==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-JUN-07 2Q7T . COMPND 2 MOLECULE: PROTEIN TRAI; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.A.LUJAN,M.R.REDINBO . 532 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 377 70.9 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 . 84 15.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 47 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.1 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 1 2 1 6 2 0 0 0 2 0 0 0 0 4 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 . 2 3 6 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 7 0 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 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 M 0 0 81 0, 0.0 84,-2.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 165.1 20.4 40.2 6.6 2 2 A M E -A 84 0A 3 82,-0.2 2,-0.2 190,-0.2 82,-0.2 -0.946 360.0-163.7-126.9 112.4 17.7 37.9 5.2 3 3 A S E -A 83 0A 50 80,-2.1 80,-2.2 -2,-0.5 2,-0.4 -0.644 8.8-151.0 -90.6 151.5 18.3 34.2 4.6 4 4 A I E +A 82 0A 26 -2,-0.2 2,-0.3 78,-0.2 78,-0.2 -0.987 25.5 148.7-129.1 130.1 16.0 32.1 2.4 5 5 A A E -A 81 0A 55 76,-1.4 76,-3.1 -2,-0.4 2,-0.3 -0.985 44.6-105.3-153.7 154.4 15.2 28.4 2.7 6 6 A Q E -A 80 0A 105 -2,-0.3 2,-0.4 74,-0.2 74,-0.2 -0.634 40.7-110.3 -82.9 138.9 12.3 26.1 2.0 7 7 A V - 0 0 4 72,-2.4 72,-0.4 -2,-0.3 3,-0.1 -0.587 28.9-141.7 -73.3 125.2 10.4 24.8 5.0 8 8 A R - 0 0 203 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.963 61.0 -26.0 -47.3 -88.1 11.2 21.1 5.3 9 9 A S > - 0 0 55 68,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.989 60.3-108.8-140.4 147.5 8.0 19.3 6.4 10 10 A A H > S+ 0 0 15 -2,-0.3 4,-2.1 46,-0.2 46,-0.1 0.809 110.4 41.8 -39.7 -53.8 4.8 20.4 8.3 11 11 A G H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.967 115.5 42.6 -66.9 -59.2 5.4 18.5 11.5 12 12 A S H > S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.823 113.9 57.0 -59.6 -28.8 9.1 19.0 12.2 13 13 A A H X S+ 0 0 6 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.975 104.1 50.5 -64.7 -54.9 8.7 22.6 11.2 14 14 A G H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.912 113.6 46.4 -47.6 -49.2 6.0 23.1 13.8 15 15 A N H < S+ 0 0 88 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.870 112.5 49.9 -63.3 -40.6 8.3 21.6 16.4 16 16 A F H >< S+ 0 0 88 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.973 111.2 45.3 -64.0 -56.4 11.3 23.7 15.4 17 17 A Y H 3< S+ 0 0 10 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 122.5 36.6 -59.7 -32.3 9.7 27.1 15.3 18 18 A T T 3< S+ 0 0 24 -4,-1.5 2,-0.6 -5,-0.3 -1,-0.3 0.296 83.0 