==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-NOV-12 4HUQ . COMPND 2 MOLECULE: ENERGY-COUPLING FACTOR TRANSPORTER ATP-BINDING PR . SOURCE 2 ORGANISM_SCIENTIFIC: LACTOBACILLUS BREVIS; . AUTHOR P.ZHANG,K.XU,M.ZHANG,Q.ZHAO,F.YU . 968 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 724 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 5.8 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 . 6 0.6 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 . 2 0.2 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 . 60 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 402 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.9 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 3 6 2 4 0 1 2 5 5 1 2 0 3 1 4 0 0 0 0 0 1 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 3 5 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 3 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 2 A A 0 0 46 0, 0.0 65,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 165.4 3.4 -36.6 2.9 2 3 A I E +AB 29 65A 3 27,-2.1 27,-2.4 63,-0.2 2,-0.4 -0.980 360.0 178.8-117.9 133.6 3.6 -37.1 6.7 3 4 A A E -AB 28 64A 17 61,-1.8 61,-2.1 -2,-0.4 2,-0.6 -0.987 15.1-155.3-134.9 117.1 6.1 -39.3 8.3 4 5 A F E - B 0 63A 7 23,-4.1 2,-0.6 -2,-0.4 23,-0.3 -0.883 11.9-164.2 -90.4 125.6 6.3 -39.8 12.1 5 6 A E E - B 0 62A 77 57,-2.0 57,-2.0 -2,-0.6 21,-0.2 -0.883 64.5 -46.6-114.9 101.0 9.8 -40.9 13.1 6 7 A H E S- 0 0 114 -2,-0.6 18,-0.3 55,-0.2 20,-0.2 0.797 83.5-179.2 48.1 37.0 10.1 -42.3 16.7 7 8 A V E +D 25 0B 0 18,-2.6 18,-4.1 55,-0.2 2,-0.3 -0.459 10.7 169.6 -72.2 130.7 8.0 -39.4 18.0 8 9 A T E - B 0 60A 31 52,-2.5 51,-1.5 16,-0.2 52,-1.2 -0.995 12.8-163.6-139.0 141.0 7.3 -39.3 21.7 9 10 A Y E -D 22 0B 37 13,-1.2 12,-1.6 -2,-0.3 13,-1.5 -0.982 6.0-177.1-125.3 128.9 5.8 -36.4 23.8 10 11 A T E -D 20 0B 25 -2,-0.4 2,-0.3 10,-0.3 10,-0.3 -0.989 26.2-126.1-120.3 135.5 5.8 -35.9 27.5 11 12 A Y E S+D 19 0B 74 8,-3.0 8,-1.1 -2,-0.4 6,-0.1 -0.614 84.0 18.1 -76.6 139.5 4.0 -33.0 29.2 12 13 A Q S > S- 0 0 95 -2,-0.3 3,-1.0 6,-0.2 5,-0.3 0.997 97.6-101.4 60.5 75.0 6.0 -30.8 31.4 13 14 A A T 3 S- 0 0 77 1,-0.2 46,-0.0 -3,-0.2 0, 0.0 0.408 75.3 -40.4 36.5-144.2 9.7 -31.3 30.7 14 15 A G T 3 S+ 0 0 78 2,-0.0 -1,-0.2 4,-0.0 -2,-0.1 -0.286 102.2 117.5-110.1 43.5 11.8 -33.4 33.0 15 16 A T S < S- 0 0 79 -3,-1.0 2,-5.3 2,-0.0 -1,-0.0 -0.861 75.4-123.3-109.4 92.9 9.9 -32.0 36.2 16 17 A P S S+ 0 0 133 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.029 103.4 84.2 -52.8 44.6 8.3 -35.2 37.7 17 18 A M S S+ 0 0 142 -2,-5.3 2,-0.3 -5,-0.3 -4,-0.0 -0.249 80.7 132.4-107.8 30.6 4.8 -33.9 37.6 18 19 A A - 0 0 46 -8,-0.0 2,-0.4 2,-0.0 -6,-0.2 -0.645 39.3-179.3 -99.6 137.9 5.5 -35.3 34.1 19 20 A H E -D 11 0B 132 -8,-1.1 -8,-3.0 -2,-0.3 2,-0.6 -0.996 21.1-138.0-135.8 130.2 3.4 -37.6 32.0 20 21 A