOR D.R.BOER,J.A.RUIZ-MASO,A.G.BLANCO,M.VIVES-LLACER,I.USON, . 1161 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 856 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 141 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 89 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 395 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.0 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 6 0 12 6 0 0 0 6 0 0 12 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 8 4 14 0 0 1 0 5 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 6 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 4 A E 0 0 212 0, 0.0 64,-0.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 147.7 21.3 33.6 -27.0 2 5 A K E +A 64 0A 140 62,-0.2 2,-0.3 63,-0.1 62,-0.2 -0.706 360.0 149.8-118.6 150.4 19.6 30.4 -25.8 3 6 A A E -A 63 0A 29 60,-2.7 60,-1.8 -2,-0.3 56,-0.1 -0.972 37.7-131.9-165.5 164.1 16.4 28.2 -26.3 4 7 A R E S+ 0 0 32 -2,-0.3 55,-2.4 58,-0.2 2,-0.5 0.823 84.3 64.7 -94.7 -35.6 15.1 24.6 -26.1 5 8 A Y E +A 58 0A 51 82,-0.3 82,-2.3 53,-0.2 2,-0.3 -0.803 59.0 158.6-103.5 122.0 13.4 24.2 -29.5 6 9 A F E -AB 57 86A 3 51,-2.6 51,-2.6 -2,-0.5 2,-0.3 -0.839 20.9-159.9-130.7 168.6 15.1 24.2 -32.9 7 10 A T E +AB 56 85A 4 78,-2.5 78,-1.8 -2,-0.3 2,-0.3 -0.978 16.8 159.1-141.7 156.0 14.7 23.1 -36.4 8 11 A F E -AB 55 84A 0 47,-1.1 47,-2.8 -2,-0.3 2,-0.4 -0.935 36.3-100.7-158.5 175.6 17.2 22.6 -39.2 9 12 A L E -A 54 0A 20 74,-0.6 2,-0.5 -2,-0.3 45,-0.2 -0.906 19.5-155.7-113.7 138.7 17.4 20.7 -42.5 10 13 A L E -A 53 0A 0 43,-2.2 43,-2.1 -2,-0.4 71,-0.2 -0.951 11.5-149.1-107.0 129.0 19.2 17.5 -43.2 11 14 A Y > - 0 0 71 69,-1.1 3,-1.6 -2,-0.5 41,-0.2 -0.883 7.0-145.9-102.9 124.1 20.3 16.8 -46.8 12 15 A P G > S+ 0 0 50 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.745 96.2 58.2 -59.7 -27.9 20.4 13.1 -47.9 13 16 A E G 3 S+ 0 0 131 38,-0.3 67,-0.1 1,-0.2 39,-0.0 0.678 112.9 38.9 -79.5 -15.8 23.4 13.5 -50.2 14 17 A S G < S+ 0 0 28 -3,-1.6 -1,-0.2 66,-0.1 65,-0.2 -0.085 102.2 79.7-126.4 34.5 25.6 14.8 -47.3 15 18 A I S < S- 0 0 17 -3,-0.8 62,-0.1 -5,-0.1 4,-0.1 -0.992 82.6-105.6-138.7 140.3 24.4 12.6 -44.4 16 19 A P > - 0 0 48 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.088 30.1-110.3 -57.3 169.3 25.6 8.9 -43.8 17 20 A S T 3 S+ 0 0 125 1,-0.2 3,-0.4 2,-0.1 4,-0.1 0.778 120.1 50.6 -76.1 -27.9 23.3 6.0 -44.4 18 21 A D T 3> S+ 0 0 55 1,-0.2 4,-2.5 2,-0.1 