128.8-105.6 9.3 7.9 26.7 18.6 19 19 A D X - 0 0 70 -3,-1.2 3,-3.0 -4,-0.4 4,-0.3 -0.549 56.0-143.2 -70.6 113.3 10.7 24.7 20.4 20 20 A K G > S+ 0 0 70 -2,-0.6 3,-1.7 1,-0.3 7,-0.2 0.755 95.8 68.0 -45.4 -35.7 11.3 26.5 23.7 21 21 A D G 3 S+ 0 0 82 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.667 93.1 60.5 -63.9 -15.5 15.0 25.8 23.4 22 22 A N G < S+ 0 0 37 -3,-3.0 124,-2.2 1,-0.2 125,-0.5 0.577 116.6 28.2 -88.9 -9.4 15.2 28.2 20.5 23 23 A Y S <> S+ 0 0 24 -3,-1.7 4,-2.0 -4,-0.3 -1,-0.2 0.000 79.3 121.6-139.8 33.2 14.1 31.2 22.5 24 24 A Y T 4 S+ 0 0 6 -3,-0.4 -2,-0.1 2,-0.2 -3,-0.1 0.909 78.8 46.9 -63.6 -45.3 15.2 30.4 26.0 25 25 A V T 4 S+ 0 0 17 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.908 114.8 45.7 -64.6 -44.4 17.3 33.5 26.4 26 26 A L T 4 S- 0 0 7 1,-0.1 433,-0.4 -4,-0.1 -1,-0.2 0.855 98.1-145.5 -65.7 -33.9 14.6 35.8 25.0 27 27 A G S < S+ 0 0 5 -4,-2.0 2,-0.3 -7,-0.2 -3,-0.1 0.129 73.3 59.6 87.7 -20.6 12.2 34.0 27.2 28 28 A S - 0 0 29 -5,-0.1 427,-0.1 1,-0.1 -2,-0.1 -0.997 63.7-151.3-145.3 148.5 9.6 34.4 24.6 29 29 A M - 0 0 21 -2,-0.3 115,-2.5 -11,-0.1 -1,-0.1 0.732 28.3-155.9 -83.8 -27.2 9.0 33.5 20.9 30 30 A G + 0 0 8 1,-0.2 112,-0.1 113,-0.2 425,-0.1 0.766 26.6 178.8 54.2 27.5 6.8 36.6 20.4 31 31 A E + 0 0 21 113,-0.1 2,-0.3 16,-0.1 112,-0.2 -0.215 7.9 164.1 -63.5 149.0 5.1 34.9 17.6 32 32 A R E -B 142 0A 8 110,-1.2 110,-2.8 14,-0.2 14,-0.2 -0.977 36.7-106.9-157.4 160.4 2.3 36.5 15.6 33 33 A W E +B 141 0A 10 12,-1.4 12,-0.3 -2,-0.3 2,-0.3 -0.577 39.7 174.4 -87.1 157.6 0.4 36.2 12.4 34 34 A A E +B 140 0A 12 106,-2.0 106,-2.4 -2,-0.2 4,-0.2 -0.975 26.7 72.2-157.2 162.5 1.1 38.6 9.6 35 35 A G S >> S- 0 0 15 -2,-0.3 4,-1.4 104,-0.2 3,-0.6 0.084 78.4 -96.5 102.9 143.1 0.1 39.2 6.0 36 36 A R H 3> S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 103,-0.1 0.769 123.6 62.4 -62.9 -25.6 -3.1 40.3 4.4 37 37 A G H 3> S+ 0 0 0 101,-1.9 4,-0.9 1,-0.2 102,-0.3 0.886 101.4 50.9 -67.1 -37.4 -3.9 36.6 3.8 38 38 A A H <>>S+ 0 0 0 100,-1.0 5,-2.5 -3,-0.6 4,-0.5 0.874 106.9 51.7 -67.4 -41.1 -3.9 36.0 7.6 39 39 A E H ><5S+ 0 0 115 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.890 107.6 54.4 -64.3 -35.7 -6.3 38.8 8.3 40 40 A Q H 3<5S+ 0 0 108 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 109.2 47.7 -67.9 -25.9 -8.6 37.3 5.7 41 41 A L H 3<5S- 0 0 23 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.485 117.6-114.0 -92.2 -4.9 -8.5 34.0 7.5 42 42 A G T <<5 + 0 0 58 -3,-0.9 2,-0.7 -4,-0.5 -3,-0.2 0.589 68.6 145.1 82.6 9.9 -9.2 35.7 10.8 43 43 A L < + 0 0 23 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.745 17.6 148.7 -87.0 