==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-MAR-07 2P10 . COMPND 2 MOLECULE: MLL9387 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 1609 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1231 76.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 199 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 1.5 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 . 3 0.2 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 . 83 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 186 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 642 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 53 3.3 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 1 5 0 13 11 6 6 12 0 0 7 0 3 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 16 10 14 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 PARALLEL BRIDGES PER LADDER . 6 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 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 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 8 A K 0 0 135 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.6 -0.9 21.3 -6.8 2 9 A R - 0 0 137 1,-0.1 84,-0.0 84,-0.0 0, 0.0 -0.622 360.0 -91.0 -78.1 147.8 0.0 22.7 -3.3 3 10 A P - 0 0 58 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.168 37.9-124.7 -65.3 152.7 -0.5 20.1 -0.5 4 11 A T > - 0 0 61 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.418 27.7-103.8 -87.6 169.7 -3.8 20.0 1.4 5 12 A R H > S+ 0 0 49 150,-0.4 4,-2.3 1,-0.2 5,-0.2 0.927 123.5 50.6 -58.3 -48.4 -4.1 20.3 5.1 6 13 A S H > S+ 0 0 56 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.866 107.5 54.1 -56.1 -41.3 -4.7 16.6 5.4 7 14 A E H > S+ 0 0 104 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.877 108.4 48.6 -65.3 -39.0 -1.7 15.9 3.3 8 15 A L H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 111.5 49.2 -64.7 -43.8 0.6 18.0 5.6 9 16 A V H X S+ 0 0 18 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.923 111.4 49.8 -62.8 -43.8 -0.8 16.2 8.7 10 17 A D H X S+ 0 0 91 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.880 109.2 53.3 -58.5 -39.9 -0.2 12.9 7.0 11 18 A R H X S+ 0 0 81 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.931 112.5 43.1 -61.5 -47.4 3.3 14.1 6.2 12 19 A F H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.883 112.1 52.0 -64.4 -44.5 4.0 14.9 9.9 13 20 A Q H X S+ 0 0 53 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.860 106.1 56.0 -61.4 -38.3 2.4 11.8 11.3 14 21 A K H X S+ 0 0 148 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.908 109.6 45.5 -60.6 -42.5 4.5 9.7 9.0 15 22 A K H <>S+ 0 0 54 -4,-1.4 5,-2.5 2,-0.2 4,-0.3 0.915 111.3 52.4 -67.6 -41.7 