==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JAN-07 2OLK . COMPND 2 MOLECULE: AMINO ACID ABC TRANSPORTER; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR P.F.THABEN,V.ECKEY,F.SCHEFFEL,W.SAENGER,E.SCHNEIDER, . 968 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 721 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 11.9 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 . 12 1.2 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 . 70 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 284 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.2 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 5 6 4 2 3 3 1 4 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 12 4 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 4 0 0 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 0 4 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 L 0 0 111 0, 0.0 2,-0.4 0, 0.0 27,-0.3 0.000 360.0 360.0 360.0 -33.2 10.0 -7.4 10.4 2 0 A Q - 0 0 25 25,-0.2 62,-0.4 1,-0.1 25,-0.3 -0.987 360.0-161.2-130.7 134.0 13.0 -7.9 8.2 3 1 A M S S+ 0 0 6 23,-1.5 60,-3.3 -2,-0.4 2,-0.5 0.844 97.2 33.5 -72.5 -35.9 16.0 -5.7 7.4 4 2 A I E S-AB 26 62A 1 22,-2.2 22,-2.4 58,-0.2 2,-0.5 -0.979 71.9-179.6-126.3 118.2 16.6 -7.7 4.3 5 3 A D E +AB 25 61A 42 56,-2.6 56,-2.6 -2,-0.5 2,-0.5 -0.968 3.9 178.0-120.4 114.1 13.6 -9.2 2.5 6 4 A V E -AB 24 60A 1 18,-3.2 18,-2.3 -2,-0.5 2,-0.5 -0.971 3.2-175.4-121.4 125.4 14.4 -11.3 -0.6 7 5 A H E - B 0 59A 76 52,-2.9 52,-2.6 -2,-0.5 16,-0.2 -0.968 63.5 -29.4-128.7 124.6 11.6 -13.0 -2.6 8 6 A Q E S- 0 0 107 -2,-0.5 2,-0.3 50,-0.2 15,-0.2 0.846 79.2-171.4 43.0 46.2 11.9 -15.4 -5.6 9 7 A L E -A 22 0A 0 13,-2.3 12,-1.5 49,-0.2 13,-1.3 -0.508 6.8-178.1 -71.8 128.4 15.1 -13.7 -6.7 10 8 A K E +AB 20 57A 65 47,-2.4 47,-1.8 -2,-0.3 46,-1.3 -0.985 10.3 178.9-131.5 140.3 16.5 -14.7 -10.1 11 9 A K E +A 19 0A 20 8,-1.9 8,-2.2 -2,-0.4 7,-1.8 -0.958 6.9 174.0-143.6 120.5 19.6 -13.6 -11.9 12 10 A S E -A 17 0A 26 -2,-0.4 2,-0.5 5,-0.3 5,-0.3 -0.895 30.3-145.3-126.0 155.6 20.7 -14.9 -15.3 13 11 A F E > -A 16 0A 95 3,-4.1 3,-1.5 -2,-0.3 2,-1.3 -0.727 69.3 -79.8-116.6 73.6 23.5 -14.0 -17.6 14 12 A G T 3 S+ 0 0 79 -2,-0.5 -1,-0.0 1,-0.3 0, 0.0 -0.507 123.8 7.7 68.4 -95.9 21.6 -14.6 -20.8 15 13 A S T 3 S+ 0 0 121 -2,-1.3 2,-0.5 -3,-0.1 -1,-0.3 0.910 119.8 77.1 -80.2 -47.6 21.9 -18.4 -20.9 16 14 A L E < -A 13 0A 114 -3,-1.5 -3,-4.1 -4,-0.1 2,-0.9 -0.547 65.0-159.9 -71.6 113.3 23.5 -18.9 -17.4 17 15 A E E +A 12 0A 61 -2,-0.5 -5,-0.3 -5,-0.3 3,-0.1 -0.847 14.9 174.2 -96.9 107.7 21.0 -18.6 -14.6 18 16 A V E S+ 0 0 21 -7,-1.8 2,-0.6 -2,-0.9 -6,-0.2 0.906 71.6 38.2 -78.7 -47.3 23.1 -17.9 -11.5 19 17 A L E -A 11 0A 0 -8,-2.2 -8,-1.9 1,-0.1 -1,-0.2 -0.946 66.7-171.0-109.6 119.3 20.3 -17.3 -9.0 20 18 A K E -A 10 0A 63 194,-2.3 -10,-0.2 -2,-0.6 195,-0.1 0.010 68.2 -54.0 -98.8 26.9 17.3 -19.7 -9.6 21 19 A G E - 0 0 18 -12,-1.5 2,-0.4 193,-0.1 195,-0.3 0.788 67.8-175.7 101.3 84.8 14.9 -18.1 -7.2 22 20 A I E -A 9 0A 2 -13,-1.3 -13,-2.3 193,-0.1 2,-0.4 -0.868 10.4-157.2-115.3 