3,-0.5 0.072 73.9 120.8 -91.6 21.9 22.9 5.3 -40.7 19 22 A W H <> S+ 0 0 23 -3,-1.0 4,-2.4 1,-0.2 5,-0.3 0.909 70.7 55.3 -52.9 -45.7 22.0 9.0 -40.1 20 23 A E H > S+ 0 0 77 -3,-0.4 4,-0.8 1,-0.3 -1,-0.2 0.854 111.6 42.6 -60.7 -37.3 18.6 8.0 -38.6 21 24 A L H > S+ 0 0 43 -3,-0.5 4,-0.9 2,-0.2 -1,-0.3 0.857 111.9 57.0 -74.8 -33.0 20.3 5.7 -36.0 22 25 A K H >X S+ 0 0 70 -4,-2.5 4,-0.8 1,-0.2 3,-0.6 0.884 102.5 51.6 -69.0 -38.0 23.0 8.3 -35.4 23 26 A L H 3< S+ 0 0 0 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.833 101.3 65.7 -65.8 -31.0 20.5 11.1 -34.4 24 27 A E H >< S+ 0 0 40 -4,-0.8 3,-1.3 -5,-0.3 -1,-0.2 0.870 93.6 59.3 -56.1 -38.5 19.1 8.6 -32.0 25 28 A T H << S+ 0 0 13 -4,-0.9 -1,-0.2 -3,-0.6 268,-0.2 0.888 82.2 78.9 -63.6 -36.9 22.3 8.6 -30.0 26 29 A L T 3< S- 0 0 8 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.717 94.2-137.2 -47.4 -20.0 22.2 12.4 -29.2 27 30 A G < + 0 0 28 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.1 0.230 66.3 119.8 84.2 -14.1 19.7 11.4 -26.6 28 31 A V S S- 0 0 11 -5,-0.3 -1,-0.3 1,-0.1 2,-0.3 -0.614 70.4-115.1 -86.1 141.4 17.6 14.3 -27.6 29 32 A P + 0 0 0 0, 0.0 29,-1.9 0, 0.0 2,-0.3 -0.596 41.1 177.6 -78.0 135.5 14.1 13.7 -28.8 30 33 A M E -CD 57 120A 0 90,-1.5 90,-2.5 -2,-0.3 2,-0.4 -0.948 25.6-150.5-134.5 155.9 13.5 14.7 -32.4 31 34 A A E -CD 56 119A 0 25,-2.2 25,-2.8 -2,-0.3 2,-0.5 -0.998 18.9-161.3-122.1 132.0 10.8 14.6 -35.0 32 35 A I E -CD 55 118A 0 86,-3.0 86,-2.6 -2,-0.4 23,-0.2 -0.965 14.9-124.9-121.9 129.4 11.9 14.2 -38.5 33 36 A S - 0 0 0 21,-2.8 65,-0.1 -2,-0.5 2,-0.1 0.004 33.1 -92.5 -63.6 167.0 9.7 15.1 -41.5 34 37 A P S S- 0 0 2 0, 0.0 2,-0.6 0, 0.0 20,-0.3 -0.451 70.7 -68.3 -68.9 161.8 8.8 12.8 -44.4 35 38 A L - 0 0 57 1,-0.1 2,-2.0 18,-0.1 3,-0.3 -0.399 49.5-146.8 -64.2 108.2 11.3 13.2 -47.2 36 39 A H B +E 52 0B 0 16,-1.7 16,-1.7 -2,-0.6 3,-0.2 -0.512 51.0 132.3 -75.2 76.6 10.5 16.7 -48.5 37 40 A D + 0 0 63 -2,-2.0 -1,-0.2 14,-0.2 16,-0.1 0.673 59.4 61.4 -99.6 -21.2 11.3 16.1 -52.2 38 41 A K + 0 0 99 -3,-0.3 2,-0.6 72,-0.1 72,-0.2 -0.016 66.0 140.5-104.1 35.9 8.3 17.6 -53.8 39 42 A D - 0 0 9 10,-0.3 10,-2.4 -3,-0.2 2,-0.1 -0.606 58.8-119.5 -74.0 117.5 8.7 21.1 -52.7 40 43 A K B -F 48 0C 167 -2,-0.6 2,-0.4 8,-0.2 8,-0.2 -0.374 33.2-145.6 -58.4 126.3 7.8 23.6 -55.4 41 44 A S - 0 0 13 6,-1.8 -1,-0.1 5,-0.2 -3,-0.0 -0.787 12.8-150.0 -97.3 140.8 11.1 25.6 -56.0 42 45 A S + 0 0 111 