==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 31-OCT-06 2J8Y . COMPND 2 MOLECULE: TLL2115 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR C.EVRARD,J.P.DECLERCQ . 1067 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44681.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 739 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 168 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 46 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 335 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.5 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 0 0 0 0 12 4 8 4 0 0 0 0 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 4 4 0 0 1 7 4 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 . 4 4 0 0 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 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 10 A T 0 0 184 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 -18.7 51.1 11.1 2 11 A L - 0 0 66 1,-0.1 33,-0.1 35,-0.0 3,-0.1 -0.771 360.0-120.7-101.2 133.3 -20.7 48.5 9.1 3 12 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 34,-0.1 -0.102 37.3 -90.4 -66.0 169.0 -24.4 48.8 8.5 4 13 A P - 0 0 107 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.617 48.3 -95.6 -80.8 140.2 -26.9 46.2 9.8 5 14 A E - 0 0 92 -2,-0.3 33,-0.2 -3,-0.1 32,-0.1 -0.287 44.4-175.6 -51.6 130.1 -27.8 43.4 7.4 6 15 A R E -a 38 0A 181 31,-3.0 33,-1.1 -3,-0.1 -1,-0.1 -0.790 17.7-139.6-139.3 90.9 -31.0 44.3 5.6 7 16 A P E -a 39 0A 70 0, 0.0 2,-1.3 0, 0.0 33,-0.2 -0.285 6.3-139.6 -58.4 126.6 -32.4 41.6 3.4 8 17 A L > - 0 0 40 31,-1.8 4,-2.3 1,-0.2 5,-0.2 -0.772 25.6-173.0 -78.4 90.6 -33.9 42.7 0.0 9 18 A T H > S+ 0 0 93 -2,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.838 76.3 48.5 -58.7 -41.7 -36.8 40.3 0.3 10 19 A N H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 113.5 44.8 -71.2 -44.7 -38.2 40.9 -3.2 11 20 A L H > S+ 0 0 19 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.899 113.7 53.0 -63.8 -40.0 -34.8 40.5 -5.1 12 21 A Q H X S+ 0 0 42 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.889 107.7 49.8 -60.6 -41.2 -34.2 37.5 -2.9 13 22 A Q H X S+ 0 0 114 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 110.6 50.1 -65.6 -42.8 -37.5 35.9 -3.9 14 23 A Q H X S+ 0 0 105 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.923 112.7 46.0 -57.0 -50.7 -36.8 36.5 -7.6 15 24 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.920 111.3 53.0 -60.2 -46.8 -33.4 34.9 -7.4 16 25 A Q H X S+ 0 0 87 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 109.7 48.0 -55.1 -46.3 -34.9 32.0 -5.4 17 26 A Q H X S+ 0 0 106 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.842 110.7 53.2 -62.7 -34.9 -37.5 31.4 -8.2 18 27 A L H < S+ 0 0 16 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 113.4 39.9 -70.4 -40.9 -34.7 31.5 -10.8 19 28 A V H >< S+ 0 0 13 -4,-2.2 3,-1.5 1,-0.2 6,-0.2 0.917 112.5 55.2 -75.6 -41.2 -32.5 28.9 -9.2 20 29 A S