147.9 16.0 -17.7 -3.7 23 21 A N E + 0 0 53 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.980 15.8 174.7-124.5 133.7 14.0 -16.4 -0.7 24 22 A V E -A 6 0A 4 -18,-2.3 -18,-3.2 -2,-0.4 2,-0.5 -0.997 17.7-170.8-145.4 138.8 15.6 -14.8 2.3 25 23 A H E +A 5 0A 30 -2,-0.4 2,-0.5 -20,-0.2 -20,-0.2 -0.984 12.7 175.8-127.6 115.7 14.4 -13.1 5.5 26 24 A I E -A 4 0A 0 -22,-2.4 -22,-2.2 -2,-0.5 -23,-1.5 -0.987 19.0-144.2-124.6 123.0 17.1 -11.5 7.7 27 25 A R > - 0 0 4 -2,-0.5 3,-2.0 -25,-0.3 -25,-0.2 -0.417 34.9 -84.2 -84.4 160.1 16.0 -9.6 10.7 28 26 A E T 3 S+ 0 0 113 -27,-0.3 -1,-0.1 1,-0.3 3,-0.1 -0.450 117.8 20.7 -62.4 128.8 17.6 -6.4 12.0 29 27 A G T 3 S+ 0 0 10 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.323 94.0 126.5 95.0 -9.2 20.6 -7.5 14.2 30 28 A E < - 0 0 5 -3,-2.0 161,-2.6 158,-0.1 2,-0.5 -0.518 50.5-145.3 -84.6 155.1 21.0 -11.0 12.8 31 29 A V E -d 191 0B 2 159,-0.2 175,-3.2 -2,-0.2 176,-1.7 -0.985 17.6-167.9-118.5 118.3 24.3 -12.3 11.4 32 30 A V E -de 192 207B 3 159,-3.1 161,-3.4 -2,-0.5 2,-0.4 -0.947 5.4-157.2-113.5 126.9 23.7 -14.6 8.5 33 31 A V E -de 193 208B 0 174,-2.5 176,-3.2 -2,-0.5 2,-0.5 -0.865 5.6-155.4-103.7 135.0 26.6 -16.8 7.2 34 32 A V E +de 194 209B 0 159,-2.6 161,-1.3 -2,-0.4 2,-0.3 -0.945 19.9 166.8-113.0 123.7 26.4 -18.1 3.6 35 33 A I E + e 0 210B 4 174,-2.4 176,-2.6 -2,-0.5 161,-0.1 -0.858 12.9 110.7-129.9 165.4 28.3 -21.2 2.6 36 34 A G - 0 0 1 -2,-0.3 176,-0.2 174,-0.2 4,-0.1 -0.751 59.6 -44.8 149.7 165.3 28.3 -23.6 -0.4 37 35 A P > - 0 0 36 0, 0.0 3,-1.1 0, 0.0 5,-0.3 -0.018 68.5 -88.1 -54.0 157.9 30.0 -25.0 -3.5 38 36 A S T 3 S+ 0 0 118 1,-0.2 175,-0.1 2,-0.1 0, 0.0 -0.399 112.9 30.1 -68.8 148.9 31.8 -22.7 -5.9 39 37 A G T 3 S+ 0 0 78 -3,-0.1 -1,-0.2 173,-0.1 173,-0.1 0.576 81.9 120.2 78.9 11.3 29.6 -21.3 -8.7 40 38 A S S < S- 0 0 2 -3,-1.1 174,-1.2 173,-0.2 172,-0.2 0.547 85.1-108.8 -84.4 -9.5 26.5 -21.3 -6.5 41 39 A G S > S+ 0 0 8 172,-0.1 4,-2.8 170,-0.1 5,-0.2 0.569 74.4 135.7 94.6 9.0 25.8 -17.6 -6.7 42 40 A K H > S+ 0 0 16 -5,-0.3 4,-1.8 1,-0.2 5,-0.1 0.937 78.9 39.8 -54.3 -52.2 26.8 -16.7 -3.2 43 41 A S H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 113.6 52.9 -67.6 -39.8 28.7 -13.6 -4.3 44 42 A T H > S+ 0 0 15 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.919 106.6 56.2 -61.3 -41.2 26.3 -12.6 -7.0 45 43 A F H >X S+ 0 0 0 -4,-2.8 4,-1.4 1,-0.2 3,-1.2 0.948 107.9 46.3 -54.2 -53.3 23.6 -12.7 -4.3 46 44 A L H 3X S+ 0 0 0 -4,-1.8 4,-1.2 1,-0.3 3,-0.4 0.909 108.5 55.6 -57.2 -45.5 25.5 -10.2 -2.1 47 45 A R H 3<>S+ 0 0 73 -4,-2.3 5,-2.7 1,-0.3 6,-1.9 0.680 104.3 55.0 -63.4 -17.5 26.2 -7.9 -5.0 48 46 A C H X<5S+ 0 0 0 -3,-1.2 3,-1.3 -4,-1.0 -1,-0.3 0.837 104.0 53.8 -81.3 -34.9 22.4 -7.8 -5.6 49 47 A L H 3<5S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.757 111.4 46.6 -68.2 -24.1 21.8 -6.7 -2.0 50 48 A N T 3<5S- 0 0 22 -4,-1.2 -1,-0.3 3,-0.0 -2,-0.2 0.172 113.3-115.9-103.4 15.4 24.2 -3.8 -2.6 51 49 A L T < 5S+ 0 0 31 -3,-1.3 -3,-0.2 2,-0.2 -2,-0.1 0.797 86.1 118.5 54.7 29.7 22.8 -2.8 -5.9 52 50 A L S S-BC 4 65A 2 3,-2.9 3,-2.6 -2,-0.5 -58,-0.2 -0.952 75.3 -20.2-113.0 123.1 16.4 -3.4 2.2 63 61 A D T 3 S- 0 0 45 -60,-3.3 -1,-0.2 -2,-0.5 -60,-0.1 0.883 129.9 -50.3 48.6 43.9 15.4 -1.6 5.4 64 62 A G T 3 S+ 0 0 69 -62,-0.4 2,-0.6 -61,-0.2 -1,-0.3 0.464 115.1 118.9 77.5 0.4 11.9 -1.1 4.0 65 63 A I E < -C 62 0A 30 -3,-2.6 -3,-2.9 8,-0.0 -1,-0.2 -0.888 60.2-137.3-104.5 121.2 13.3 0.3 0.7 66 64 A N E > -C 61 0A 38 -2,-0.6 3,-1.3 -5,-0.3 -5,-0.2 -0.503 10.5-135.6 -73.7 141.6 12.4 -1.6 -2.5 67 65 A L T 3 S+ 0 0 3 -7,-2.7 -1,-0.1 1,-0.3 -6,-0.1 0.374 104.8 56.1 -81.1 7.3 15.3 -2.1 -4.9 68 66 A K T 3 S+ 0 0 118 -8,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.021 85.8 107.4-121.7 22.3 13.0 -1.2 -7.8 69 67 A A S < S- 0 0 35 -3,-1.3 5,-0.1 1,-0.2 -4,-0.0 -0.329 87.3 -56.2 -89.0 178.1 11.9 2.2 -6.3 70 68 A K >> - 0 0 162 1,-0.1 3,-2.4 -2,-0.1 4,-1.6 -0.240 52.7-113.6 -58.0 144.7 13.1 5.5 -7.7 71 69 A D H 3> S+ 0 0 115 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.826 115.4 66.4 -46.3 -41.4 16.9 6.0 -7.8 72 70 A T H 34 S+ 0 0 99 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.818 107.2 41.3 -52.7 -33.0 16.6 8.7 -5.2 73 71 A N H X> S+ 0 0 73 -3,-2.4 4,-1.3 2,-0.2 3,-0.6 0.810 108.3 59.8 -83.4 -34.4 15.5 6.0 -2.8 74 72 A L H 3X S+ 0 0 16 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.807 97.4 62.8 -63.4 -29.0 18.1 3.6 -4.1 75 73 A N H 3X S+ 0 0 76 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.841 100.5 50.4 -65.9 -34.0 20.8 6.1 -3.1 76 74 A K H <> S+ 0 0 70 -3,-0.6 4,-2.0 -4,-0.5 -1,-0.2 0.837 109.4 52.1 -73.9 -28.7 19.8 5.7 0.6 77 75 A V H X S+ 0 0 0 -4,-1.3 4,-1.1 2,-0.2 -2,-0.2 0.956 108.8 50.4 -67.6 -47.3 20.1 2.0 0.1 78 76 A R H >< S+ 0 0 113 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.933 113.3 45.5 -53.7 -49.8 23.5 2.4 -1.3 79 77 A E H 3< S+ 0 0 44 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.827 112.7 50.6 -64.3 -33.8 24.5 4.6 1.6 80 78 A E H 3< S+ 0 0 19 -4,-2.0 78,-2.3 77,-0.2 79,-1.8 0.538 99.4 73.1 -83.8 -8.5 23.0 2.3 4.2 81 79 A V E << -f 159 0B 11 -4,-1.1 2,-0.3 -3,-0.8 79,-0.2 -0.938 63.6-166.7-112.1 123.6 24.7 -0.9 3.0 82 80 A G E -f 160 0B 7 77,-3.1 79,-3.8 -2,-0.5 2,-0.3 -0.810 5.4-166.3-107.1 151.5 28.4 -1.5 3.6 83 81 A M E -f 161 0B 20 -2,-0.3 2,-0.4 77,-0.2 79,-0.2 -0.999 13.1-164.2-143.6 142.0 30.5 -4.1 1.9 84 82 A V E -f 162 0B 1 77,-2.4 79,-3.1 -2,-0.3 2,-0.1 -0.991 16.6-156.3-125.4 126.8 33.9 -5.7 2.3 85 83 A F - 0 0 65 -2,-0.4 4,-0.1 77,-0.2 79,-0.1 -0.400 36.9 -95.8 -95.8 174.6 35.5 -7.8 -0.5 86 84 A Q S S- 0 0 84 -2,-0.1 82,-0.4 1,-0.1 2,-0.3 0.871 101.0 -33.1 -56.3 -39.0 38.1 -10.5 -0.4 87 85 A R S S+ 0 0 149 1,-0.1 -2,-0.1 80,-0.1 -1,-0.1 -0.897 109.9 72.3-163.8-174.8 40.7 -7.8 -1.2 88 86 A F + 0 0 169 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.948 55.3 129.7 58.9 51.2 40.9 -4.5 -3.1 89 87 A N + 0 0 27 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 0.625 59.3 62.4-105.6 -19.4 38.8 -2.4 -0.7 90 88 A L S S- 0 0 25 61,-0.0 3,-0.1 46,-0.0 6,-0.1 -0.715 84.2-116.3-109.2 155.8 41.3 0.4 -0.3 91 89 A F > - 0 0 94 -2,-0.3 3,-1.5 