7.7 11.3 10.4 16 23 A I H ><5S+ 0 0 44 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.949 107.4 52.1 -60.4 -46.9 6.4 10.9 14.0 17 24 A R H 3<5S+ 0 0 181 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.842 106.8 54.1 -57.5 -32.2 5.8 7.2 13.3 18 25 A A T 3<5S- 0 0 75 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.499 122.0-108.8 -78.3 -2.3 9.4 7.0 12.1 19 26 A G T < 5S+ 0 0 38 -3,-2.1 517,-0.3 -4,-0.3 -3,-0.2 0.662 73.9 139.2 80.7 15.9 10.7 8.5 15.3 20 27 A E < - 0 0 62 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.815 51.9-125.2 -89.1 133.1 11.6 11.8 13.7 21 28 A P - 0 0 6 0, 0.0 2,-0.6 0, 0.0 218,-0.2 -0.408 18.5-121.5 -74.7 150.6 10.8 14.9 15.7 22 29 A I E -a 239 0A 0 216,-2.4 218,-2.0 192,-0.2 2,-0.5 -0.844 29.4-164.1 -90.7 122.2 8.7 17.7 14.1 23 30 A I E -a 240 0A 0 -2,-0.6 19,-2.4 216,-0.2 20,-1.1 -0.957 4.5-169.0-115.0 122.6 10.6 20.9 14.1 24 31 A G E -ab 241 43A 0 216,-3.0 218,-2.7 -2,-0.5 2,-0.4 -0.843 8.0-158.2-107.0 145.5 8.8 24.2 13.5 25 32 A G E -ab 242 44A 0 18,-2.2 20,-2.6 -2,-0.3 2,-0.4 -0.966 15.8-135.9-128.9 142.5 10.6 27.5 12.9 26 33 A G E - b 0 45A 1 216,-2.4 2,-0.4 -2,-0.4 20,-0.2 -0.775 22.7-163.8 -85.0 135.7 10.0 31.2 13.1 27 34 A A E + b 0 46A 1 18,-2.4 20,-0.5 -2,-0.4 24,-0.2 -0.990 19.9 172.1-124.7 127.3 11.2 33.2 10.1 28 35 A G S S+ 0 0 2 -2,-0.4 2,-0.3 22,-0.3 -1,-0.1 0.527 73.4 25.9-106.5 -13.7 11.6 37.0 10.3 29 36 A T S > S- 0 0 10 1,-0.1 4,-1.9 50,-0.0 295,-0.2 -0.924 83.6-108.0-141.3 168.0 13.2 37.4 6.9 30 37 A G H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 294,-0.3 0.864 118.5 55.0 -67.3 -39.0 13.3 35.6 3.6 31 38 A L H > S+ 0 0 1 292,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.890 106.5 52.8 -61.5 -41.6 16.9 34.4 4.2 32 39 A S H > S+ 0 0 0 291,-0.4 4,-2.9 2,-0.2 5,-0.2 0.977 112.0 44.9 -52.1 -55.7 15.8 32.8 7.5 33 40 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -2,-0.2 0.923 114.5 47.7 -57.6 -49.6 12.9 30.9 5.8 34 41 A K H X S+ 0 0 89 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.879 113.6 48.2 -57.5 -40.5 15.1 29.8 3.0 35 42 A S H X S+ 0 0 5 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.874 110.5 51.2 -72.4 -39.9 17.9 28.7 5.4 36 43 A E H ><>S+ 0 0 0 -4,-2.9 5,-2.0 2,-0.2 3,-0.5 0.934 109.7 49.4 -60.1 -46.6 15.3 26.8 7.6 37 44 A E H ><5S+ 0 0 13 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.908 107.4 56.0 -59.5 -38.6 14.0 25.0 4.5 38 45 A A H 3<5S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.794 105.4 52.0 -62.6 -30.7 17.7 24.2 3.7 39 46 A G T <<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.233 121.3-110.7 -87.5 11.6 17.9 22.6 7.1 40 47 A D T < 5 + 0 0 102 -3,-1.9 -3,-0.2 1,-0.2 -17,-0.2 0.770 49.8 179.0 63.2 33.4 14.8 20.5 6.4 41 48 A I < - 0 0 6 -5,-2.0 -17,-0.2 1,-0.1 -1,-0.2 -0.274 28.0-136.7 -57.4 149.5 12.5 22.2 8.9 42 49 A D S S+ 0 0 10 -19,-2.4 2,-0.3 1,-0.3 -18,-0.2 0.813 77.6 1.4 -85.9 -31.8 9.0 20.8 8.9 43 50 A L E -b 24 0A 2 -20,-1.1 -18,-2.2 44,-0.1 2,-0.4 -0.985 59.6-148.2-153.9 157.5 7.1 24.1 9.0 44 51 A I E -bc 25 89A 0 44,-2.2 46,-2.9 -2,-0.3 2,-0.4 -0.981 9.0-166.2-128.3 133.0 7.8 27.9 9.0 45 52 A V E -bc 26 90A 0 -20,-2.6 -18,-2.4 -2,-0.4 2,-0.4 -0.989 7.2-163.9-121.5 134.6 5.7 30.6 10.8 46 53 A I E +bc 27 91A 0 44,-2.1 46,-2.3 -2,-0.4 2,-0.3 -0.946 21.8 136.4-123.2 139.6 6.1 34.3 10.0 47 54 A Y >> - 0 0 9 -20,-0.5 4,-1.5 -2,-0.4 3,-1.3 -0.972 62.8 -76.7-168.4 174.9 4.9 37.3 12.0 48 55 A N H 3> S+ 0 0 1 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.851 120.9 57.0 -53.9 -43.8 5.9 40.8 13.3 49 56 A S H 3> S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.812 105.1 54.7 -61.3 -28.6 8.0 39.6 16.2 50 57 A G H <> S+ 0 0 1 -3,-1.3 4,-2.1 2,-0.2 -22,-0.3 0.954 110.7 44.2 -64.9 -49.8 10.2 37.7 13.7 51 58 A R H X S+ 0 0 70 -4,-1.5 4,-0.8 -24,-0.2 -2,-0.2 0.923 115.9 48.4 -57.4 -46.5 10.7 40.8 11.7 52 59 A Y H <>S+ 0 0 16 -4,-3.0 5,-2.7 2,-0.2 3,-0.3 0.865 108.7 51.3 -69.2 -38.1 11.4 42.8 14.9 53 60 A R H ><5S+ 0 0 7 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.903 110.4 50.8 -63.8 -36.1 13.8 40.3 16.3 54 61 A X H 3<5S+ 0 0 3 -4,-2.1 246,-2.2 1,-0.3 247,-0.4 0.636 104.7 57.5 -77.1 -12.3 15.7 40.4 13.0 55 62 A A T 3<5S- 0 0 6 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.343 125.8-105.9 -90.0 4.5 15.7 44.2 13.4 56 63 A G T < 5S+ 0 0 8 -3,-1.5 -3,-0.2 1,-0.3 2,-0.2 0.617 80.2 124.6 83.8 13.6 17.5 43.7 16.7 57 64 A R < - 0 0 23 -5,-2.7 -1,-0.3 -6,-0.1 2,-0.1 -0.488 67.9 -82.5-100.9 169.8 14.5 44.5 18.9 58 65 A G > - 0 0 17 1160,-0.4 3,-1.7 -2,-0.2 4,-0.3 -0.432 34.8-119.5 -71.5 147.1 12.9 42.4 21.7 59 66 A S G > S+ 0 0 24 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.859 110.2 62.4 -49.4 -41.1 10.4 39.7 20.9 60 67 A L G > S+ 0 0 4 1,-0.3 3,-2.2 2,-0.2 4,-0.4 0.619 77.8 83.9 -75.1 -9.7 7.7 41.4 22.9 61 68 A A G X S+ 0 0 2 -3,-1.7 3,-1.0 1,-0.3 5,-0.4 0.785 81.1 68.8 -54.3 -30.2 7.8 44.5 20.7 62 69 A G G < S+ 0 0 0 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.533 95.6 53.9 -63.5 -9.2 5.4 42.5 18.5 63 70 A L G < S+ 0 0 5 -3,-2.2 1083,-0.7 1082,-0.1 -1,-0.2 0.563 98.7 74.1-103.1 -9.7 2.7 42.7 21.2 64 71 A L B X S-I 1145 0B 8 -3,-1.0 2,-1.9 -4,-0.4 3,-0.6 -0.388 97.8 -82.8-108.5 179.4 2.6 46.5 21.6 65 72 A A T 3 S+ 0 0 1 1079,-1.0 1085,-2.8 1,-0.2 1086,-0.4 -0.205 90.2 106.8 -82.4 47.7 1.3 49.5 19.7 66 73 A Y