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.293 65.8 107.8 -93.5 9.3 11.1 29.3 -56.9 43 46 A I S S- 0 0 104 3,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.638 85.4 -94.9 -77.6 144.2 14.4 29.1 -58.9 44 47 A K S S- 0 0 201 -2,-0.3 2,-1.8 1,-0.2 -1,-0.1 -0.379 95.0 -2.3 -69.6 141.4 13.6 29.3 -62.6 45 48 A G S S+ 0 0 77 1,-0.1 -1,-0.2 -2,-0.1 -2,-0.0 -0.472 101.2 104.5 87.1 -66.8 13.2 26.2 -64.7 46 49 A Q - 0 0 104 -2,-1.8 -5,-0.2 1,-0.1 -3,-0.2 -0.226 59.0-152.3 -54.9 133.7 13.9 23.7 -62.0 47 50 A K + 0 0 143 1,-0.1 -6,-1.8 -7,-0.1 2,-0.3 0.943 66.8 22.6 -80.4 -58.6 10.8 21.9 -60.7 48 51 A Y B S-F 40 0C 85 -8,-0.2 -8,-0.2 -6,-0.0 -1,-0.1 -0.846 83.3-102.7-115.0 153.2 11.3 20.8 -57.1 49 52 A K - 0 0 95 -10,-2.4 -10,-0.3 -2,-0.3 3,-0.2 -0.426 60.0 -74.2 -66.8 145.0 13.8 22.1 -54.4 50 53 A K - 0 0 116 1,-0.1 2,-0.3 -2,-0.1 -1,-0.2 -0.001 68.5 -91.2 -32.4 144.1 16.8 20.0 -53.7 51 54 A A + 0 0 42 -3,-0.1 -38,-0.3 -13,-0.1 2,-0.2 -0.544 64.1 161.1 -77.4 128.4 15.6 17.0 -51.7 52 55 A H B -E 36 0B 8 -16,-1.7 -16,-1.7 -2,-0.3 2,-0.3 -0.860 35.7-130.6-143.6 172.0 15.7 17.5 -48.0 53 56 A Y E -A 10 0A 29 -43,-2.1 -43,-2.2 -2,-0.2 2,-0.5 -0.955 18.9-141.4-123.3 144.4 14.5 16.6 -44.4 54 57 A H E -A 9 0A 18 -2,-0.3 -21,-2.8 -20,-0.3 2,-0.4 -0.905 18.1-158.5-106.3 134.2 13.2 18.9 -41.8 55 58 A V E -AC 8 32A 0 -47,-2.8 -47,-1.1 -2,-0.5 2,-0.6 -0.943 13.9-160.4-120.0 137.9 14.1 18.2 -38.2 56 59 A L E -AC 7 31A 0 -25,-2.8 -25,-2.2 -2,-0.4 2,-0.6 -0.956 21.2-177.3-114.3 113.5 12.5 19.3 -35.0 57 60 A Y E -AC 6 30A 4 -51,-2.6 -51,-2.6 -2,-0.6 2,-0.6 -0.965 11.5-167.4-124.6 115.7 15.1 19.0 -32.3 58 61 A I E -A 5 0A 1 -29,-1.9 -53,-0.2 -2,-0.6 -54,-0.1 -0.899 17.0-142.6-111.2 108.1 14.2 19.8 -28.7 59 62 A A E - 0 0 4 -55,-2.4 4,-0.0 -2,-0.6 9,-0.0 -0.246 15.7-125.0 -66.5 152.6 17.3 20.1 -26.4 60 63 A K E S+ 0 0 71 273,-0.1 274,-0.5 274,-0.1 -1,-0.1 0.956 94.1 17.1 -57.8 -53.5 17.3 18.8 -22.8 61 64 A N E S- 0 0 90 -58,-0.1 2,-0.4 272,-0.1 -58,-0.2 -0.767 104.3 -73.4-118.9 162.1 18.3 22.2 -21.5 62 65 A P E + 0 0 77 0, 0.0 2,-0.2 0, 0.0 -58,-0.2 -0.388 67.0 163.5 -55.6 110.0 18.3 25.9 -22.8 63 66 A V E -A 3 0A 36 -60,-1.8 -60,-2.7 -2,-0.4 2,-0.1 -0.778 32.7 -95.5-127.4 175.5 21.2 25.9 -25.3 64 67 A T E > -A 2 0A 44 -2,-0.2 4,-1.1 -62,-0.2 3,-0.2 -0.381 28.6-110.1 -95.2 165.6 22.4 28.1 -28.2 65 68 A A H > S+ 0 0 36 -64,-0.8 4,-2.1 1,-0.2 3,-0.5 0.936 118.2 44.7 -56.8 -45.3 