114.1 -5.7 34.7 12.1 44 44 A Q - 0 0 86 -2,-0.7 2,-0.2 2,-0.2 400,-0.1 -0.986 44.2 -0.8-145.1 153.5 -4.3 37.4 14.3 45 45 A G S S+ 0 0 10 -12,-0.3 -12,-1.4 -2,-0.3 399,-0.1 -0.474 107.5 25.6 74.9-139.1 -2.0 37.7 17.3 46 46 A S S S- 0 0 74 -14,-0.2 2,-0.6 -2,-0.2 -2,-0.2 -0.158 78.0-120.9 -60.1 151.9 -0.5 34.6 18.8 47 47 A V - 0 0 15 95,-0.1 2,-0.4 -16,-0.1 -1,-0.1 -0.858 13.6-143.9-104.2 122.4 0.1 31.5 16.7 48 48 A D > - 0 0 89 -2,-0.6 4,-2.2 1,-0.1 5,-0.2 -0.712 14.4-138.3 -81.5 130.3 -1.6 28.2 17.7 49 49 A K H > S+ 0 0 84 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.859 99.6 50.6 -59.7 -39.5 0.8 25.3 16.9 50 50 A D H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.891 112.3 47.0 -67.8 -38.1 -1.9 23.0 15.5 51 51 A V H > S+ 0 0 41 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.883 112.7 50.0 -68.9 -38.0 -3.3 25.7 13.2 52 52 A F H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.918 112.0 47.6 -64.7 -45.2 0.2 26.6 12.0 53 53 A T H X S+ 0 0 22 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.911 112.0 48.5 -63.6 -45.2 1.0 22.9 11.3 54 54 A R H <>S+ 0 0 89 -4,-2.3 5,-2.9 1,-0.2 3,-0.4 0.864 108.5 55.7 -65.7 -33.2 -2.2 22.3 9.4 55 55 A L H ><5S+ 0 0 2 -4,-1.8 3,-1.6 1,-0.2 -1,-0.2 0.903 104.0 52.9 -63.7 -41.4 -1.5 25.4 7.4 56 56 A L H 3<5S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -46,-0.2 0.704 105.8 55.6 -67.6 -17.6 1.9 24.1 6.4 57 57 A E T 3<5S- 0 0 51 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.484 126.0-103.8 -90.3 -4.9 0.0 21.0 5.2 58 58 A G T < 5S+ 0 0 0 -3,-1.6 8,-3.5 -4,-0.3 2,-0.7 0.580 80.9 130.9 93.1 11.6 -2.2 23.1 3.0 59 59 A R B < -E 65 0B 62 -5,-2.9 -1,-0.2 6,-0.3 6,-0.2 -0.876 39.3-161.9-104.8 113.7 -5.2 23.0 5.3 60 60 A L > - 0 0 3 4,-3.0 3,-2.3 -2,-0.7 111,-0.0 -0.617 30.1-129.3 -94.3 149.9 -6.8 26.3 6.1 61 61 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.710 109.4 75.0 -66.1 -14.4 -9.2 27.2 8.9 62 62 A D T 3 S- 0 0 89 2,-0.1 3,-0.1 1,-0.1 -3,-0.0 0.655 119.4-112.0 -66.4 -21.6 -11.2 28.6 6.0 63 63 A G S < S+ 0 0 66 -3,-2.3 2,-0.1 1,-0.4 -1,-0.1 0.121 78.2 130.9 104.9 -19.0 -12.0 25.0 5.2 64 64 A A - 0 0 28 -5,-0.1 -4,-3.0 2,-0.0 -1,-0.4 -0.407 39.4-164.7 -66.5 142.0 -9.9 25.1 2.0 65 65 A D B +E 59 0B 80 -6,-0.2 -6,-0.3 -3,-0.1 -7,-0.1 -0.969 23.6 171.7-137.6 121.3 -7.5 22.2 1.6 66 66 A L + 0 0 45 -8,-3.5 -7,-0.2 -2,-0.4 -8,-0.1 0.254 39.5 128.2-109.0 10.2 -4.6 22.1 -0.7 67 67 A S - 0 0 25 -9,-0.3 2,-0.4 7,-0.1 -9,-0.1 -0.351 41.7-161.8 -66.4 147.1 -3.0 18.9 0.6 68 68 A R - 0 0 155 -11,-0.1 7,-2.3 2,-0.0 2,-0.5 -0.852 8.6-157.4-133.7 94.4 -2.3 16.2 -2.0 69 69 A M E +F 74 0C 107 