E 3 S-J 1149 0C 7 -2,-1.9 1083,-0.3 -5,-0.4 2,-0.3 0.433 90.9 -20.6-100.4 -6.9 4.3 49.9 17.3 67 74 A G E < S-J 1148 0C 11 1081,-0.8 1081,-1.2 -3,-0.6 2,-0.8 -0.959 75.5 -80.3-179.0 175.2 2.5 48.5 14.3 68 75 A N E > -J 1147 0C 32 1079,-0.3 4,-2.2 -2,-0.3 3,-0.3 -0.875 34.4-159.6 -94.9 110.9 -0.4 46.5 13.0 69 76 A A H > S+ 0 0 3 1077,-2.6 4,-2.3 -2,-0.8 -21,-0.2 0.870 88.3 52.3 -56.9 -42.8 0.5 42.9 13.3 70 77 A N H > S+ 0 0 7 1076,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.801 110.8 46.8 -72.6 -30.8 -2.0 41.6 10.7 71 78 A Q H > S+ 0 0 95 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.897 111.2 53.0 -70.8 -42.3 -0.9 44.1 8.1 72 79 A I H X S+ 0 0 14 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.895 104.4 54.2 -61.1 -42.6 2.8 43.2 8.7 73 80 A V H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.903 110.5 47.6 -61.0 -37.6 2.2 39.5 8.3 74 81 A V H >X S+ 0 0 27 -4,-1.0 3,-0.8 1,-0.2 4,-0.6 0.922 110.8 51.4 -66.6 -42.9 0.7 40.3 4.8 75 82 A D H 3< S+ 0 0 69 -4,-2.5 3,-0.4 1,-0.2 4,-0.3 0.790 107.4 54.7 -61.1 -31.5 3.6 42.6 4.0 76 83 A X H >X S+ 0 0 0 -4,-2.0 4,-1.2 1,-0.2 3,-1.0 0.717 87.5 79.4 -77.9 -19.5 6.0 39.8 4.9 77 84 A A H X S+ 0 0 0 -4,-1.2 3,-1.1 -3,-0.4 4,-0.7 0.842 108.4 63.3-112.4 -48.2 9.1 34.7 2.3 81 88 A L G >< S+ 0 0 25 -4,-2.4 3,-1.0 1,-0.3 -3,-0.1 0.881 103.1 52.4 -56.1 -41.6 6.5 32.8 0.2 82 89 A P G 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.764 110.2 47.0 -66.0 -27.3 8.6 33.0 -3.1 83 90 A V G <4 S+ 0 0 16 -3,-1.1 2,-0.6 -4,-0.1 -2,-0.2 0.422 95.9 81.2 -96.1 1.0 11.8 31.7 -1.6 84 91 A V << + 0 0 15 -3,-1.0 5,-0.1 -4,-0.7 -50,-0.1 -0.938 53.5 173.0-110.0 116.1 10.2 28.7 0.2 85 92 A R S S+ 0 0 183 -2,-0.6 -1,-0.1 1,-0.1 -51,-0.0 0.721 71.0 8.5 -99.6 -28.5 9.7 25.9 -2.3 86 93 A H S S+ 0 0 125 2,-0.1 -1,-0.1 -84,-0.0 -2,-0.0 0.014 102.8 88.3-151.3 36.3 8.5 22.8 -0.4 87 94 A T S S- 0 0 17 -43,-0.0 -44,-0.1 -44,-0.0 2,-0.1 -1.000 76.5-109.7-138.9 133.0 7.7 23.7 3.2 88 95 A P - 0 0 10 0, 0.0 -44,-2.2 0, 0.0 2,-0.5 -0.407 29.3-158.8 -64.0 135.9 4.4 25.0 4.6 89 96 A V E -c 44 0A 7 24,-0.3 26,-3.0 -46,-0.2 27,-0.7 -0.980 8.3-164.9-116.6 129.3 4.5 28.6 5.7 90 97 A L E -cd 45 116A 0 -46,-2.9 -44,-2.1 -2,-0.5 2,-0.5 -0.761 13.3-129.3-112.8 155.3 2.0 29.8 8.1 91 98 A A E -cd 46 117A 0 25,-2.3 27,-2.0 -2,-0.3 2,-0.5 -0.913 14.8-129.9-104.4 132.0 0.9 33.3 9.1 92 99 A G E - d 0 118A 2 -46,-2.3 2,-0.4 -2,-0.5 27,-0.2 -0.702 30.4-162.2 -70.7 123.8 0.7 34.6 12.6 93 100 A V E - d 0 119A 0 25,-3.1 27,-1.4 -2,-0.5 2,-1.1 -0.920 19.8-133.4-112.9 139.7 -2.7 36.2 12.9 94 101 A N > - 0 0 7 -2,-0.4 3,-1.8 25,-0.2 28,-0.1 -0.805 22.5-169.9 -92.2 94.2 -3.7 38.6 15.7 95 102 A