21.9 28.1 -32.0 66 69 A D H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.732 100.1 64.5 -76.3 -25.6 25.6 27.1 -32.5 67 70 A S H > S+ 0 0 54 -3,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.816 111.5 42.1 -67.8 -26.5 25.9 24.4 -29.8 68 71 A V H X S+ 0 0 0 -4,-1.1 4,-2.6 -3,-0.5 3,-0.5 0.947 108.3 56.5 -77.5 -57.3 23.4 22.6 -31.9 69 72 A R H X S+ 0 0 76 -4,-2.1 4,-1.2 1,-0.3 -2,-0.2 0.819 116.3 37.4 -47.8 -36.9 24.9 23.4 -35.3 70 73 A K H X S+ 0 0 102 -4,-2.1 4,-2.1 2,-0.2 -1,-0.3 0.752 109.0 60.7 -89.5 -26.5 28.2 21.9 -34.3 71 74 A K H < S+ 0 0 76 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.900 112.2 42.0 -63.6 -36.1 26.8 19.0 -32.3 72 75 A I H >X S+ 0 0 0 -4,-2.6 3,-1.2 2,-0.1 4,-0.9 0.825 111.2 53.9 -81.6 -32.1 25.2 17.9 -35.5 73 76 A K H >X S+ 0 0 51 -4,-1.2 4,-3.3 -5,-0.4 3,-1.8 0.993 107.9 49.9 -63.1 -56.4 28.2 18.6 -37.7 74 77 A L H 3< S+ 0 0 106 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.1 0.214 117.4 44.7 -65.7 18.3 30.5 16.5 -35.5 75 78 A L H <4 S+ 0 0 21 -3,-1.2 -1,-0.3 -2,-0.3 -2,-0.2 0.488 129.3 15.1-136.7 -14.4 27.8 13.8 -35.8 76 79 A L H << S- 0 0 10 -3,-1.8 -3,-0.2 -4,-0.9 -2,-0.2 0.369 119.0 -73.2-144.1 -13.2 26.8 13.7 -39.4 77 80 A G >< - 0 0 34 -4,-3.3 3,-1.9 -5,-0.4 4,-0.3 -0.077 42.2 -91.1 117.4 142.1 29.5 15.5 -41.2 78 81 A E T 3 S+ 0 0 158 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.681 121.6 52.9 -58.1 -11.8 30.5 19.2 -41.6 79 82 A K T 3 S+ 0 0 173 -65,-0.2 -1,-0.3 -6,-0.2 -2,-0.1 0.281 78.2 91.7-113.2 9.6 28.3 19.5 -44.7 80 83 A S S < S- 0 0 0 -3,-1.9 -69,-1.1 -8,-0.1 2,-0.2 0.815 100.5 -10.6 -82.7 -37.2 24.8 18.2 -43.5 81 84 A L + 0 0 10 -4,-0.3 -71,-0.1 -71,-0.2 3,-0.1 -0.831 41.7 174.9-135.9-172.2 23.3 21.6 -42.4 82 85 A A S S+ 0 0 70 -2,-0.2 2,-0.7 -73,-0.1 -13,-0.1 0.115 71.2 81.2-159.4 -20.4 24.5 25.2 -41.8 83 86 A M + 0 0 119 -74,-0.2 2,-0.6 -14,-0.0 -74,-0.6 -0.808 48.1 164.7-110.2 89.8 21.0 26.6 -41.1 84 87 A V E -B 8 0A 20 -2,-0.7 2,-0.3 -76,-0.2 -76,-0.2 -0.934 13.9-171.9-107.3 109.6 19.6 26.1 -37.6 85 88 A Q E -B 7 0A 88 -78,-1.8 -78,-2.5 -2,-0.6 2,-0.6 -0.682 26.7-115.6 -94.8 151.4 16.5 28.3 -36.8 86 89 A V E -B 6 0A 73 -2,-0.3 2,-0.3 -80,-0.2 -80,-0.3 -0.816 28.9-130.0 -96.8 126.4 15.1 28.5 -33.3 87 90 A V - 0 0 8 -82,-2.3 -82,-0.3 -2,-0.6 3,-0.2 -0.536 22.8-176.9 -76.7 127.9 11.5 27.2 -33.1 88 91 A L S S+ 0 0 171 -2,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.822 