4,-0.2 8,-0.1 -0.823 27.1-151.2 -87.3 112.0 42.8 2.9 -2.7 92 90 A P T 3 S+ 0 0 77 0, 0.0 45,-0.4 0, 0.0 -1,-0.2 0.781 91.0 56.2 -56.8 -29.2 46.5 2.0 -2.6 93 91 A H T 3 S+ 0 0 171 42,-0.1 2,-0.3 43,-0.1 42,-0.0 0.088 99.7 76.1 -92.6 26.6 47.6 5.5 -3.4 94 92 A M S < S- 0 0 53 -3,-1.5 5,-0.0 3,-0.0 -3,-0.0 -0.982 82.8-109.2-137.3 145.7 45.8 7.0 -0.4 95 93 A T > - 0 0 16 -2,-0.3 4,-2.0 40,-0.2 40,-0.2 -0.180 34.3-107.2 -69.0 167.1 46.5 7.0 3.4 96 94 A V H > S+ 0 0 1 38,-2.2 4,-1.9 35,-0.5 37,-0.2 0.926 119.6 48.5 -58.6 -48.1 44.3 5.0 5.8 97 95 A L H > S+ 0 0 10 35,-3.0 4,-2.3 1,-0.2 5,-0.2 0.936 113.0 46.4 -59.4 -49.8 42.6 8.1 7.2 98 96 A N H > S+ 0 0 74 34,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.800 108.2 56.7 -65.5 -29.8 41.8 9.5 3.8 99 97 A N H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.921 110.6 45.5 -66.7 -41.6 40.5 6.1 2.6 100 98 A I H < S+ 0 0 1 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.927 116.8 41.4 -69.3 -44.0 38.1 6.1 5.4 101 99 A T H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 5,-0.4 0.680 90.8 89.2 -79.8 -17.9 36.8 9.7 5.1 102 100 A L H X S+ 0 0 56 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.917 94.5 35.4 -44.7 -62.0 36.6 9.8 1.3 103 101 A A H X>S+ 0 0 22 -4,-0.5 4,-3.8 -3,-0.2 5,-1.1 0.909 113.8 55.1 -64.6 -46.5 33.0 8.5 1.0 104 102 A P H >5S+ 0 0 2 0, 0.0 6,-1.9 0, 0.0 4,-0.7 0.944 117.1 38.2 -52.9 -47.3 31.5 10.2 4.1 105 103 A M H <5S+ 0 0 70 -4,-2.3 4,-0.3 4,-0.2 -2,-0.2 0.932 123.4 40.4 -68.2 -47.7 32.7 13.6 2.9 106 104 A K H <5S+ 0 0 153 -4,-2.6 -3,-0.2 -5,-0.4 -1,-0.2 0.880 132.4 21.8 -70.0 -42.1 31.9 13.0 -0.8 107 105 A V H <5S+ 0 0 64 -4,-3.8 -2,-0.2 -5,-0.2 -4,-0.1 0.895 130.5 37.5 -95.3 -51.1 28.6 11.2 -0.4 108 106 A R S < - 0 0 59 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.432 28.7-105.9 -79.2 160.1 32.6 18.1 6.8 112 110 A R H > S+ 0 0 147 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 116.5 49.3 -50.2 -51.9 36.3 17.2 7.1 113 111 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.861 113.4 45.4 -59.4 -40.4 36.5 17.5 10.9 114 112 A K H > S+ 0 0 100 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.902 113.9 50.0 -71.3 -40.3 33.4 15.3 11.6 115 113 A A H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.907 112.8 45.6 -65.0 -43.2 34.6 12.7 9.0 116 114 A E H X S+ 0 0 51 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.869 110.9 52.7 -69.9 -37.5 38.1 12.4 10.5 117 115 A A H X S+ 0 0 49 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.964 113.0 44.3 -61.8 -51.0 36.8 12.2 14.1 118 116 A K H X S+ 0 0 37 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.937 112.7 52.5 -57.9 -46.4 34.5 9.4 13.1 119 117 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.852 109.1 50.2 -58.8 -36.5 37.3 7.7 11.1 120 118 A M H X S+ 0 0 56 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.872 109.3 49.5 -71.1 -37.5 39.7 7.9 14.1 121 119 A E H X S+ 0 0 123 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.910 111.7 50.8 -66.6 -38.8 37.1 6.4 16.5 122 120 A L H X S+ 0 0 9 