G T 3 S+ 0 0 3 -2,-1.1 -1,-0.2 26,-0.4 45,-0.1 0.662 79.8 54.1 -65.4 -20.9 -7.0 37.1 16.7 96 103 A T T 3 S+ 0 0 7 43,-0.1 -1,-0.3 -3,-0.1 1051,-0.0 0.342 71.6 134.2 -95.9 4.0 -8.1 40.0 18.9 97 104 A D X - 0 0 10 -3,-1.8 3,-1.2 1,-0.2 5,-0.1 -0.395 45.3-156.8 -54.8 113.9 -7.5 42.7 16.2 98 105 A P T 3 S+ 0 0 18 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.686 88.7 51.2 -71.0 -17.6 -10.7 44.8 16.5 99 106 A F T 3 S+ 0 0 10 1335,-0.1 2,-0.4 1334,-0.1 -2,-0.1 0.135 89.9 96.4-108.2 18.7 -10.5 46.0 13.0 100 107 A X < - 0 0 22 -3,-1.2 2,-0.8 -6,-0.1 3,-0.1 -0.903 64.8-146.0-102.1 130.8 -10.1 42.6 11.3 101 108 A V > - 0 0 44 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.930 22.0-152.1 -88.4 113.1 -13.0 40.8 9.8 102 109 A X H > S+ 0 0 39 -2,-0.8 4,-2.6 1,-0.2 5,-0.3 0.879 83.7 48.3 -56.6 -51.6 -11.8 37.3 10.7 103 110 A S H > S+ 0 0 40 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 115.6 43.5 -65.7 -40.5 -13.4 35.2 7.9 104 111 A T H > S+ 0 0 44 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.859 114.0 50.2 -74.3 -34.9 -12.4 37.5 5.1 105 112 A F H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.923 110.9 48.6 -68.6 -43.5 -8.8 38.0 6.4 106 113 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.936 111.3 50.9 -60.2 -45.5 -8.3 34.2 6.8 107 114 A R H X S+ 0 0 101 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.916 109.4 51.8 -56.8 -44.5 -9.6 33.7 3.3 108 115 A E H X S+ 0 0 80 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.934 107.9 50.9 -54.7 -49.8 -7.2 36.4 2.1 109 116 A L H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-1.0 0.883 110.1 49.8 -61.8 -39.0 -4.2 34.6 3.8 110 117 A K H ><5S+ 0 0 80 -4,-2.3 3,-0.9 2,-0.2 -1,-0.2 0.946 111.4 48.4 -62.1 -48.5 -5.2 31.3 2.1 111 118 A E H 3<5S+ 0 0 133 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.896 105.4 59.0 -61.7 -40.6 -5.4 33.1 -1.3 112 119 A I H 3<5S- 0 0 43 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.791 126.5 -99.1 -55.3 -31.6 -2.0 34.7 -0.7 113 120 A G T <<5 + 0 0 28 -4,-1.0 -24,-0.3 -3,-0.9 2,-0.2 0.474 69.9 148.1 120.0 8.3 -0.5 31.2 -0.4 114 121 A F < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -24,-0.2 -0.534 38.2-151.5 -71.7 141.3 -0.2 30.6 3.4 115 122 A A - 0 0 22 -26,-3.0 42,-2.5 -2,-0.2 2,-0.3 0.659 69.1 -28.7 -84.6 -21.2 -0.6 27.0 4.4 116 123 A G E -de 90 157A 0 -27,-0.7 -25,-2.3 40,-0.3 2,-0.3 -0.966 60.4-107.9-173.3-177.3 -2.0 27.8 7.8 117 124 A V E -de 91 158A 0 40,-2.2 42,-1.9 -2,-0.3 2,-0.3 -0.936 11.4-162.1-133.7 159.5 -2.2 30.2 10.7 118 125 A Q E -d 92 0A 0 -27,-2.0 -25,-3.1 -2,-0.3 2,-1.3 -0.922 36.8-106.0-128.2 156.9 -1.0 30.5 14.3 119 126 A N E +d 93 0A 0 -2,-0.3 