T E +D 10 0B 66 -2,-0.4 -10,-0.3 -10,-0.3 3,-0.1 -0.832 18.8 177.6 -95.0 123.1 4.1 -39.0 28.5 21 22 A A E S+ 0 0 11 -12,-1.6 2,-0.3 -2,-0.6 26,-0.2 0.510 73.1 35.4 -97.5 -8.2 1.1 -39.0 26.2 22 23 A L E -D 9 0B 0 -13,-1.5 -13,-1.2 25,-0.1 2,-0.4 -0.984 65.9-171.4-151.8 127.1 2.9 -40.4 23.2 23 24 A T E - 0 0 53 198,-2.0 200,-0.4 -2,-0.3 -15,-0.2 -0.981 64.7 -28.8-135.5 125.6 5.7 -42.9 23.1 24 25 A D E S- 0 0 65 -2,-0.4 2,-0.5 -18,-0.3 -16,-0.2 0.882 74.4-179.5 40.3 64.0 7.8 -43.9 20.1 25 26 A V E +D 7 0B 1 -18,-4.1 -18,-2.6 -20,-0.1 2,-0.4 -0.813 7.9 172.1 -98.1 130.3 5.2 -43.2 17.5 26 27 A S + 0 0 54 -2,-0.5 2,-0.3 -20,-0.2 -21,-0.2 -0.926 13.2 142.2-139.5 109.5 6.3 -43.9 13.9 27 28 A L - 0 0 7 -2,-0.4 -23,-4.1 -23,-0.3 2,-0.4 -0.960 31.4-146.8-144.4 163.3 3.8 -43.8 11.0 28 29 A T E -A 3 0A 89 -2,-0.3 -25,-0.2 -25,-0.3 -2,-0.0 -0.931 6.2-170.9-140.2 118.5 3.6 -42.7 7.4 29 30 A V E -A 2 0A 2 -27,-2.4 -27,-2.1 -2,-0.4 3,-0.1 -0.903 24.0-135.2-103.6 129.3 0.7 -41.2 5.5 30 31 A P > - 0 0 63 0, 0.0 3,-0.8 0, 0.0 -28,-0.0 -0.215 36.6 -72.0 -77.0 167.4 1.1 -40.9 1.7 31 32 A D T 3 S+ 0 0 108 1,-0.3 165,-0.1 -30,-0.1 166,-0.1 -0.338 123.2 17.7 -56.1 141.8 0.3 -38.0 -0.6 32 33 A R T 3 S+ 0 0 146 163,-0.4 -1,-0.3 1,-0.2 165,-0.2 0.866 99.9 159.3 60.3 41.8 -3.5 -37.6 -1.0 33 34 A G < - 0 0 0 -3,-0.8 165,-2.8 162,-0.1 2,-0.3 -0.429 41.0-149.7 -99.4 169.3 -4.1 -39.8 2.1 34 35 A Y E -e 198 0C 3 163,-0.2 180,-2.1 -2,-0.1 179,-1.6 -0.775 17.7-174.0-140.3 89.0 -6.9 -40.3 4.5 35 36 A L E -ef 199 214C 3 163,-2.2 165,-4.0 -2,-0.3 2,-0.6 -0.774 7.2-164.0 -91.1 116.3 -5.7 -41.2 7.9 36 37 A A E -ef 200 215C 0 178,-2.7 180,-2.9 -2,-0.7 2,-0.4 -0.901 8.9-157.2 -90.8 120.3 -8.4 -42.1 10.4 37 38 A I E +ef 201 216C 0 163,-3.2 165,-1.9 -2,-0.6 2,-0.3 -0.882 20.3 174.7-102.8 138.9 -7.0 -42.0 14.0 38 39 A I E +ef 202 217C 2 178,-2.2 180,-2.5 -2,-0.4 2,-0.2 -0.996 15.3 95.0-155.6 127.7 -8.9 -44.1 16.4 39 40 A G - 0 0 5 163,-0.5 4,-0.2 -2,-0.3 180,-0.1 -0.850 67.6 -41.3 160.8 172.3 -8.8 -45.2 20.0 40 41 A H S > S- 0 0 25 202,-0.4 3,-0.7 178,-0.4 5,-0.3 0.027 71.7 -86.6 -55.0 160.8 -9.9 -44.5 23.6 41 42 A T T 3 S+ 0 0 124 1,-0.3 -1,-0.1 2,-0.1 179,-0.1 -0.457 117.6 25.3 -72.2 140.7 -10.0 -41.0 24.9 42 43 A G T 3 S+ 0 0 71 -2,-0.1 -1,-0.3 -3,-0.1 179,-0.2 0.903 83.6 122.0 68.0 40.2 -6.7 -40.0 26.3 43 44 A S S < S- 0 0 0 -3,-0.7 -2,-0.1 177,-0.2 -3,-0.1 0.341 95.1 -91.7-107.8 3.0 -4.8 -42.5 24.1 44 45 A G S > S+ 0 0 7 176,-0.1 4,-2.5 177,-0.1 5,-0.2 0.540 91.4 126.0 98.2 10.5 -2.8 -39.7 22.6 45 46 A K H > S+ 0 0 28 -5,-0.3 4,-1.4 1,-0.2 5,-0.2 0.974 79.9 43.1 -58.7 -56.1 -5.0 -39.0 19.6 46 47 A S H > S+ 0 0 58 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.774 113.6 53.2 -63.0 -24.8 -5.2 -35.3 20.5 47 48 A T H > S+ 0 0 9 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.914 108.3 48.6 -78.1 -42.4 -1.5 -35.3 21.2 48 49 A L H X S+ 0 0 1 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.776 112.7 50.3 -60.1 -29.1 -0.6 -36.8 17.8 49 50 A I H < S+ 0 0 3 -4,-1.4 3,-0.4 1,-0.2 4,-0.3 0.816 104.0 54.6 -90.7 -30.8 -2.8 -34.3 16.1 50 51 A Q H <>S+ 0 0 30 -4,-1.3 6,-1.3 1,-0.2 5,-1.2 0.638 99.7 65.8 -78.6 -15.2 -1.4 -31.2 17.8 51 52 A Q H ><5S+ 0 0 0 -4,-0.8 3,-1.9 4,-0.2 -1,-0.2 0.892 87.0 71.6 -59.7 -42.4 2.0 -32.3 16.5 52 53 A L T 3<5S+ 0 0 3 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.2 0.640 111.7 23.3 -63.6 -21.9 0.9 -31.8 13.0 53 54 A N T 3 5S- 0 0 0 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.113 113.5-109.4-128.4 16.1 0.8 -28.0 13.0 54 55 A A T < 5S+ 0 0 0 -3,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.703 73.8 138.4 62.9 29.4 3.3 -27.7 15.9 55 56 A L S -BC 2 68A 0 3,-1.4 3,-2.3 -2,-0.5 -63,-0.2 -0.917 64.7 -66.0-121.9 103.2 5.5 -33.0 6.7 66 67 A D T 3 S- 0 0 69 -65,-2.2 -1,-0.1 -2,-0.5 -63,-0.0 -0.330 122.0 -7.6 50.8-126.2 6.3 -32.1 3.0 67 68 A E T 3 S+ 0 0 140 -3,-0.1 -1,-0.3 -2,-0.0 2,-0.1 0.746 121.4 94.3 -66.1 -23.5 9.0 -29.4 3.1 68 69 A F E < -C 65 0A 28 -3,-2.3 -3,-1.4 13,-0.1 2,-0.4 -0.402 52.8-171.5 -79.9 146.3 8.6 -29.0 6.9 69 70 A T E -C 64 0A 74 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.999 3.6-164.8-134.9 131.4 10.7 -30.8 9.4 70 71 A I E +C 63 0A 0 -7,-3.9 -7,-3.9 -2,-0.4 -16,-0.0 -0.977 15.3 160.6-124.6 128.8 10.0 -30.7 13.2 71 72 A T > - 0 0 28 -2,-0.4 3,-1.4 -9,-0.2 -9,-0.1 -0.740 56.4 -93.3-130.4 174.7 12.4 -31.8 15.9 72 73 A P T 3 S+ 0 0 48 0, 0.0 -15,-0.1 0, 0.0 -10,-0.1 0.893 126.8 47.5 -59.4 -31.7 12.6 -31.1 19.6 73 74 A E T 3 S+ 0 0 150 2,-0.1 2,-0.1 -3,-0.0 -14,-0.0 0.274 82.1 127.5 -95.6 11.8 14.8 -28.1 18.9 74 75 A T < - 0 0 30 -3,-1.4 2,-0.3 1,-0.1 -4,-0.1 -0.434 59.2-117.6 -74.5 144.1 12.7 -26.6 16.1 75 76 A T > - 0 0 88 -2,-0.1 3,-0.6 1,-0.1 4,-0.3 -0.615 2.3-140.1 -91.2 136.8 11.8 -22.9 16.6 76 77 A N G > S+ 0 0 86 -2,-0.3 3,-2.1 1,-0.2 4,-0.5 0.923 103.7 54.2 -52.8 -50.5 8.3 -21.5 17.0 77 78 A A G > S+ 0 0 56 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.809 106.7 53.2 -56.7 -29.8 9.1 -18.5 14.8 78 79 A A G < S+ 0 0 66 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.467 103.1 59.3 -86.6 -1.6 10.2 -20.8 12.0 79 80 A L G X> + 0 0 4 -3,-2.1 3,-2.2 -4,-0.3 4,-0.8 0.503 65.1 105.1-110.2 -5.6 7.1 -22.8 12.0 80 81 A K T X4 S+ 0 0 87 -3,-0.6 3,-1.6 -4,-0.5 4,-0.3 0.864 80.1 56.0 -41.8 -49.2 4.3 -20.2 11.3 81 82 A P T >> S+ 0 0 61 0, 0.0 4,-1.5 0, 0.0 3,-1.2 0.712 93.0 69.6 -60.8 -23.4 3.9 -21.5 7.6 82 83 A L H <> S+ 0 0 0 -3,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.880 91.5 61.4 -61.3 -35.6 3.2 -24.9 8.9 83 84 A R H << S+ 0 0 20 -3,-1.6 -1,-0.2 -4,-0.8 5,-0.2 0.603 108.0 41.5 -69.2 -13.0 -0.1 -23.6 10.2 84 85 A Q H <4 S+ 0 0 65 