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.860 105.3 54.5 -67.0 -35.8 36.7 3.6 13.9 123 121 A L H <>S+ 0 0 0 -4,-1.8 5,-2.8 1,-0.2 4,-0.4 0.853 108.4 50.6 -65.9 -31.3 40.4 3.1 13.7 124 122 A D H ><5S+ 0 0 92 -4,-1.5 3,-0.9 3,-0.2 -2,-0.2 0.905 105.9 56.2 -68.6 -41.7 40.3 2.6 17.5 125 123 A K H 3<5S+ 0 0 87 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.876 114.4 37.7 -58.1 -40.1 37.5 0.1 17.0 126 124 A V T 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.409 115.8-114.0 -94.1 2.8 39.6 -2.0 14.7 127 125 A G T < 5S+ 0 0 45 -3,-0.9 -3,-0.2 -4,-0.4 3,-0.1 0.716 85.9 107.8 76.2 25.0 42.8 -1.5 16.6 128 126 A L > < + 0 0 4 -5,-2.8 3,-1.5 -6,-0.2 -4,-0.2 -0.171 24.9 133.0-127.1 41.7 44.8 0.5 14.1 129 127 A K G > S+ 0 0 73 -6,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.924 75.0 53.4 -55.5 -49.2 44.8 4.0 15.5 130 128 A D G 3 S+ 0 0 130 1,-0.3 3,-0.3 -3,-0.1 -1,-0.3 0.510 99.9 64.2 -66.8 -5.0 48.5 4.5 14.9 131 129 A K G X + 0 0 55 -3,-1.5 3,-2.0 1,-0.2 -35,-0.5 0.374 66.1 111.2-100.1 4.6 48.1 3.5 11.2 132 130 A A T < S+ 0 0 3 -3,-1.7 -35,-3.0 1,-0.3 -34,-0.3 0.777 86.0 35.4 -46.9 -37.0 45.9 6.5 10.4 133 131 A H T 3 S+ 0 0 139 -3,-0.3 -1,-0.3 -37,-0.2 -2,-0.1 0.333 96.6 104.9-105.0 7.0 48.6 8.0 8.2 134 132 A A < - 0 0 24 -3,-2.0 -38,-2.2 -39,-0.1 -37,-0.2 -0.336 67.5-123.4 -80.4 165.9 50.1 4.8 6.8 135 133 A Y > - 0 0 103 -40,-0.2 3,-2.9 -39,-0.1 -40,-0.2 -0.801 27.4-107.4-108.1 154.2 49.5 3.6 3.2 136 134 A P G > S+ 0 0 21 0, 0.0 3,-2.0 0, 0.0 8,-0.1 0.812 118.0 65.6 -48.9 -35.8 48.0 0.2 2.3 137 135 A D G 3 S+ 0 0 126 -45,-0.4 -44,-0.0 1,-0.3 7,-0.0 0.634 100.6 52.8 -63.5 -13.2 51.4 -1.0 1.1 138 136 A S G < S+ 0 0 74 -3,-2.9 2,-0.3 -7,-0.1 -1,-0.3 0.213 95.4 84.3-107.2 12.7 52.6 -0.6 4.7 139 137 A L S < S- 0 0 20 -3,-2.0 2,-0.1 -4,-0.1 -8,-0.0 -0.857 78.9-119.6-114.1 150.1 49.8 -2.7 6.3 140 138 A S > - 0 0 41 -2,-0.3 4,-2.3 1,-0.1 3,-0.2 -0.398 38.5-102.2 -77.0 166.5 49.8 -6.5 6.6 141 139 A G H > S+ 0 0 33 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.840 124.6 53.4 -60.2 -31.4 46.9 -8.2 4.8 142 140 A G H > S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.860 110.2 44.8 -71.4 -37.4 45.2 -8.6 8.2 143 141 A Q H > S+ 0 0 39 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.819 110.1 56.6 -75.0 -31.4 45.4 -4.9 9.0 144 142 A A H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.917 106.9 48.0 -66.5 -42.1 44.3 -4.0 5.5 145 143 A Q H X S+ 0 0 12 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.842 111.0 51.8 -67.5 -32.4 41.1 -6.0 5.8 146 144 A R H X S+ 0 0 31 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.895 109.4 48.7 -70.4 -38.7 40.5 -4.4 9.2 147 145 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.896 106.3 58.7 -66.0 -36.2 40.9 -0.9 7.7 148 146 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.888 106.6 48.4 -57.4 -40.4 38.5 -2.1 4.9 149 147 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.925 110.4 48.7 -66.7 -46.7 35.9 -2.7 7.6 150 148 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.884 112.0 51.7 -61.8 -36.5 36.5 0.7 9.3 