76.2 32.8 -98.3 -32.1 8.9 29.4 -31.5 89 92 A N > - 0 0 87 1,-0.1 4,-2.1 2,-0.0 -1,-0.3 -0.930 65.9-165.4-125.8 104.4 5.7 27.3 -31.5 90 93 A V H > S+ 0 0 8 -2,-0.5 4,-1.3 1,-0.2 -1,-0.1 0.868 88.3 51.6 -65.8 -32.5 6.6 23.6 -31.2 91 94 A E H > S+ 0 0 93 37,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.916 109.5 49.2 -68.4 -44.5 3.1 22.5 -32.3 92 95 A N H > S+ 0 0 40 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.866 109.6 50.8 -59.9 -41.6 3.2 24.6 -35.4 93 96 A M H X S+ 0 0 31 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.821 108.9 53.8 -68.5 -26.2 6.7 23.4 -36.5 94 97 A Y H < S+ 0 0 50 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.2 0.809 108.9 47.4 -77.9 -28.9 5.5 19.8 -36.0 95 98 A L H ><>S+ 0 0 60 -4,-1.4 5,-2.3 1,-0.2 3,-0.8 0.740 105.4 61.4 -78.5 -21.6 2.6 20.5 -38.3 96 99 A Y H ><5S+ 0 0 36 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.767 85.1 75.6 -77.2 -24.8 5.1 22.1 -40.7 97 100 A L T 3<5S+ 0 0 0 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.4 30.3 -52.5 -27.8 6.9 18.8 -41.1 98 101 A T T < 5S- 0 0 3 -3,-0.8 14,-1.7 -4,-0.3 -1,-0.3 0.185 113.6-112.0-117.8 17.9 4.0 17.7 -43.2 99 102 A H T < 5S+ 0 0 0 -3,-1.9 -3,-0.2 12,-0.2 10,-0.2 0.696 85.2 123.5 52.7 25.9 3.1 21.1 -44.6 100 103 A E < + 0 0 50 -5,-2.3 -4,-0.2 -6,-0.1 2,-0.2 0.024 41.1 104.5-102.8 24.7 -0.1 20.8 -42.6 101 104 A S S > S- 0 0 1 -6,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.567 84.6-104.4-102.4 167.1 0.3 24.0 -40.5 102 105 A K H > S+ 0 0 144 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.941 120.3 48.7 -58.7 -51.4 -1.5 27.4 -40.8 103 106 A D H > S+ 0 0 60 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.949 118.6 40.0 -47.9 -53.8 1.6 29.1 -42.5 104 107 A A H 4>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 -2,-0.2 0.802 109.0 58.1 -74.0 -34.1 2.0 26.2 -45.0 105 108 A I H ><5S+ 0 0 103 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 0.885 108.5 46.1 -67.3 -36.8 -1.7 25.6 -45.8 106 109 A A H 3<5S+ 0 0 92 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.677 109.1 55.5 -81.1 -16.1 -2.2 29.1 -46.9 107 110 A K T 3<5S- 0 0 129 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.306 109.7-129.1 -90.3 5.7 1.0 28.9 -49.0 108 111 A K T < 5 + 0 0 196 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.812 41.6 177.9 54.3 36.0 -0.5 25.8 -50.6 109 112 A K < - 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0 