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.649 112.1 54.1-101.1 -19.7 -1.3 -22.7 6.7 85 86 A H H < S+ 0 0 3 -4,-1.5 80,-2.8 1,-0.3 79,-2.4 0.792 116.2 43.4 -77.2 -28.8 0.0 -25.9 5.2 86 87 A V E < S-g 165 0C 0 -4,-2.0 2,-0.5 77,-0.2 -1,-0.3 -0.954 76.1-158.3-125.9 113.0 -2.0 -27.8 7.8 87 88 A G E -g 166 0C 0 78,-3.1 80,-3.6 -2,-0.5 2,-0.5 -0.790 7.6-160.6 -91.5 123.0 -5.5 -26.7 8.6 88 89 A M E -g 167 0C 8 -2,-0.5 2,-0.6 806,-0.5 80,-0.2 -0.925 5.7-166.5-108.7 124.1 -6.8 -27.8 12.0 89 90 A V E -g 168 0C 1 78,-2.9 80,-2.1 -2,-0.5 3,-0.1 -0.934 20.3-145.2-109.1 104.4 -10.5 -27.9 12.6 90 91 A F - 0 0 30 -2,-0.6 4,-0.0 78,-0.1 78,-0.0 -0.252 30.6 -83.8 -67.9 152.4 -11.1 -28.3 16.4 91 92 A Q S S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 79,-0.1 -0.317 120.2 7.3 -51.7 131.4 -13.9 -30.3 18.0 92 93 A F S > S- 0 0 52 78,-0.5 3,-1.4 77,-0.2 -1,-0.3 0.974 81.4-175.9 52.0 60.6 -16.9 -27.9 18.0 93 94 A P G > + 0 0 2 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.261 61.4 91.2 -74.8 19.9 -15.0 -25.4 16.0 94 95 A E G > + 0 0 30 1,-0.2 3,-1.2 2,-0.1 -2,-0.1 0.646 68.1 75.9 -87.4 -11.1 -17.9 -23.0 16.3 95 96 A N G < S+ 0 0 64 -3,-1.4 -1,-0.2 1,-0.3 826,-0.1 0.421 84.1 64.3 -84.2 -0.8 -16.4 -21.4 19.4 96 97 A Q G < S+ 0 0 5 -3,-0.6 -1,-0.3 -4,-0.1 2,-0.2 0.262 70.9 113.3-107.1 9.7 -13.8 -19.5 17.5 97 98 A L < + 0 0 5 -3,-1.2 5,-0.1 1,-0.1 3,-0.0 -0.610 24.8 136.8 -81.2 147.6 -16.1 -17.1 15.6 98 99 A F + 0 0 17 -2,-0.2 -1,-0.1 3,-0.1 618,-0.1 0.424 26.9 107.4-163.1 -20.0 -15.8 -13.5 16.6 99 100 A E S S- 0 0 45 1,-0.1 6,-0.1 2,-0.1 7,-0.0 -0.393 75.2-113.7 -79.0 160.9 -15.7 -11.0 13.7 100 101 A E S S+ 0 0 115 41,-0.1 2,-0.3 42,-0.1 43,-0.1 0.744 98.6 33.4 -75.0 -20.0 -18.7 -8.9 13.2 101 102 A T S > S- 0 0 21 40,-0.2 4,-1.3 1,-0.1 40,-0.3 -0.939 78.4-126.3-126.9 157.0 -19.6 -10.5 9.8 102 103 A V H > S+ 0 0 0 38,-2.3 4,-2.0 35,-0.4 5,-0.2 0.847 110.6 57.1 -71.5 -29.8 -19.2 -14.0 8.6 103 104 A R H > S+ 0 0 56 35,-2.3 4,-2.4 37,-0.3 3,-0.5 0.985 109.2 45.2 -60.3 -55.9 -17.3 -12.8 5.5 104 105 A Q H 4 S+ 0 0 68 34,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.760 110.8 54.9 -56.7 -26.9 -14.8 -11.0 7.7 105 106 A D H < S+ 0 0 0 -4,-1.3 4,-0.4 2,-0.2 3,-0.3 0.871 109.8 44.5 -80.6 -35.5 -14.5 -14.0 10.0 106 107 A I H >< S+ 0 0 0 -4,-2.0 3,-0.6 -3,-0.5 -2,-0.2 0.940 110.3 55.6 -69.5 -49.6 -13.6 -16.4 7.2 107 108 A A T 3X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.613 87.5 87.6 -52.9 -19.3 -11.2 -13.9 5.7 108 109 A F H 3> S+ 0 0 26 -4,-0.5 4,-1.6 -3,-0.3 -1,-0.2 0.932 82.8 49.9 -54.5 -60.1 -9.3 -13.8 9.0 109 110 A G H X> S+ 0 0 0 -3,-0.6 4,-1.0 -4,-0.4 3,-1.0 0.922 111.4 47.4 -46.1 -59.4 -6.9 -16.7 8.6 110 111 A P H >4 S+ 0 0 9 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.949 110.3 54.2 -49.0 -49.5 -5.6 -15.6 5.2 111 112 A K H >< S+ 0 0 76 -4,-2.2 3,-1.0 1,-0.3 -2,-0.2 0.831 102.7 59.1 -51.5 -31.6 -5.2 -12.1 6.6 112 113 A N H << S+ 0 0 53 -4,-1.6 -1,-0.3 -3,-1.0 -3,-0.1 0.745 103.9 49.4 -75.8 -23.0 -3.1 -13.6 9.4 113 114 A F T << S- 0 0 64 -3,-1.5 2,-0.5 -4,-1.0 -1,-0.3 -0.303 129.6 -90.6-104.3 43.1 -0.6 -15.0 6.9 114 115 A G S < S+ 0 0 51 -3,-1.0 -1,-0.2 1,-0.2 0, 0.0 -0.768 70.2 149.6 85.1-127.3 -0.2 -11.7 5.1 115 116 A M - 0 0 85 -2,-0.5 -1,-0.2 -3,-0.1 5,-0.1 0.828 55.4 -88.7 64.9 119.5 -2.7 -11.6 2.2 116 117 A A > - 0 0 59 1,-0.1 4,-2.5 3,-0.1 5,-0.2 -0.235 33.6-124.2 -57.2 140.8 -4.3 -8.4 0.9 117 118 A D H > S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.912 108.9 46.6 -53.4 -52.2 -7.5 -7.3 2.7 118 119 A A H > S+ 0 0 70 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 114.1 48.5 -62.3 -34.7 -9.6 -7.1 -0.4 119 120 A D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.874 104.6 57.8 -77.0 -36.6 -8.4 -10.5 -1.7 120 121 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.908 109.0 49.2 -55.1 -44.0 -8.9 -12.2 1.6 121 122 A L H >X S+ 0 0 40 -4,-1.7 4,-2.1 2,-0.2 3,-1.2 0.978 106.2 51.6 -61.1 -62.7 -12.5 -11.2 1.3 122 123 A A H 3X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.3 -1,-0.2 0.820 110.5 52.9 -41.3 -39.1 -13.1 -12.3 -2.2 123 124 A L H 3X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -1,-0.3 0.851 103.9 54.5 -69.3 -37.4 -11.7 -15.7 -1.1 124 125 A A H S+ 0 0 2 -4,-2.2 5,-2.0 -3,-0.2 -1,-0.2 0.821 105.0 45.9 -64.6 -32.6 -18.7 -19.6 1.7 129 130 A T H ><5S+ 0 0 84 -4,-1.0 3,-2.6 -3,-0.5 -2,-0.2 0.954 105.2 55.7 -77.9 -51.1 -20.1 -21.6 -1.2 130 131 A T H 3<5S+ 0 0 49 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.844 110.0 50.1 -54.1 -31.5 -17.8 -24.7 -1.1 131 132 A V T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.567 129.4 -95.4 -87.2 -8.3 -19.0 -25.1 2.5 132 133 A G T < 5S+ 0 0 45 -3,-2.6 2,-0.4 1,-0.2 -3,-0.2 0.785 74.5 127.5 110.5 31.8 -22.7 -24.8 1.6 133 134 A L < - 0 0 18 -5,-2.0 -1,-0.2 -6,-0.1 2,-0.1 -0.928 53.2-122.7-129.6 144.3 -24.0 -21.2 2.0 134 135 A D > - 0 0 108 -2,-0.4 3,-2.2 1,-0.1 4,-0.3 -0.433 36.8-113.6 -66.5 149.5 -25.9 -18.6 0.0 135 136 A Q G > S+ 0 0 118 1,-0.3 3,-0.7 2,-0.2 4,-0.5 0.550 111.1 83.7 -64.4 -3.5 -24.0 -15.2 -0.3 136 137 A S G 3 S+ 0 0 66 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.831 85.4 55.5 -64.4 -32.4 -26.9 -14.0 1.8 137 138 A Y G X S+ 0 0 41 -3,-2.2 3,-0.7 1,-0.2 -35,-0.4 0.636 85.9 85.6 -75.5 -15.8 -24.9 -15.3 4.8 138 139 A A T < S+ 0 0 1 -3,-0.7 -35,-2.3 -4,-0.3 -36,-0.4 0.911 95.6 34.2 -56.2 -49.8 -21.8 -13.2 3.9 139 140 A E T 3 S+ 0 0 150 -4,-0.5 -1,-0.2 -3,-0.4 -2,-0.1 0.455 96.8 103.2 -94.4 1.8 -22.8 -9.9 5.6 140 141 A R S < S- 0 0 74 -3,-0.7 -38,-2.3 -4,-0.3 -37,-0.3 -0.342 80.6-103.4 -69.6 157.1 -24.7 -11.5 8.6 141 142 A S > - 0 0 3 -40,-0.3 3,-2.1 1,-0.1 -40,-0.2 -0.653 25.2-125.7 -77.3 143.0 -23.1 -11.7 