H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.759 99.8 60.5 -67.5 -25.1 -35.3 26.6 -8.2 21 30 A R T 3< S+ 0 0 173 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.1 0.493 83.6 93.4 -80.9 -1.2 -36.8 26.3 -11.7 22 31 A Q S X S- 0 0 32 -3,-1.5 3,-1.3 -4,-0.1 2,-0.1 -0.812 76.4-135.7 -93.8 110.1 -33.5 24.8 -13.1 23 32 A P T 3 S+ 0 0 82 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.406 83.9 8.2 -64.2 141.1 -33.7 21.0 -13.0 24 33 A N T 3 S+ 0 0 133 1,-0.2 2,-0.4 216,-0.1 -2,-0.0 0.606 100.3 111.6 65.2 15.4 -30.5 19.3 -11.7 25 34 A L < - 0 0 15 -3,-1.3 2,-0.5 -6,-0.2 215,-0.2 -0.965 46.4-167.0-111.3 138.6 -28.8 22.5 -10.6 26 35 A T E -B 239 0A 65 213,-2.0 213,-3.1 -2,-0.4 2,-0.3 -0.953 16.1-172.7-123.4 111.8 -28.3 23.1 -6.8 27 36 A A E -B 238 0A 12 -2,-0.5 2,-0.4 211,-0.2 211,-0.2 -0.789 17.0-178.3-113.4 146.1 -27.2 26.7 -6.1 28 37 A G E +B 237 0A 0 209,-2.7 209,-2.9 -2,-0.3 2,-0.3 -0.999 15.0 170.6-137.2 136.7 -26.1 28.7 -3.0 29 38 A L E -BC 236 42A 0 13,-2.1 13,-1.6 -2,-0.4 15,-0.5 -1.000 17.4-172.5-150.5 148.2 -25.3 32.4 -2.9 30 39 A Y E +BC 235 41A 7 205,-3.1 205,-1.8 -2,-0.3 2,-0.3 -0.979 8.6 173.2-143.2 124.5 -24.5 35.3 -0.5 31 40 A F E -BC 234 40A 0 9,-2.1 9,-2.2 -2,-0.4 2,-0.3 -0.989 4.9-175.6-125.9 144.4 -24.2 39.0 -1.3 32 41 A F E -BC 233 39A 10 201,-2.1 201,-2.3 -2,-0.3 2,-0.6 -0.978 17.6-145.0-142.3 125.2 -23.7 41.9 1.2 33 42 A N E > -B 232 0A 0 5,-2.5 4,-2.0 -2,-0.3 199,-0.2 -0.800 7.4-155.0 -88.8 117.4 -23.6 45.7 0.4 34 43 A L T 4 S+ 0 0 15 197,-1.9 198,-0.1 -2,-0.6 -1,-0.1 0.717 90.7 42.2 -67.0 -23.1 -21.2 47.5 2.8 35 44 A D T 4 S+ 0 0 98 196,-0.6 -1,-0.2 -33,-0.1 197,-0.1 0.916 127.1 23.7 -88.8 -48.1 -23.0 50.8 2.4 36 45 A S T 4 S- 0 0 58 2,-0.1 -2,-0.2 -33,-0.1 3,-0.1 0.689 92.9-126.9 -91.9 -22.7 -26.7 50.0 2.6 37 46 A G < + 0 0 0 -4,-2.0 -31,-3.0 1,-0.3 -3,-0.1 0.340 51.0 161.2 83.7 -4.7 -26.6 46.7 4.5 38 47 A A E -a 6 0A 4 -33,-0.2 -5,-2.5 -6,-0.1 2,-0.3 -0.254 17.4-171.7 -50.8 124.8 -28.6 45.1 1.6 39 48 A S E -aC 7 32A 3 -33,-1.1 -31,-1.8 -7,-0.2 2,-0.4 -0.918 21.6-165.8-124.2 150.9 -28.2 41.3 1.8 40 49 A L E + C 0 31A 1 -9,-2.2 -9,-2.1 -2,-0.3 2,-0.3 -0.992 10.6 173.0-130.4 128.4 -29.2 38.3 -0.3 41 50 A N E + C 0 30A 40 -2,-0.4 2,-0.6 -11,-0.2 -11,-0.2 -0.872 8.8 160.8-134.6 96.1 -29.0 34.7 1.1 42 51 A V E S- C 0 29A 6 -13,-1.6 -13,-2.1 -2,-0.3 -2,-0.0 -0.907 91.6 -31.1-112.9 95.9 -30.4 32.0 -1.2 43 52 A G S > S+ 0 0 16 -2,-0.6 3,-1.1 -15,-0.3 -13,-0.1 0.752 94.8 143.9 63.0 27.4 -28.8 28.9 0.3 44 53 A G T 3 + 0 0 0 -15,-0.5 117,-2.8 1,-0.2 118,-0.3 0.678 66.9 53.9 -68.7 -18.9 -25.7 30.9 1.3 45 54 A D T 3 S+ 0 0 85 115,-0.2 -1,-0.2 116,-0.1 2,-0.1 0.559 85.4 107.3 -89.8 -4.5 -25.3 28.9 4.5 46 55 A Q S < S- 0 0 106 -3,-1.1 2,-0.3 1,-0.1 115,-0.2 -0.392 73.0-115.3 -82.5 147.4 -25.2 25.5 2.8 47 56 A V + 0 0 68 112,-0.1 112,-0.2 -2,-0.1 -1,-0.1 -0.672 37.5 179.2 -86.9 133.6 -21.9 23.5 2.4 48 57 A F E -F 158 0B 3 110,-3.0 110,-1.6 -2,-0.3 2,-0.2 -0.901 43.5 -88.2-125.8 156.3 -20.5 22.9 -1.1 49 58 A P E -F 157 0B 27 0, 0.0 108,-0.3 0, 0.0 106,-0.1 -0.520 43.5-145.3 -58.9 130.3 -17.6 21.2 -2.6 50 59 A A > - 0 0 0 106,-3.6 3,-1.4 -2,-0.2 107,-0.2 0.822 24.3-179.1 -71.1 -34.8 -15.2 24.2 -2.5 51 60 A A G > - 0 0 2 105,-0.5 3,-1.4 1,-0.2 -1,-0.1 -0.267 69.1 -26.1 53.7-148.9 -13.3 23.4 -5.7 52 61 A S G > S+ 0 0 15 1,-0.3 3,-1.9 2,-0.1 -1,-0.2 0.549 121.3 87.8 -71.1 -5.0 -10.5 26.0 -6.3 53 62 A T G X S+ 0 0 1 -3,-1.4 3,-1.8 1,-0.3 -1,-0.3 0.780 74.5 73.1 -65.1 -23.2 -12.3 28.7 -4.3 54 63 A I G <> S+ 0 0 0 -3,-1.4 4,-1.7 1,-0.3 -1,-0.3 0.679 78.6 76.2 -61.2 -18.9 -10.5 27.3 -1.3 55 64 A K H <> S+ 0 0 0 -3,-1.9 4,-2.0 1,-0.2 -1,-0.3 0.764 85.4 62.9 -68.0 -22.0 -7.3 28.9 -2.6 56 65 A F H <> S+ 0 0 2 -3,-1.8 4,-1.9 -4,-0.2 -1,-0.2 0.962 104.7 43.6 -68.5 -53.7 -8.6 32.2 -1.4 57 66 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -2,-0.2 0.887 112.8 54.1 -52.2 -41.2 -8.6 31.2 2.3 58 67 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.891 105.2 54.3 -63.9 -38.7 -5.2 29.6 1.7 59 68 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.893 107.3 49.4 -57.2 -47.0 -3.9 32.9 0.4 60 69 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.954 110.7 50.1 -57.8 -49.0 -5.0 34.7 3.5 61 70 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.873 108.8 54.3 -56.3 -40.3 -3.2 32.0 5.7 62 71 A F H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.952 110.5 43.4 -56.3 -55.0 -0.1 32.6 3.5 63 72 A F H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.776 108.5 59.8 -65.3 -28.4 -0.0 36.3 4.1 64 73 A K H X S+ 0 0 36 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.918 106.8 47.0 -61.9 -47.3 -0.8 35.8 7.9 65 74 A A H <>S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 6,-1.0 0.874 111.8 50.3 -59.8 -45.2 2.4 33.7 8.1 66 75 A V H ><5S+ 0 0 26 -4,-1.9 3,-2.1 4,-0.2 -2,-0.2 0.969 109.9 50.3 -55.8 -54.3 4.4 36.4 6.2 67 76 A D H 3<5S+ 0 0 51 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.859 112.2 48.8 -52.6 -40.6 3.0 39.1 8.6 68 77 A E T 3<5S- 0 0 53 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.267 114.8-113.6 -90.1 12.5 4.1 36.9 11.6 69 78 A G T < 5S+ 0 0 64 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.654 88.2 112.9 72.6 13.4 7.6 36.3 10.3 70 79 A R S > - 0 0 75 -2,-1.9 3,-2.3 16,-0.2 4,-1.0 -0.320 34.2-110.4 -68.4 147.1 8.8 17.9 -4.5 81 90 A P G >4 S+ 0 0 79 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.838 118.6 56.5 -40.5 -38.8 7.5 14.9 -6.5 82 91 A D G 34 S+ 0 0 111 1,-0.2 -2,-0.1 3,-0.0 -3,-0.0 0.574 104.3 51.2 -79.3 -7.7 4.7 14.4 -3.8 83 92 A L G <4 S+ 0 0 11 -3,-2.3 36,-0.3 2,-0.0 -1,-0.2 0.629 82.8 110.4-100.7 -14.8 3.4 18.0 -4.2 84 93 A I << - 0 0 57 -4,-1.0 32,-0.0 -3,-0.6 -5,-0.0 -0.431 46.8-178.8 -69.6 126.4 3.0 17.8 -8.0 85 94 A A - 0 0 6 -2,-0.2 31,-0.3 1,-0.1 7,-0.1 -0.911 19.4-126.2-125.4 153.6 -0.6 17.7 -9.1 86 95 A P + 0 0 70 0, 0.0 29,-0.3 0, 0.0 30,-0.1 0.132 70.0 44.4 -78.4-165.6 -2.3 