151 149 A R H < S+ 0 0 54 -4,-2.8 4,-0.4 2,-0.2 3,-0.3 0.939 111.0 45.5 -64.8 -47.4 36.2 2.3 5.8 152 150 A A H >< S+ 0 0 14 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.890 113.8 51.5 -63.1 -37.9 32.9 0.5 5.1 153 151 A L H >< S+ 0 0 9 -4,-2.7 3,-2.8 1,-0.2 -1,-0.2 0.753 87.7 81.2 -70.7 -25.3 31.7 1.5 8.6 154 152 A A T 3< S+ 0 0 2 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.717 85.6 61.0 -55.5 -22.8 32.5 5.2 8.1 155 153 A M T < S- 0 0 26 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.1 0.416 109.5-124.5 -82.7 -1.1 29.2 5.6 6.2 156 154 A E < - 0 0 88 -3,-2.8 -2,-0.1 1,-0.1 -3,-0.1 0.943 42.0-172.0 54.4 53.8 27.3 4.5 9.3 157 155 A P - 0 0 10 0, 0.0 -76,-0.2 0, 0.0 -77,-0.2 -0.306 30.9-143.8 -73.9 158.3 25.5 1.7 7.4 158 156 A K S S+ 0 0 91 -78,-2.3 32,-1.0 1,-0.2 2,-0.3 0.574 88.6 41.4 -95.3 -14.7 22.6 -0.4 8.9 159 157 A I E -fg 81 190B 2 -79,-1.8 -77,-3.1 30,-0.1 2,-0.5 -0.990 66.4-158.2-136.0 142.3 23.9 -3.5 7.1 160 158 A M E -fg 82 191B 0 30,-2.2 32,-2.1 -2,-0.3 2,-0.4 -0.980 7.4-162.4-124.7 122.0 27.4 -4.9 6.5 161 159 A L E -fg 83 192B 1 -79,-3.8 -77,-2.4 -2,-0.5 2,-0.4 -0.836 5.2-170.8-102.3 137.7 28.1 -7.3 3.6 162 160 A F E -fg 84 193B 0 30,-2.4 32,-2.9 -2,-0.4 2,-0.8 -0.977 8.4-164.2-131.5 118.9 31.3 -9.5 3.7 163 161 A D E S- g 0 194B 19 -79,-3.1 32,-0.1 -2,-0.4 30,-0.1 -0.847 78.1 -44.2-106.9 98.3 32.3 -11.5 0.7 164 162 A E S > S- 0 0 19 30,-3.0 3,-1.0 -2,-0.8 4,-0.4 0.895 77.7-178.0 45.8 52.7 35.0 -14.0 1.9 165 163 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.667 76.5 29.1 -52.2 -29.4 36.6 -11.2 3.9 166 164 A T T > S+ 0 0 2 1,-0.1 3,-2.1 2,-0.1 7,-0.1 0.446 91.1 100.5-114.0 -1.8 39.5 -13.3 5.2 167 165 A S T < S+ 0 0 51 -3,-1.0 -1,-0.1 1,-0.3 -3,-0.1 0.723 81.5 51.2 -58.1 -26.3 39.8 -15.8 2.4 168 166 A A T 3 S+ 0 0 55 -4,-0.4 -1,-0.3 -82,-0.4 2,-0.3 0.417 98.2 98.4 -90.9 3.2 42.8 -14.2 0.7 169 167 A L S < S- 0 0 29 -3,-2.1 5,-0.1 1,-0.1 -3,-0.1 -0.653 80.6-109.3 -98.6 149.5 44.6 -14.1 4.1 170 168 A D >> - 0 0 103 -2,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.362 39.3-110.8 -63.7 147.6 47.2 -16.4 5.6 171 169 A P H >> S+ 0 0 59 0, 0.0 3,-1.0 0, 0.0 4,-0.7 0.840 119.7 59.1 -51.9 -34.4 45.7 -18.4 8.5 172 170 A E H 34 S+ 0 0 71 1,-0.2 4,-0.3 2,-0.1 690,-0.1 0.757 107.4 46.3 -67.3 -24.5 47.8 -16.3 10.9 173 171 A M H <> S+ 0 0 41 -3,-1.9 4,-0.6 1,-0.1 -1,-0.2 0.379 94.4 77.8 -98.6 0.4 46.1 -13.2 9.7 174 172 A V H S+ 0 0 48 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.848 112.0 45.6 -62.2 -33.5 42.4 -10.4 13.8 177 175 A V H X S+ 0 0 1 -4,-0.6 4,-2.2 -3,-0.5 -1,-0.2 0.912 113.9 47.8 -74.9 -42.8 39.8 -9.8 11.1 178 176 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.875 107.3 58.3 -63.6 -37.7 37.3 -12.3 12.5 179 177 A S H X S+ 0 0 64 -4,-2.8 4,-1.8 -5,-0.2 -1,-0.2 0.909 108.0 45.6 -58.2 -43.9 37.8 -10.7 16.0 180 178 A V H X S+ 0 0 14 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.916 111.9 51.0 -67.4 -42.0 36.7 -7.3 14.6 181 179 A M H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.854 108.8 52.7 -63.7 -34.2 33.7 -8.9 12.8 182 180 A K H X S+ 0 0 47 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.900 107.7 50.4 -67.2 -41.6 32.7 -10.6 16.0 183 181 A Q H X S+ 0 0 85 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.896 109.8 51.2 -63.5 -38.9 32.9 -7.3 17.9 184 182 A L H <>S+ 0 0 6 -4,-2.2 5,-1.6 1,-0.2 3,-0.4 0.892 109.0 51.2 -65.2 -37.9 30.7 -5.8 15.2 185 183 A A H ><5S+ 0 0 13 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.882 106.5 54.1 -65.4 -39.1 28.2 -8.7 15.6 186 184 A N H 3<5S+ 0 0 84 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.720 101.4 59.7 -68.4 -22.0 28.1 -8.1 19.4 187 185 A E T 3<5S- 0 0 98 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.462 122.8-104.1 -85.5 -2.0 27.2 -4.4 18.8 188 186 A G T < 5 + 0 0 27 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.677 60.5 161.6 91.4 19.6 24.1 -5.5 16.9 189 187 A M < - 0 0 31 -5,-1.6 2,-0.5 -160,-0.1 -1,-0.2 -0.496 43.8-121.1 -75.1 137.6 25.0 -5.0 13.3 190 188 A T E - g 0 159B 2 -32,-1.0 -30,-2.2 -2,-0.2 2,-0.4 -0.707 44.3-174.8 -76.4 123.8 22.9 -6.8 10.7 191 189 A M E -dg 31 160B 0 -161,-2.6 -159,-3.1 -2,-0.5 2,-0.5 -0.975 29.4-167.4-131.4 141.1 25.5 -8.8 8.8 192 190 A V E -dg 32 161B 0 -32,-2.1 -30,-2.4 -2,-0.4 2,-0.5 -0.973 21.6-174.1-123.9 110.6 25.5 -11.1 5.8 193 191 A V E -dg 33 162B 0 -161,-3.4 -159,-2.6 -2,-0.5 2,-0.8 -0.919 19.3-166.0-118.5 113.2 28.8 -13.0 5.6 194 192 A V E +dg 34 163B 0 -32,-2.9 -30,-3.0 -2,-0.5 2,-0.3 -0.835 42.6 136.7 -89.7 112.3 29.9 -15.3 2.8 195 193 A T - 0 0 1 -161,-1.3 -2,-0.0 -2,-0.8 -32,-0.0 -0.979 60.6-141.4-154.8 166.5 32.8 -17.2 4.4 196 194 A H S S+ 0 0 95 -2,-0.3 2,-1.8 -161,-0.1 3,-0.2 0.339 72.0 110.1-108.0 -0.9 34.6 -20.5 4.9 197 195 A E > + 0 0 27 1,-0.2 4,-1.7 2,-0.1 3,-0.0 -0.588 42.0 174.0 -79.1 86.4 35.4 -19.8 8.5 198 196 A M H > S+ 0 0 4 -2,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.836 73.6 56.2 -64.9 -36.3 33.1 -22.3 10.1 199 197 A G H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.915 106.7 51.2 -63.3 -40.7 34.2 -21.8 13.6 200 198 A F H >>S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.6 0.910 108.5 52.7 -60.3 -42.8 33.4 -18.1 13.3 201 199 A A H X5S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.890 106.5 51.9 -60.9 -42.2 29.9 -19.0 12.0 202 200 A R H <5S+ 0 0 40 -4,-2.1 -1,-0.2 619,-0.2 -2,-0.2 0.877 118.6 37.0 -64.2 -37.3 29.2 -21.3 15.0 203 201 A E H <5S+ 0 0 61 -4,-1.8 -2,-0.2 618,-0.2 -1,-0.2 0.905 132.7 20.3 -82.3 -43.2 30.2 -18.5 17.4 204 202 A V H <5S+ 0 0 16 -4,-3.1 -3,-0.2 -5,-0.2 2,-0.2 0.715 98.2 95.0-101.4 -26.5 28.8 -15.4 15.7 205 203 A G << - 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0 0 23 25,-0.2 62,-0.4 1,-0.1 25,-0.3 -0.930 360.0-157.4-122.9 143.1 8.7 -19.4 8.3 246 1 B M S S+ 0 0 3 23,-2.3 60,-2.5 -2,-0.4 2,-0.4 0.757 97.3 31.0 -82.0 -28.1 7.0 -22.0 10.4 247 2 B I E +IJ 269 305C 1 22,-2.1 22,-2.4 58,-0.2 2,-0.5 -0.983 70.0 179.0-135.4 121.6 4.6 -19.3 11.6 248 3 B D E +IJ 268 304C 40 56,-2.3 56,-3.1 -2,-0.4 2,-0.5 -0.971 3.8 177.1-127.0 113.1 3.7 -16.3 9.5 249 4 B V E -IJ 267 303C 1 18,-3.2 