12.1 142 143 A P G > S+ 0 0 0 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.806 110.0 62.6 -59.4 -27.4 -21.8 -15.2 12.9 143 144 A F G 3 S+ 0 0 36 1,-0.3 -43,-0.0 -43,-0.1 7,-0.0 0.548 86.9 72.6 -79.2 -2.7 -23.9 -15.0 16.1 144 145 A E G < S+ 0 0 111 -3,-2.1 -1,-0.3 2,-0.0 2,-0.2 0.226 90.8 93.5 -86.1 15.1 -27.1 -14.8 14.0 145 146 A L S < S- 0 0 24 -3,-0.9 5,-0.0 1,-0.1 0, 0.0 -0.669 79.9 -96.4-123.4 160.6 -26.8 -18.4 13.0 146 147 A S > - 0 0 44 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.265 42.2-115.5 -57.2 153.2 -27.6 -22.1 13.6 147 148 A G H > S+ 0 0 40 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.806 122.2 46.6 -62.3 -28.5 -25.0 -24.0 15.6 148 149 A G H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.799 108.4 53.2 -83.7 -32.0 -24.7 -26.0 12.4 149 150 A Q H > S+ 0 0 44 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.837 110.5 48.5 -67.4 -34.5 -24.5 -22.9 10.2 150 151 A M H X S+ 0 0 37 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.964 103.9 60.8 -67.7 -49.5 -21.7 -21.6 12.4 151 152 A R H X S+ 0 0 6 -4,-1.6 4,-2.1 1,-0.3 -2,-0.2 0.841 107.5 44.8 -42.4 -44.7 -20.0 -24.9 12.1 152 153 A R H X S+ 0 0 32 -4,-1.4 4,-3.4 2,-0.2 -1,-0.3 0.917 111.4 52.9 -69.2 -42.6 -19.8 -24.5 8.3 153 154 A V H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.925 111.5 46.1 -60.5 -42.5 -18.6 -20.9 8.7 154 155 A A H X S+ 0 0 1 -4,-3.3 4,-1.1 2,-0.2 3,-0.4 0.940 114.3 47.5 -59.2 -51.6 -15.9 -22.0 11.0 155 156 A I H >X S+ 0 0 1 -4,-2.1 4,-2.6 -5,-0.3 3,-1.1 0.951 107.9 56.3 -55.3 -55.9 -14.9 -24.8 8.7 156 157 A A H 3X S+ 0 0 0 -4,-3.4 4,-1.5 1,-0.2 -1,-0.2 0.830 103.2 56.4 -36.4 -42.2 -15.0 -22.4 5.8 157 158 A G H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.789 109.0 43.9 -75.9 -29.9 -12.4 -20.2 7.6 158 159 A V H X< S+ 0 0 3 -3,-1.1 3,-1.6 -4,-1.1 -2,-0.2 0.866 113.8 51.0 -70.7 -49.3 -9.9 -23.0 8.0 159 160 A L H >< S+ 0 0 10 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.772 99.0 67.8 -59.5 -26.9 -10.5 -24.1 4.3 160 161 A A T 3< S+ 0 0 1 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.719 86.9 66.8 -70.0 -17.9 -9.9 -20.5 3.3 161 162 A M T < S- 0 0 8 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.518 106.0-129.2 -80.8 -1.8 -6.3 -20.8 4.4 162 163 A Q < - 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0 0 16 210,-0.2 3,-2.8 -2,-0.1 4,-0.2 0.690 59.8-160.6 54.1 35.5 -12.2 -25.5 60.8 742 21 T P T >> S+ 0 0 16 0, 0.0 4,-1.6 0, 0.0 3,-1.3 0.495 80.6 60.4 -13.6 -64.6 -11.9 -22.9 57.9 743 22 T R H 3> S+ 0 0 47 1,-0.3 4,-1.1 2,-0.2 5,-0.1 0.619 99.7 60.4 -58.2 -11.9 -14.0 -20.0 59.3 744 23 T A H <> S+ 0 0 9 -3,-2.8 4,-2.9 2,-0.2 -1,-0.3 0.943 105.8 46.4 -69.0 -52.7 -11.7 -19.9 62.2 745 24 T K H <> S+ 0 0 37 -3,-1.3 4,-4.3 -5,-0.3 5,-0.2 0.818 107.3 56.0 -64.0 -36.6 -8.8 -19.1 59.9 746 25 T L H X S+ 0 0 6 