0 53 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.878 33.4-168.2 46.3 49.5 -12.1 40.0 10.5 1121 155 F L < - 0 0 14 -5,-0.9 42,-0.2 -6,-0.3 -1,-0.2 -0.606 7.6-156.5 -72.5 122.3 -12.5 37.6 7.5 1122 156 F Q - 0 0 55 -2,-0.5 2,-0.3 41,-0.2 42,-0.2 0.484 59.9 -3.9 -88.1 -9.0 -11.1 34.4 8.6 1123 157 F N S >> S- 0 0 10 40,-0.1 4,-2.3 1,-0.0 3,-0.6 -0.963 82.2 -82.6-178.0 161.4 -10.1 32.7 5.4 1124 158 F I H 3> S+ 0 0 1 -2,-0.3 4,-2.8 1,-0.3 5,-0.1 0.760 124.0 55.1 -55.7 -25.0 -10.2 33.1 1.6 1125 159 F F H 3> S+ 0 0 5 -936,-0.3 4,-2.9 2,-0.2 -1,-0.3 0.946 108.6 46.4 -69.2 -49.0 -13.8 31.7 1.5 1126 160 F D H <> S+ 0 0 38 -3,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.844 114.0 52.5 -60.3 -29.4 -15.0 34.3 3.9 1127 161 F L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.961 110.7 44.5 -67.7 -52.4 -13.0 36.8 1.7 1128 162 F Y H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.950 110.5 53.8 -54.7 -55.8 -14.6 35.7 -1.5 1129 163 F D H X S+ 0 0 55 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.861 110.3 50.3 -45.8 -41.1 -18.1 35.6 0.0 1130 164 F F H X S+ 0 0 22 -4,-1.4 4,-1.6 -5,-0.3 3,-0.4 0.952 111.0 45.9 -66.4 -50.0 -17.4 39.2 1.1 1131 165 F I H X S+ 0 0 4 -4,-2.4 4,-1.5 1,-0.2 5,-0.2 0.867 101.7 68.2 -59.4 -38.2 -16.3 40.3 -2.4 1132 166 F D H < S+ 0 0 92 -4,-3.2 -1,-0.2 -5,-0.2 4,-0.2 0.923 116.0 23.4 -48.9 -48.2 -19.3 38.5 -3.9 1133 167 F E H < S+ 0 0 143 -4,-1.3 3,-0.4 -3,-0.4 -2,-0.2 0.978 136.1 24.4 -80.0 -73.0 -21.5 41.1 -2.3 1134 168 F N H >X S+ 0 0 62 -4,-1.6 4,-0.8 1,-0.2 3,-0.7 0.336 89.8 115.4 -84.1 9.5 -19.8 44.4 -1.5 1135 169 F G H >X> + 0 0 2 -4,-1.5 3,-2.0 -5,-0.4 5,-1.6 0.907 68.4 52.9 -43.9 -62.1 -17.2 43.8 -4.2 1136 170 F E H >45S+ 0 0 166 -3,-0.4 3,-0.7 1,-0.3 -1,-0.3 0.842 96.9 68.6 -51.0 -37.0 -17.9 46.6 -6.5 1137 171 F T H <45S+ 0 0 114 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.830 114.5 27.6 -54.9 -35.2 -17.7 49.2 -3.7 1138 172 F Y H <<5S- 0 0 93 -3,-2.0 -1,-0.3 -4,-0.8 -2,-0.2 0.490 118.9-109.5-101.6 -6.7 -14.0 48.6 -3.4 1139 173 F G T <<5S+ 0 0 45 -4,-1.4 2,-0.3 -3,-0.7 -3,-0.2 0.780 72.1 133.9 83.3 32.3 -13.7 47.6 -7.1 1140 174 F L < - 0 0 6 -5,-1.6 -1,-0.3 -6,-0.2 2,-0.3 -0.815 30.4-177.6-109.3 150.6 -13.0 43.9 -6.6 1141 175 F T > - 0 0 75 -2,-0.3 4,-1.8 1,-0.2 5,-0.2 -0.725 43.4-104.3-121.2-178.7 -14.5 40.8 -8.3 1142 176 F I H >> S+ 0 0 25 -2,-0.3 4,-2.1 1,-0.2 3,-0.7 0.991 