18,-2.3 -2,-0.5 2,-0.5 -0.974 5.6-171.0-120.9 127.6 1.3 -13.7 10.9 250 5 B H E - J 0 302C 110 52,-2.7 52,-2.0 -2,-0.5 16,-0.2 -0.962 65.3 -31.6-125.1 120.9 0.4 -10.6 9.1 251 6 B Q E S- 0 0 78 -2,-0.5 2,-0.2 13,-0.3 15,-0.2 0.828 78.0-170.6 44.3 43.3 -1.6 -7.7 10.5 252 7 B L E -I 265 0C 0 13,-2.8 13,-2.4 50,-0.2 12,-1.4 -0.454 6.1-177.4 -68.3 129.2 -3.6 -10.0 12.7 253 8 B K E +IJ 263 300C 53 47,-2.4 46,-0.8 11,-0.2 47,-0.6 -0.974 5.1 178.4-128.2 144.0 -6.5 -8.2 14.4 254 9 B K E -I 262 0C 17 8,-2.4 7,-3.0 -2,-0.4 8,-1.8 -0.966 2.7-176.1-150.7 129.7 -8.9 -9.7 17.0 255 10 B S E -I 260 0C 29 -2,-0.3 2,-0.5 5,-0.3 5,-0.3 -0.878 22.6-150.6-124.8 156.3 -11.9 -8.2 18.9 256 11 B F E > S-I 259 0C 92 3,-3.0 3,-1.4 -2,-0.3 2,-0.7 -0.799 75.4 -63.1-123.5 80.5 -14.2 -9.5 21.5 257 12 B G T 3 S- 0 0 77 -2,-0.5 -2,-0.0 1,-0.3 0, 0.0 -0.662 123.2 -6.0 80.0-115.3 -17.2 -7.4 20.7 258 13 B S T 3 S+ 0 0 128 -2,-0.7 2,-0.7 -3,-0.1 -1,-0.3 0.716 119.7 88.6 -84.2 -24.3 -16.3 -3.8 21.2 259 14 B L E < -I 256 0C 111 -3,-1.4 -3,-3.0 1,-0.0 2,-0.6 -0.674 63.6-157.3 -83.9 112.0 -12.9 -4.6 22.7 260 15 B E E +I 255 0C 66 -2,-0.7 -5,-0.3 -5,-0.3 3,-0.1 -0.792 17.8 171.6 -88.2 122.3 -10.1 -4.9 20.1 261 16 B V E + 0 0 19 -7,-3.0 2,-0.6 -2,-0.6 -6,-0.2 0.852 68.2 40.8 -97.4 -49.3 -7.4 -7.1 21.8 262 17 B L E -I 254 0C 0 -8,-1.8 -8,-2.4 1,-0.1 -1,-0.3 -0.925 67.2-175.3-103.6 120.2 -5.0 -7.7 18.9 263 18 B K E S-I 253 0C 63 194,-2.0 -10,-0.2 -2,-0.6 195,-0.1 0.257 70.3 -34.2-103.5 14.0 -4.5 -4.5 16.9 264 19 B G E - 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0 0 99 -3,-2.1 -3,-0.1 1,-0.1 -2,-0.1 0.956 39.2-167.9 50.6 59.7 4.1 -35.2 17.3 400 155 B P - 0 0 9 0, 0.0 -76,-0.2 0, 0.0 -77,-0.2 -0.284 30.5-139.4 -75.5 162.4 3.4 -31.6 16.6 401 156 B K S S+ 0 0 85 -78,-2.2 32,-0.8 1,-0.2 2,-0.3 0.611 91.1 36.8 -93.2 -17.8 5.5 -29.2 14.5 402 157 B I E -no 324 433D 2 -79,-1.9 -77,-3.3 30,-0.1 2,-0.5 -0.995 65.5-158.8-138.4 141.7 4.9 -26.4 17.0 403 158 B M E -no 325 434D 0 30,-2.3 32,-2.1 -2,-0.3 2,-0.4 -0.982 9.4-164.2-124.8 119.9 4.5 -26.2 20.8 404 159 B L E -no 326 435D 0 -79,-3.1 -77,-2.0 -2,-0.5 2,-0.4 -0.818 3.1-169.4-102.1 142.1 2.7 -23.3 22.4 405 160 B F E -no 327 436D 0 30,-2.4 32,-3.2 -2,-0.4 2,-1.0 -0.961 9.1-162.0-135.9 116.4 3.1 -22.6 26.2 406 161 B D E S- o 0 437D 10 -79,-2.4 32,-0.1 -2,-0.4 30,-0.1 -0.784 74.0 -52.7-101.3 92.8 0.9 -20.1 28.0 407 162 B E S > S- 0 0 26 30,-2.9 3,-0.9 -2,-1.0 4,-0.4 0.883 71.6-179.3 44.6 52.8 2.7 -19.3 31.3 408 163 B P T 3 S+ 0 0 1 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.597 76.6 35.9 -57.9 -15.2 3.1 -23.0 32.2 409 164 B T T 3 S+ 0 0 5 2,-0.1 3,-0.4 1,-0.1 -2,-0.1 0.524 84.7 98.1-116.1 -10.0 4.8 -22.3 35.5 410 165 B S S < S+ 0 0 63 -3,-0.9 -1,-0.1 1,-0.2 -3,-0.1 0.748 90.2 46.0 -51.1 -25.9 3.1 -19.1 36.7 411 166 B A S S+ 0 0 37 -4,-0.4 -1,-0.2 -82,-0.3 -2,-0.1 0.861 93.9 93.8 -87.0 -37.2 0.9 -21.2 38.9 412 167 B L S S- 0 0 28 -3,-0.4 5,-0.1 -4,-0.2 -3,-0.0 -0.025 78.2-109.7 -59.6 155.2 3.4 -23.6 40.5 413 168 B D >> - 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