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.953 115.3 38.4 -59.1 -52.0 -10.6 -16.4 57.9 747 26 T M H X S+ 0 0 85 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.896 117.9 52.9 -62.1 -39.2 -11.4 -14.5 61.1 748 27 T L H X S+ 0 0 12 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.918 111.1 43.8 -65.3 -43.6 -7.9 -15.5 62.3 749 28 T S H < S+ 0 0 16 -4,-4.3 4,-0.3 1,-0.2 -1,-0.2 0.721 116.2 50.2 -72.7 -18.0 -6.3 -14.1 59.1 750 29 T F H < S+ 0 0 67 -4,-1.2 4,-0.3 -5,-0.2 -2,-0.2 0.682 113.5 43.2 -93.2 -20.2 -8.5 -11.1 59.4 751 30 T C H X S+ 0 0 41 -4,-1.8 4,-0.9 -3,-0.1 3,-0.5 0.679 96.5 77.9 -91.8 -22.3 -7.7 -10.4 63.0 752 31 T Y H X S+ 0 0 4 -4,-1.4 4,-0.9 1,-0.2 3,-0.2 0.781 89.4 55.5 -63.3 -29.0 -4.0 -11.0 62.6 753 32 T I H > S+ 0 0 13 -4,-0.3 4,-1.0 1,-0.2 3,-0.5 0.889 100.6 57.2 -70.8 -39.1 -3.4 -7.6 61.0 754 33 T I H > S+ 0 0 75 -3,-0.5 4,-0.6 -4,-0.3 -1,-0.2 0.746 102.3 56.9 -66.8 -22.1 -5.0 -5.6 63.9 755 34 T V H X S+ 0 0 6 -4,-0.9 4,-1.8 -3,-0.2 -1,-0.2 0.865 97.0 66.0 -72.5 -35.6 -2.5 -7.2 66.3 756 35 T V H < S+ 0 0 0 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.909 110.5 30.2 -54.2 -54.8 0.4 -5.9 64.2 757 36 T F H < S+ 0 0 62 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.525 110.9 66.7 -90.2 -5.0 -0.1 -2.2 64.8 758 37 T L H < S+ 0 0 94 -4,-0.6 2,-0.6 -5,-0.2 -1,-0.2 0.791 89.8 81.2 -71.1 -31.3 -1.5 -2.9 68.3 759 38 T A < + 0 0 0 -4,-1.8 212,-0.1 1,-0.2 211,-0.0 -0.677 50.6 148.3 -76.0 117.7 2.1 -4.1 68.8 760 39 T N + 0 0 138 -2,-0.6 -1,-0.2 210,-0.2 -2,-0.0 0.738 50.5 61.6-115.2 -53.8 4.2 -0.9 69.5 761 40 T N S S- 0 0 117 209,-0.2 -2,-0.0 1,-0.1 209,-0.0 0.579 81.8-112.9 -58.6-150.9 7.0 -2.0 71.9 762 41 T I S > S+ 0 0 135 2,-0.1 4,-0.8 3,-0.1 3,-0.4 0.682 108.7 51.4-123.6 -46.5 9.8 -4.5 71.5 763 42 T W H >> S+ 0 0 227 1,-0.2 4,-1.0 2,-0.2 3,-0.7 0.853 106.3 63.1 -61.7 -31.5 9.1 -7.5 73.8 764 43 T S H 3> S+ 0 0 7 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.874 94.5 59.0 -57.8 -40.8 5.7 -7.4 72.2 765 44 T Y H 3> S+ 0 0 18 -3,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.804 94.8 64.3 -59.9 -32.1 7.3 -8.2 68.9 766 45 T A H XX S+ 0 0 56 -4,-0.8 4,-2.9 -3,-0.7 3,-0.8 0.938 104.3 46.6 -57.4 -49.2 8.7 -11.5 70.3 767 46 T I H 3X>S+ 0 0 34 -4,-1.0 4,-2.0 -3,-0.3 5,-0.5 0.938 106.0 57.0 -54.5 -52.6 5.2 -12.7 70.8 768 47 T L H 3<5S+ 0 0 10 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.636 115.7 39.2 -63.4 -12.1 4.0 -11.7 67.3 769 48 T I H S+ 0 0 26 -4,-2.1 5,-0.6 2,-0.2 -2,-0.2 0.914 117.5 45.2 -56.4 -46.4 4.0 -21.6 60.3 777 56 T L H ><5S+ 0 0 123 -4,-3.8 3,-2.0 1,-0.2 -2,-0.2 0.983 111.8 49.5 -62.0 -57.7 6.0 -24.5 61.8 778 57 T S H 3<5S+ 0 0 45 -4,-2.7 -40,-0.6 1,-0.3 -1,-0.2 0.757 99.0 70.4 -55.3 -26.7 2.9 -26.5 62.9 779 58 T S T 3<5S- 0 0 7 -4,-1.8 -1,-0.3 -5,-0.2 -42,-0.2 0.286 93.1-141.3 -79.8 10.7 1.4 -26.1 