122.8 49.2 -68.5 -61.2 -13.6 37.3 -7.5 1143 177 F N H 3> S+ 0 0 48 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.589 111.6 53.0 -55.8 -7.6 -11.5 36.8 -10.6 1144 178 F L H 3> S+ 0 0 35 2,-0.2 4,-1.3 3,-0.1 -1,-0.3 0.858 103.9 50.8 -96.5 -43.9 -9.7 40.0 -9.6 1145 179 F V H XX>S+ 0 0 0 -4,-1.8 4,-3.2 -3,-0.7 3,-1.7 0.979 107.9 58.4 -50.4 -54.5 -8.8 39.2 -6.1 1146 180 F N H 3X5S+ 0 0 4 -4,-2.1 4,-0.9 1,-0.3 -1,-0.2 0.817 108.5 42.4 -43.6 -43.0 -7.4 36.0 -7.6 1147 181 F E H 3<5S+ 0 0 56 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.665 117.2 50.2 -82.0 -17.2 -5.0 38.0 -9.8 1148 182 F V H <<5S+ 0 0 0 -3,-1.7 4,-0.4 -4,-1.3 -2,-0.2 0.935 113.2 39.5 -83.5 -56.5 -4.2 40.3 -6.9 1149 183 F I H ><5S+ 0 0 2 -4,-3.2 3,-0.6 -5,-0.1 7,-0.2 0.716 86.9 119.8 -71.3 -16.1 -3.4 38.0 -4.2 1150 184 F A T 3< S+ 0 0 58 1,-0.1 3,-0.6 3,-0.0 -1,-0.2 -0.195 115.8 76.7 79.7 -50.5 2.1 35.4 -5.5 1152 186 F K T <> + 0 0 45 -2,-1.5 4,-1.8 -3,-0.6 -2,-0.2 0.160 59.5 122.2 -72.2 24.9 1.5 37.2 -2.3 1153 187 F T H >> + 0 0 27 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.946 66.9 58.4 -58.9 -49.0 -0.1 34.0 -1.0 1154 188 F G H <> S+ 0 0 26 -3,-0.6 4,-1.1 1,-0.3 3,-0.3 0.903 104.2 49.0 -35.7 -68.7 2.4 33.9 1.9 1155 189 F F H 3> S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 3,-0.4 0.822 106.6 60.6 -42.2 -41.3 1.3 37.2 3.1 1156 190 F M H XX S+ 0 0 0 -4,-1.8 4,-2.8 -3,-0.7 3,-0.8 0.975 96.1 56.3 -56.6 -56.3 -2.3 36.0 2.9 1157 191 F K H 3X S+ 0 0 68 -4,-1.8 4,-0.6 -3,-0.3 -1,-0.2 0.816 106.0 54.1 -47.2 -31.9 -1.9 33.2 5.3 1158 192 F L H 3X S+ 0 0 9 -4,-1.1 4,-2.2 -3,-0.4 3,-0.5 0.912 109.8 46.1 -68.0 -42.8 -0.6 35.8 7.9 1159 193 F L H X S+ 0 0 94 -4,-1.1 4,-1.5 1,-0.2 3,-0.6 0.985 115.4 38.6 -57.5 -63.7 -8.6 33.6 12.9 1165 199 F Q H 3< S+ 0 0 50 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.647 113.7 60.0 -65.5 -9.2 -6.8 34.0 16.2 1166 200 F R H >< S+ 0 0 46 -4,-2.1 3,-1.2 -3,-0.4 4,-0.3 0.907 106.3 44.0 -81.1 -43.6 -8.4 37.4 16.5 1167 201 F S H X< S+ 0 0 56 -4,-2.3 3,-1.0 -3,-0.6 -2,-0.2 0.719 102.6 67.8 -73.1 -19.9 -11.9 36.2 16.4 1168 202 F K T 3< S+ 0 0 132 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.567 84.9 75.6 -72.2 -8.4 -10.9 33.3 18.8 1169 203 F R T < 0 0 166 -3,-1.2 -1,-0.2 -4,-0.1 -2,-0.2 0.772 360.0 360.0 -75.2 -27.9 -10.4 36.1 21.4 1170 204 F G < 0 0 113 -3,-1.0 -2,-0.1 -4,-0.3 -3,-0.1 0.612 360.0 360.0 -98.1 360.0 -14.2 36.5 22.0