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.649 14.7 177.1 -79.8 122.7 -1.8 12.9 -0.3 70 70 A Q E > S-F 73 0C 112 3,-3.3 3,-1.4 -2,-0.5 -2,-0.0 -0.914 74.6 -36.2-127.9 98.1 0.2 10.4 -2.3 71 71 A D T 3 S- 0 0 165 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.924 124.1 -39.9 49.3 60.8 0.6 7.2 -0.3 72 72 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.280 120.7 105.0 79.5 -13.1 1.0 8.7 3.2 73 73 A S E < -F 70 0C 77 -3,-1.4 -3,-3.3 2,-0.0 2,-0.5 -0.878 64.4-140.3-107.0 135.1 3.1 11.6 1.8 74 74 A N E -F 69 0C 53 -2,-0.4 -5,-0.2 -5,-0.2 -7,-0.1 -0.790 10.5-168.4 -91.0 124.0 1.8 15.1 1.3 75 75 A R + 0 0 150 -7,-2.3 2,-0.7 -2,-0.5 -1,-0.1 0.290 53.5 111.0 -97.5 10.8 3.2 16.7 -1.9 76 76 A H S S- 0 0 10 -19,-0.2 -2,-0.1 -8,-0.1 -9,-0.1 -0.765 75.4-124.8 -84.3 117.1 2.0 20.2 -1.0 77 77 A R - 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0 0 61 -2,-0.3 -49,-0.4 -9,-0.2 -9,-0.2 -0.363 52.2 -91.4 -77.0 159.4 -0.2 27.8 -4.1 174 175 A L - 0 0 3 -51,-0.1 -51,-0.3 1,-0.1 -1,-0.1 -0.408 52.5 -87.1 -72.9 149.7 2.5 30.5 -4.5 175 176 A S - 0 0 1 -53,-2.9 10,-0.9 -42,-0.1 9,-0.7 -0.240 38.8-173.7 -60.6 137.1 4.0 31.0 -8.0 176 177 A S + 0 0 49 7,-0.2 2,-0.4 8,-0.1 -1,-0.0 -0.948 12.0 163.5-135.6 110.6 7.0 29.0 -9.1 177 178 A D > + 0 0 12 -2,-0.4 4,-0.8 1,-0.1 6,-0.7 -0.834 5.3 171.8-133.3 95.2 8.6 30.0 -12.4 178 179 A K T 4 S+ 0 0 167 -2,-0.4 -1,-0.1 2,-0.2 0, 0.0 0.914 77.8 43.7 -67.7 -48.3 12.1 28.6 -12.9 179 180 A V T 4 S+ 0 0 136 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 0.976 126.0 26.4 -64.8 -61.8 12.7 29.6 -16.5 180 181 A G T 4 S- 0 0 44 1,-0.0 -1,-0.2 0, 0.0 -2,-0.2 0.562 94.9-135.2 -82.3 -7.1 11.4 33.1 -16.6 181 182 A K < + 0 0 156 -4,-0.8 -3,-0.2 1,-0.1 -2,-0.1 0.876 65.8 129.0 53.7 41.7 12.1 33.7 -13.0 182 183 A T + 0 0 55 -5,-0.3 -1,-0.1 4,-0.1 -4,-0.1 0.388 37.8 112.5-103.1 -0.3 8.7 35.4 -12.6 183 184 A G S > S- 0 0 0 -6,-0.7 4,-2.4 1,-0.1 -7,-0.2 -0.244 79.5-111.7 -71.8 162.8 7.7 33.3 -9.6 184 185 A F H > S+ 0 0 0 -9,-0.7 4,-1.5 -62,-0.2 -8,-0.1 0.949 117.3 43.6 -56.5 -56.2 7.3 34.6 -6.1 185 186 A I H > S+ 0 0 8 -10,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.851 112.4 53.4 -60.8 -38.3 10.3 32.9 -4.6 186 187 A E H > S+ 0 0 28 -11,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.920 108.5 50.0 -64.3 -41.9 12.4 33.8 -7.6 187 188 A N H < S+ 0 0 52 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.805 110.0 51.8 -65.7 -27.3 11.5 37.4 -7.1 188 189 A V H >< S+ 0 0 0 -4,-1.5 3,-1.2 2,-0.2 4,-0.4 0.934 108.0 50.1 -73.7 -47.5 12.5 37.1 -3.5 189 190 A Y H >< S+ 0 0 118 -4,-2.4 3,-1.5 1,-0.3 4,-0.4 0.924 107.6 