59.4 780 59 T K T < 5 + 0 0 100 -3,-2.0 2,-0.5 1,-0.1 -3,-0.1 0.543 53.3 141.3 45.4 11.0 4.1 -28.4 57.9 781 60 T I < - 0 0 12 -5,-0.6 -1,-0.1 1,-0.1 -2,-0.1 -0.754 38.0-156.8 -86.9 126.9 4.2 -26.1 54.9 782 61 T S > - 0 0 64 -2,-0.5 4,-0.6 -3,-0.1 3,-0.2 0.588 22.1 -14.4 -93.7-135.1 7.8 -25.9 53.8 783 62 T L T >4 S- 0 0 138 1,-0.2 3,-1.0 2,-0.1 4,-0.5 0.883 108.0 -6.5 -46.6-116.0 10.6 -24.0 51.9 784 63 T G T 3> S+ 0 0 18 1,-0.3 4,-4.0 2,-0.2 -1,-0.2 0.246 99.6 100.6 -79.5 13.2 10.3 -21.0 49.5 785 64 T F H 3> S+ 0 0 94 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.951 91.8 40.0 -57.4 -48.7 6.6 -21.2 49.4 786 65 T F H > S+ 0 0 115 -4,-0.5 4,-1.3 1,-0.2 3,-0.6 0.907 104.4 54.8 -66.8 -39.8 9.5 -16.8 49.9 788 67 T K H 3< S+ 0 0 143 -4,-4.0 -1,-0.2 1,-0.3 -2,-0.2 0.674 103.6 57.9 -68.1 -14.3 7.5 -17.1 46.7 789 68 T G H 3< S+ 0 0 19 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.814 102.1 54.2 -77.5 -32.6 4.8 -15.1 48.5 790 69 T I H X< S+ 0 0 29 -4,-1.0 3,-2.2 -3,-0.6 4,-0.3 0.849 88.1 83.1 -71.1 -33.9 7.3 -12.3 49.1 791 70 T R G >< S+ 0 0 141 -4,-1.3 3,-1.9 1,-0.3 4,-0.4 0.815 85.5 50.1 -42.0 -57.6 8.2 -11.9 45.4 792 71 T P G 3 S+ 0 0 83 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.597 111.7 50.4 -67.0 -7.5 5.4 -9.6 44.1 793 72 T L G X> S+ 0 0 39 -3,-2.2 4,-2.4 -4,-0.2 3,-0.7 0.327 72.8 99.9-110.1 5.8 5.9 -7.1 47.0 794 73 T L H <>>S+ 0 0 75 -3,-1.9 4,-2.5 -4,-0.3 5,-0.6 0.879 72.1 78.1 -56.7 -40.2 9.6 -6.6 46.7 795 74 T W H 3>5S+ 0 0 119 -4,-0.4 4,-1.4 1,-0.2 -1,-0.3 0.878 108.5 21.4 -9.4 -79.7 8.3 -3.6 44.9 796 75 T L H <>5S+ 0 0 16 -3,-0.7 4,-4.7 2,-0.2 5,-0.2 0.933 113.3 68.4 -73.6 -50.9 7.6 -1.9 48.3 797 76 T I H X5S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.3 5,-0.2 0.820 112.8 32.7 -49.5 -41.3 9.8 -3.9 50.6 798 77 T V H X5S+ 0 0 83 -4,-2.5 4,-2.7 2,-0.2 5,-0.4 0.954 119.7 51.7 -74.7 -51.6 13.0 -2.3 49.1 799 78 T F H XX S+ 0 0 59 -4,-2.7 4,-2.3 1,-0.2 3,-0.9 0.974 111.6 48.1 -62.7 -52.6 15.6 2.2 51.6 803 82 T L H 3< S+ 0 0 37 -4,-1.5 -1,-0.2 -5,-0.4 -2,-0.2 0.619 113.3 49.1 -64.5 -14.6 13.5 5.4 51.8 804 83 T Q H 3< S+ 0 0 28 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.619 107.7 54.1 -98.6 -19.1 13.3 4.9 55.6 805 84 T L H << S+ 0 0 53 -4,-1.2 8,-0.3 -3,-0.9 3,-0.2 0.959 114.4 41.9 -74.0 -60.1 17.0 4.4 55.9 806 85 T L S < S+ 0 0 44 -4,-2.3 6,-0.1 1,-0.2 0, 0.0 -0.478 112.5 41.3 -71.4 158.7 17.7 7.6 54.1 807 86 T F 0 0 131 -2,-0.1 -1,-0.2 4,-0.1 5,-0.1 0.948 360.0 360.0 65.2 54.0 15.4 10.5 55.3 808 87 T S 0 0 63 3,-1.0 4,-0.2 -3,-0.2 -2,-0.1 0.416 360.0 360.0-153.8 360.0 15.4 9.8 59.0 809 ! 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 0.0 810 100 T I 0 0 148 0, 0.0 2,-0.4 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 76.1 20.5 11.8 53.2 811 101 T N - 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