42,-0.3 -27,-0.2 -25,-0.2 -0.710 56.0 174.6 -85.1 90.5 -2.3 32.9 17.0 120 127 A F + 0 0 11 -27,-1.4 2,-0.2 -2,-1.3 -2,-0.1 -0.942 57.9 36.5-152.0 135.6 0.4 35.5 17.2 121 128 A P S S- 0 0 6 0, 0.0 2,-0.4 0, 0.0 -26,-0.4 0.556 93.0-168.0 -61.9 152.4 0.8 38.0 18.7 122 129 A T > - 0 0 3 -2,-0.2 3,-1.4 -28,-0.1 4,-0.1 -0.963 37.2-145.8-125.2 137.3 -1.1 36.4 21.6 123 130 A V G > S+ 0 0 3 -2,-0.4 3,-2.0 1,-0.3 18,-0.1 0.618 93.0 85.6 -68.1 -10.8 -2.7 37.7 24.8 124 131 A G G 3 S+ 0 0 11 1,-0.3 -1,-0.3 37,-0.1 7,-0.0 0.776 83.3 57.4 -62.7 -25.3 -1.6 34.3 26.2 125 132 A L G < S+ 0 0 28 -3,-1.4 2,-0.3 59,-0.1 -1,-0.3 0.547 93.6 86.1 -78.2 -8.0 1.8 36.0 26.9 126 133 A I < + 0 0 4 -3,-2.0 2,-0.2 -4,-0.1 1083,-0.1 -0.760 56.9 174.7-103.4 141.0 0.1 38.6 29.0 127 134 A D > + 0 0 53 1081,-0.4 4,-1.6 -2,-0.3 3,-0.4 -0.590 31.1 39.3-129.1-174.6 -0.6 38.2 32.7 128 135 A G H > S- 0 0 37 1,-0.2 4,-1.9 2,-0.2 5,-0.1 -0.108 108.6 -33.8 76.4-163.3 -1.9 40.1 35.8 129 136 A L H > S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.817 135.3 62.2 -61.9 -31.4 -4.7 42.5 36.1 130 137 A F H > S+ 0 0 2 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.946 104.9 46.0 -64.1 -45.9 -3.8 43.8 32.6 131 138 A R H X S+ 0 0 47 -4,-1.6 4,-3.2 1,-0.2 5,-0.2 0.930 112.5 51.1 -58.5 -46.3 -4.6 40.4 31.1 132 139 A Q H X S+ 0 0 87 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.906 110.3 48.8 -58.6 -42.4 -7.8 40.2 33.1 133 140 A N H X S+ 0 0 27 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.910 112.4 48.8 -64.1 -41.6 -8.9 43.7 31.9 134 141 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-1.1 0.949 110.6 50.1 -60.9 -51.0 -8.1 42.6 28.3 135 142 A E H ><5S+ 0 0 66 -4,-3.2 3,-0.6 1,-0.2 5,-0.2 0.840 113.2 48.2 -53.6 -37.4 -10.1 39.4 28.7 136 143 A E H 3<5S+ 0 0 112 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.605 110.9 49.2 -82.0 -14.3 -13.0 41.5 30.1 137 144 A T T <<5S- 0 0 49 -3,-1.1 1002,-0.5 -4,-0.9 -1,-0.2 -0.070 126.5 -77.1-125.3 34.5 -13.0 44.2 27.4 138 145 A G T < 5S+ 0 0 47 -3,-0.6 -3,-0.2 1000,-0.1 -4,-0.1 0.605 105.3 99.2 90.5 13.9 -13.0 42.2 24.1 139 146 A X < + 0 0 6 -5,-2.6 2,-0.2 -6,-0.2 -3,-0.1 -0.441 52.8 148.5-130.9 59.9 -9.4 41.1 23.8 140 147 A S >> - 0 0 13 -5,-0.2 3,-1.5 -45,-0.1 4,-0.8 -0.576 62.0-122.9 -97.4 150.9 -9.7 37.6 25.1 141 148 A Y H >> S+ 0 0 8 1,-0.3 4,-2.1 -2,-0.2 3,-0.7 0.845 111.8 71.4 -58.0 -32.3 -7.7 34.4 24.2 142 149 A A H 3> S+ 0 0 59 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.759 92.3 55.3 -52.5 -33.1 -11.3 33.1 23.4 143 150 A Q H <> S+ 0 0 54 -3,-1.5 4,-2.0 2,-0.2 -1,-0.3 0.839 106.3 50.1 -69.7 -36.2 -11.2 35.4 20.3 144 151 A E H