17.5 -12.6 87 96 A E S S+ 0 0 101 28,-0.1 5,-0.1 27,-0.1 27,-0.0 -0.352 101.6 26.6 66.7-136.3 -4.9 19.7 -14.2 88 97 A A S S+ 0 0 29 25,-0.2 27,-2.2 -2,-0.1 28,-0.5 -0.312 89.8 66.2 -69.6 140.3 -4.4 23.6 -14.0 89 98 A G - 0 0 0 25,-0.3 531,-0.2 531,-0.2 20,-0.0 -0.405 59.7-128.6 135.0 160.5 -1.0 25.1 -13.6 90 99 A T S > S+ 0 0 34 -2,-0.1 3,-1.4 2,-0.1 4,-0.3 0.648 93.2 74.2-105.5 -23.4 2.3 25.7 -15.2 91 100 A L G > S+ 0 0 6 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.818 82.3 72.5 -67.2 -27.7 4.7 24.5 -12.4 92 101 A Q G 3 S+ 0 0 44 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.1 0.689 91.3 57.2 -62.1 -20.8 3.9 20.8 -13.2 93 102 A Y G < S+ 0 0 30 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.561 92.1 89.9 -86.8 -10.3 5.9 21.0 -16.5 94 103 A Q S < S- 0 0 108 -3,-1.8 3,-0.1 -4,-0.3 4,-0.0 -0.308 94.4 -75.3 -81.9 164.8 9.1 22.1 -14.7 95 104 A K > - 0 0 170 1,-0.1 3,-1.6 -2,-0.1 -16,-0.2 -0.424 53.6-104.7 -62.3 132.1 11.8 19.7 -13.3 96 105 A P T 3 S+ 0 0 78 0, 0.0 -16,-0.2 0, 0.0 -1,-0.1 -0.308 105.5 21.7 -59.5 142.0 10.9 17.9 -10.0 97 106 A N T 3 S+ 0 0 95 -18,-2.7 -17,-0.2 1,-0.3 2,-0.1 0.554 89.2 136.1 67.3 14.7 12.7 19.3 -6.9 98 107 A S < - 0 0 31 -3,-1.6 -19,-2.9 -19,-0.4 2,-0.3 -0.473 49.2-125.9 -76.5 163.4 13.3 22.6 -8.7 99 108 A Q E -H 78 0C 90 -21,-0.2 2,-0.3 -2,-0.1 -21,-0.2 -0.859 22.6-169.9-126.8 153.8 12.6 25.6 -6.4 100 109 A Y E -H 77 0C 25 -23,-2.3 -23,-3.4 -2,-0.3 2,-0.1 -0.964 35.1 -96.6-141.2 144.8 10.4 28.8 -6.6 101 110 A A E > -H 76 0C 16 -2,-0.3 4,-2.3 -25,-0.2 -25,-0.2 -0.410 37.3-121.6 -62.1 142.3 10.1 32.0 -4.5 102 111 A A H > S+ 0 0 0 -27,-1.6 4,-2.6 -30,-0.2 -28,-0.2 0.904 112.2 49.6 -56.9 -43.8 7.2 31.7 -2.0 103 112 A L H > S+ 0 0 37 -30,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.874 107.9 52.4 -62.2 -43.9 5.5 34.8 -3.4 104 113 A E H > S+ 0 0 92 -31,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.930 112.2 47.3 -53.7 -47.2 5.7 33.5 -7.0 105 114 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.927 112.2 49.0 -60.7 -46.7 4.1 30.2 -5.8 106 115 A A H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.883 111.6 49.7 -61.9 -42.7 1.3 32.1 -3.9 107 116 A E H >X S+ 0 0 57 -4,-2.5 4,-3.0 2,-0.2 3,-0.6 0.899 110.0 50.2 -61.1 -46.5 0.6 34.3 -7.0 108 117 A L H 3X S+ 0 0 30 -4,-2.3 6,-1.5 1,-0.2 4,-1.5 0.901 103.0 61.2 -61.7 -40.0 0.4 31.2 -9.3 109 118 A M H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 4,-0.2 -2,-0.2 0.848 118.1 28.1 -50.1 -40.7 -2.0 29.5 -7.0 110 119 A I H << S+ 0 0 1 -4,-1.0 -2,-0.2 -3,-0.6 101,-0.2 0.904 118.1 50.2 -91.6 -50.6 -4.4 32.3 -7.4 111 120 A T H < S+ 0 0 18 -4,-3.0 81,-2.2 1,-0.2 82,-0.3 0.845 132.7 12.1 -65.4 -40.0 -3.9 33.9 -10.9 112 121 A I S < S- 0 0 20 -4,-1.5 -1,-0.2 -5,-0.3 -3,-0.1 0.289 102.4-116.3-120.7 7.7 -4.0 30.7 -12.9 113 122 A S - 0 0 18 -5,-0.5 2,-0.4 -6,-0.2 -4,-0.2 0.871 39.7-167.7 55.8 46.6 -5.3 28.3 -10.2 114 123 A D > - 0 0 0 -6,-1.5 4,-2.0 1,-0.2 -25,-0.3 -0.492 