54.4 -55.1 -47.5 15.9 35.7 -4.3 190 191 A A T 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.655 117.8 36.6 -63.5 -15.4 16.5 38.5 -6.7 191 192 A N T <> S+ 0 0 59 -3,-1.2 4,-2.9 -4,-0.4 5,-0.3 0.253 82.2 113.6-119.3 10.7 15.8 41.0 -4.0 192 193 A Q H <> S+ 0 0 64 -3,-1.5 4,-2.4 -4,-0.4 5,-0.3 0.914 81.7 43.8 -47.9 -55.5 17.3 39.1 -1.1 193 194 A I H > S+ 0 0 96 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.928 114.5 49.9 -57.5 -48.2 20.1 41.7 -0.5 194 195 A A H > S+ 0 0 52 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.881 111.4 48.1 -60.3 -42.3 17.7 44.6 -0.9 195 196 A F H X S+ 0 0 19 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.921 112.5 47.5 -66.1 -44.1 15.2 43.2 1.6 196 197 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.861 113.6 51.3 -63.7 -31.3 17.8 42.4 4.2 197 198 A R H X S+ 0 0 104 -4,-2.1 4,-2.7 -5,-0.3 -2,-0.2 0.929 107.5 51.0 -68.8 -46.4 19.0 46.0 3.4 198 199 A L H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.912 111.3 48.2 -58.9 -45.2 15.5 47.4 4.0 199 200 A Y H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.926 112.5 48.4 -61.1 -46.5 15.2 45.6 7.3 200 201 A R H X S+ 0 0 22 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.879 112.1 48.7 -61.7 -41.5 18.7 46.8 8.4 201 202 A E H X S+ 0 0 79 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.901 111.9 48.7 -66.5 -42.0 18.0 50.4 7.5 202 203 A K H X S+ 0 0 61 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.869 113.1 47.3 -66.6 -38.1 14.6 50.4 9.3 203 204 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.891 108.9 56.4 -69.4 -38.8 16.2 48.9 12.4 204 205 A K H X S+ 0 0 56 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.884 102.3 54.1 -60.3 -42.1 19.0 51.5 12.2 205 206 A E H X S+ 0 0 96 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.927 112.4 44.3 -59.4 -45.2 16.7 54.5 12.2 206 207 A Q H X S+ 0 0 42 -4,-1.3 4,-0.8 2,-0.2 -2,-0.2 0.894 111.6 50.7 -67.2 -44.1 15.0 53.3 15.4 207 208 A V H ><>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-0.5 0.886 111.7 49.3 -63.3 -36.9 18.2 52.3 17.2 208 209 A E H ><5S+ 0 0 93 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.781 105.3 57.3 -72.1 -26.7 19.6 55.8 16.4 209 210 A A H 3<5S+ 0 0 74 -4,-1.2 60,-0.7 1,-0.2 -1,-0.2 0.677 100.8 58.7 -75.9 -16.3 16.4 57.4 17.7 210 211 A L T <<5S- 0 0 20 -4,-0.8 -1,-0.2 -3,-0.5 58,-0.2 0.452 128.8-100.0 -88.6 -3.4 17.1 55.6 21.0 211 212 A G T < 5S+ 0 0 6 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.472 78.3 138.3 99.3 3.8 20.4 57.5 21.2 212 213 A Y < - 0 0 6 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.553 45.9-133.9 -85.8 148.1 22.6 54.6 19.9 213 214 A E - 0 0 96 -2,-0.2 2,-0.3 13,-0.2 -1,-0.0 -0.611 18.5-162.3 -94.6 159.4 25.5 55.1 17.4 214 215 A T - 0 0 29 -2,-0.2 2,-0.3 11,-0.2 11,-0.2 -0.941 4.9-166.8-139.1 158.7 26.0 52.9 14.4 215 216 A E E -I 224 0F 110 9,-1.9 9,-2.1 -2,-0.3 2,-0.5 -0.979 28.4-113.9-151.5 132.2 29.0 52.2 12.2 216 217 A V E +I 223 0F 97 -2,-0.3 7,-0.3 7,-0.2 6,-0.1 -0.571 36.4 167.5 -71.8 119.1 29.3 50.5 8.8 217 218 A V + 0 0 78 5,-1.7 2,-0.3 -2,-0.5 6,-0.2 0.349 61.7 8.9-111.3 0.2 31.4 47.3 9.2 218 219 A G S > S- 0 0 33 4,-1.4 3,-0.6 1,-0.0 2,-0.1 -0.900 89.5 -55.4-160.4-170.9 30.6 45.7 5.9 219 220 A K G > S+ 0 0 163 -2,-0.3 3,-1.3 1,-0.2 -2,-0.1 -0.377 107.9 29.4 -81.1 159.8 29.0 45.9 2.4 220 221 A H G 3 S- 0 0 89 1,-0.3 -1,-0.2 -2,-0.1 0, 0.0 0.762 136.7 -60.9 64.1 26.5 25.4 46.8 1.6 221 222 A G G < S+ 0 0 25 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.573 77.9 174.4 80.7 8.8 25.4 48.9 4.8 222 223 A M < - 0 0 78 -3,-1.3 -5,-1.7 -6,-0.1 -4,-1.4 -0.233 17.6-178.1 -47.2 134.5 26.1 46.1 7.3 223 224 A W E -I 216 0F 5 -7,-0.3 2,-0.3 -6,-0.2 -7,-0.2 -0.937 25.7-166.5-141.3 163.4 26.5 47.9 10.6 224 225 A E E -I 215 0F 38 -9,-2.1 -9,-1.9 -2,-0.3 -136,-0.0 -0.914 37.8-102.4-139.6 161.6 27.3 47.5 14.3 225 226 A M > - 0 0 2 -2,-0.3 3,-1.5 -11,-0.2 -11,-0.2 -0.837 50.7-115.0 -88.6 117.9 26.9 49.7 17.4 226 227 A P T 3 S+ 0 0 31 0, 0.0 -13,-0.2 0, 0.0 -1,-0.0 -0.194 93.4 26.3 -54.8 140.7 30.5 51.0 18.0 227 228 A G T 3 S+ 0 0 61 1,-0.3 33,-0.0 28,-0.0 -2,-0.0 0.113 83.4 124.4 94.9 -22.8 32.1 49.9 21.3 228 229 A V S < S- 0 0 11 -3,-1.5 2,-3.1 1,-0.1 -1,-0.3 -0.616 70.4-118.7 -77.6 128.5 30.2 46.7 21.8 229 230 A P > + 0 0 8 0, 0.0 3,-1.0 0, 0.0 4,-0.5 -0.257 51.7 155.0 -62.9 59.4 32.5 43.7 22.2 230 231 A V G > + 0 0 31 -2,-3.1 3,-1.8 1,-0.2 -2,-0.0 0.864 65.4 70.0 -55.5 -36.2 31.3 41.8 19.2 231 232 A E G > S+ 0 0 141 1,-0.3 3,-1.6 -3,-0.3 -1,-0.2 0.855 88.6 61.0 -49.3 -43.9 34.7 40.0 19.1 232 233 A A G < S+ 0 0 38 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.747 109.4 42.8 -59.4 -24.2 33.9 38.1 22.3 233 234 A F G < S+ 0 0 0 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.3 -0.087 104.6 73.7-115.8 35.5 31.0 36.4 20.6 234 235 A S < 0 0 61 -3,-1.6 0, 0.0 1,-0.1 0, 0.0 -0.985 360.0 360.0-148.1 132.4 32.5 35.7 17.2 235 236 A G 0 0 116 -2,-0.3 -1,-0.1 -3,-0.0 -4,-0.0 0.295 360.0 360.0 141.7 360.0 35.1 33.0 16.2 236 ! 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 0.0 237 268 A V 0 0 176 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -42.7 22.8 21.2 24.8 238 269 A D >> - 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