S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.914 108.4 51.3 -62.1 -42.2 -9.2 28.9 10.0 152 159 A H H ><5S+ 0 0 59 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.870 105.4 53.9 -61.6 -40.0 -9.9 25.2 10.5 153 160 A K H 3<5S+ 0 0 184 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.853 106.8 52.9 -64.0 -34.0 -13.3 25.5 8.8 154 161 A L T 3<5S- 0 0 34 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.357 120.9-114.6 -78.3 5.9 -11.4 27.0 5.8 155 162 A D T < 5 + 0 0 70 -3,-1.6 -150,-0.4 1,-0.2 2,-0.3 0.836 64.0 151.1 59.4 35.4 -9.1 24.0 5.9 156 163 A L < - 0 0 3 -5,-2.5 -40,-0.3 -8,-0.1 2,-0.3 -0.722 55.8-105.8 -84.5 145.0 -6.0 25.9 6.9 157 164 A L E -e 116 0A 0 -42,-2.5 -40,-2.2 -2,-0.3 2,-0.4 -0.570 39.2-154.0 -66.3 133.1 -3.4 24.2 8.9 158 165 A T E +e 117 0A 0 -2,-0.3 20,-2.0 -42,-0.2 19,-1.3 -0.967 25.7 167.5-119.0 128.6 -3.7 25.5 12.5 159 166 A T + 0 0 2 -42,-1.9 20,-0.2 -2,-0.4 -41,-0.1 -0.412 21.0 179.9-135.2 58.7 -0.7 25.5 15.0 160 167 A P - 0 0 0 0, 0.0 20,-3.0 0, 0.0 2,-0.4 -0.216 29.6-117.7 -68.0 148.0 -1.8 27.7 17.9 161 168 A Y E -f 180 0A 3 -42,-0.3 2,-0.3 18,-0.2 20,-0.2 -0.688 31.0-169.1 -73.2 137.3 0.1 28.5 21.1 162 169 A V E -f 181 0A 0 18,-2.3 20,-2.2 -2,-0.4 39,-0.1 -0.962 14.6-173.9-127.0 143.1 -1.5 27.2 24.2 163 170 A F + 0 0 32 -2,-0.3 -1,-0.1 18,-0.2 18,-0.1 0.481 67.2 19.5-115.7 -4.6 -0.4 28.3 27.7 164 171 A S S > S- 0 0 24 1,-0.1 4,-2.0 37,-0.1 -1,-0.2 -0.946 83.5 -97.3-156.8 163.9 -2.5 26.1 30.0 165 172 A P H > S+ 0 0 34 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.887 124.5 56.8 -55.1 -39.0 -4.6 22.9 30.0 166 173 A E H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.915 107.3 46.3 -58.3 -46.4 -7.6 25.2 29.5 167 174 A D H > S+ 0 0 19 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.873 109.9 55.8 -62.9 -38.8 -6.1 26.7 26.3 168 175 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.921 109.8 44.7 -64.2 -44.4 -5.2 23.1 25.1 169 176 A V H X S+ 0 0 36 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.946 113.5 50.3 -60.9 -48.8 -8.9 22.0 25.4 170 177 A A H X S+ 0 0 31 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.931 115.6 41.6 -60.7 -45.6 -10.2 25.1 23.8 171 178 A X H X>S+ 0 0 0 -4,-2.8 5,-2.3 2,-0.2 4,-0.6 0.877 112.1 55.0 -70.3 -37.1 -7.8 24.9 20.8 172 179 A A H ><5S+ 0 0 2 -4,-2.4 3,-1.3 -5,-0.3 -2,-0.2 0.948 109.6 47.6 -60.8 -46.1 -8.3 21.1 20.5 173 180 A K H 3<5S+ 0 0 150 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.788 104.9 60.5 -63.3 -30.5 -12.1 21.6 20.3 174 181 A A H 3<5S- 0 0 14 -4,-1.4 -1,-0.3 -5,-0.2 -22,-0.2 0.573 125.5-101.5 -70.2 -13.1 -11.5 24.4 17.6 175 182 A G T <<5 - 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