12.2-163.2 -70.1 112.8 -2.1 26.2 -10.2 115 124 A N H > S+ 0 0 4 -27,-2.2 4,-2.3 -2,-0.4 34,-0.3 0.863 89.2 51.6 -73.3 -33.8 -2.9 23.0 -8.2 116 125 A T H > S+ 0 0 0 -28,-0.5 4,-2.3 -31,-0.3 5,-0.2 0.977 110.1 48.5 -62.6 -55.8 0.8 22.2 -7.7 117 126 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.893 111.3 53.2 -44.9 -46.9 1.6 25.7 -6.4 118 127 A T H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.927 107.5 47.9 -59.1 -49.3 -1.4 25.3 -4.0 119 128 A N H X S+ 0 0 14 -4,-2.3 4,-1.8 -36,-0.3 -1,-0.2 0.808 109.8 55.0 -65.7 -30.2 -0.2 21.9 -2.6 120 129 A M H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.939 110.5 44.7 -64.2 -46.7 3.2 23.5 -2.0 121 130 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 6,-0.3 0.955 111.2 52.6 -61.4 -46.5 1.6 26.4 -0.0 122 131 A I H <>S+ 0 0 16 -4,-2.7 5,-2.6 1,-0.3 -1,-0.2 0.923 114.3 44.2 -57.8 -42.3 -0.6 24.0 2.0 123 132 A D H ><5S+ 0 0 68 -4,-1.8 3,-1.3 -5,-0.2 -1,-0.3 0.885 111.6 51.8 -63.1 -47.2 2.5 22.0 2.9 124 133 A R H 3<5S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.876 106.4 55.5 -61.7 -38.3 4.6 25.1 3.7 125 134 A L T 3<5S- 0 0 7 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.393 130.3 -88.5 -79.5 4.9 1.9 26.4 6.0 126 135 A G T < 5S- 0 0 48 -3,-1.3 4,-0.4 -5,-0.2 -3,-0.2 0.467 71.4 -82.8 106.3 2.3 1.9 23.2 8.2 127 136 A G >< - 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0 0 12 -5,-0.3 2,-0.5 -6,-0.2 -4,-0.3 0.877 39.4-166.1 59.7 43.5 -3.2 32.5 24.4 380 123 B D > - 0 0 0 -6,-2.4 4,-1.9 1,-0.2 -25,-0.3 -0.431 10.2-162.2 -64.3 110.3 -1.6 36.0 23.8 381 124 B N H > S+ 0 0 5 -27,-2.1 4,-2.0 -2,-0.5 34,-0.3 0.865 90.0 50.1 -66.6 -36.6 1.9 35.8 25.4 382 125 B T H > S+ 0 0 0 -28,-0.4 4,-2.5 -31,-0.3 5,-0.2 0.952 109.4 52.0 -61.6 -49.1 2.3 39.6 25.6 383 126 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.902 108.9 52.7 -52.9 -41.5 -1.1 39.9 27.2 384 127 B T H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.896 108.9 46.4 -64.7 -47.0 0.1 37.2 29.7 385 128 B N H X S+ 0 0 17 -4,-2.0 4,-2.5 -36,-0.2 -1,-0.2 0.855 109.8 55.6 -63.8 -33.8 3.3 39.1 30.7 386 129 B M H X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.924 111.4 44.7 -66.5 -38.7 1.2 42.4 31.0 387 130 B I H X S+ 0 0 1 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.917 112.0 50.1 -70.1 -45.8 -1.1 40.6 33.5 388 131 B I H <>S+ 0 0 16 -4,-2.5 5,-2.7 2,-0.2 -2,-0.2 0.934 113.4 47.8 -55.6 -47.9 1.8 39.0 35.5 389 132 B D H ><5S+ 0 0 68 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.912 111.3 49.9 -56.8 -45.2 3.5 42.5 35.7 390 133 B R H 3<5S+ 0 0 81 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.798 107.0 55.6 -68.6 -32.1 0.3 44.2 36.8 391 134 B L T 3<5S- 0 0 17 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.380 129.1 -92.3 -83.4 5.7 -0.3 41.6 39.5 392 135 B G T < 5S- 0 0 58 -3,-1.5 4,-0.5 -4,-0.2 -3,-0.2 0.526 71.0 -79.0 95.5 11.1 3.2 42.2 41.1 393 136 B G >< - 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