==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUL-12 4GB7 . COMPND 2 MOLECULE: 6-AMINOHEXANOATE-DIMER HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR J.OSIPIUK,M.ZHOU,K.KWON,W.F.ANDERSON,A.JOACHIMIAK,CENTER FOR . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16021.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 253 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 . 15 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.3 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 2 2 1 2 1 1 0 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 3 2 2 2 1 1 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 1 0 0 0 0 1 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 32 A T 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 125.6 -1.6 32.1 41.0 2 33 A T - 0 0 123 19,-0.0 5,-0.1 16,-0.0 16,-0.1 -0.851 360.0-130.9 -92.4 112.6 -0.4 28.7 40.0 3 34 A P + 0 0 29 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.339 39.1 151.5 -71.1 146.6 -0.8 28.4 36.2 4 35 A S >> - 0 0 37 -2,-0.1 4,-1.7 1,-0.0 3,-1.3 -0.937 61.3 -87.1-156.6 170.1 -2.4 25.3 34.7 5 36 A K T 34 S+ 0 0 123 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.843 123.5 58.8 -53.7 -36.7 -4.4 24.2 31.7 6 37 A N T 34 S+ 0 0 162 1,-0.2 -1,-0.2 3,-0.0 3,-0.0 0.672 116.1 30.9 -69.1 -20.7 -7.6 25.3 33.5 7 38 A N T <4 S+ 0 0 48 -3,-1.3 2,-0.5 -5,-0.1 -2,-0.2 0.511 92.6 96.6-119.8 -3.4 -6.5 28.9 33.9 8 39 A V < + 0 0 12 -4,-1.7 2,-0.2 -3,-0.1 11,-0.0 -0.774 55.0 176.4 -89.0 126.2 -4.3 29.6 30.9 9 40 A T > - 0 0 53 -2,-0.5 4,-1.8 1,-0.0 3,-0.1 -0.747 48.4-102.3-127.0 167.3 -6.4 31.3 28.2 10 41 A K T 4 S+ 0 0 85 -2,-0.2 4,-0.2 1,-0.2 -1,-0.0 0.756 122.9 53.4 -60.8 -22.1 -6.0 32.9 24.8 11 42 A K T 4 S+ 0 0 151 173,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.919 121.7 22.9 -77.5 -40.9 -6.1 36.2 26.6 12 43 A N T >4 S+ 0 0 25 1,-0.1 3,-2.3 -5,-0.1 7,-0.3 0.396 82.8 105.7-112.6 -0.4 -3.4 35.6 29.2 13 44 A W T 3< S+ 0 0 1 -4,-1.8 9,-0.2 1,-0.3 10,-0.2 0.695 85.4 51.1 -62.1 -23.4 -1.0 32.9 28.0 14 45 A L T 3 S+ 0 0 7 -3,-0.2 2,-0.3 -4,-0.2 -1,-0.3 0.382 97.5 86.9 -89.4 -1.6 1.7 35.4 27.2 15 46 A D S <> S- 0 0 53 -3,-2.3 4,-2.5 1,-0.0 3,-0.3 -0.741 86.6 -70.4-104.5 149.6 1.6 37.1 30.6 16 47 A D T 4 S+ 0 0 84 -2,-0.3 -2,-0.1 1,-0.3 345,-0.1 -0.576 114.1 14.4 -67.2 137.7 3.3 36.2 33.8 17 48 A P T >> S+ 0 0 33 0, 0.0 3,-1.4 0, 0.0 4,-0.5 -0.998 124.1 57.6 -92.9 -5.6 2.7 33.8 35.5 18 49 A Y H >> S+ 0 0 50 -3,-0.3 4,-2.7 1,-0.3 3,-1.5 0.833 98.0 63.8 -55.0 -38.8 0.7 32.0 32.8 19 50 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -1,-0.3 0.797 89.2 66.3 -60.3 -31.8 3.6 32.0 30.4 20 51 A R H <4 S+ 0 0 29 -3,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.854 113.8 33.7 -61.1 -28.0 5.7 29.8 32.6 21 52 A W H XX S+ 0 0 27 -3,-1.5 3,-1.7 -4,-0.5 4,-0.6 0.867 116.8 51.6 -86.0 -53.9 3.1 27.1 31.9 22 53 A S H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -3,-0.2 0.933 109.1 50.8 -55.1 -44.4 2.1 27.9 28.4 23 54 A Y T 3< S+ 0 0 5 -4,-2.2 80,-2.8 1,-0.3 -1,-0.3 0.433 115.3 43.8 -76.6 1.8 5.8 28.0 27.1 24 55 A T T <4 S+ 0 0 14 -3,-1.7 -1,-0.3 78,-0.2 -2,-0.2 0.274 124.8 33.2-115.4 1.4 6.4 24.6 28.7 25 56 A H X< + 0 0 61 -3,-1.4 3,-2.1 -4,-0.6 4,-0.4 -0.092 67.4 142.6-145.9 39.1 3.1 23.0 27.5 26 57 A X G >> S+ 0 0 5 75,-0.3 3,-2.2 1,-0.3 4,-1.5 0.880 70.3 60.4 -61.1 -37.2 2.3 24.5 24.1 27 58 A K G 34 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.666 100.3 56.9 -66.0 -15.9 0.9 21.3 22.7 28 59 A E G <4 S+ 0 0 92 -3,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 0.531 115.1 37.8 -84.7 -1.8 -1.8 21.2 25.4 29 60 A F T <4 S+ 0 0 46 -3,-2.2 2,-0.3 -4,-0.4 -2,-0.2 0.558 119.1 28.7-122.5 -19.3 -3.0 24.7 24.4 30 61 A T S < S- 0 0 22 -4,-1.5 2,-0.3 228,-0.0 -1,-0.1 -0.839 83.2 -85.3-143.5 169.0 -2.7 24.7 20.6 31 62 A L - 0 0 87 226,-0.4 226,-2.6 -2,-0.3 2,-0.3 -0.649 51.1-172.8 -80.0 141.8 -2.8 22.7 17.4 32 63 A I E -A 256 0A 39 -2,-0.3 2,-0.5 224,-0.3 224,-0.2 -0.931 28.3-146.5-138.8 154.6 0.5 21.1 16.4 33 64 A N E -A 255 0A 25 222,-2.1 222,-2.6 -2,-0.3 2,-0.1 -0.998 35.2-122.8-116.5 125.1 2.3 19.2 13.7 34 65 A D E -A 254 0A 96 -2,-0.5 2,-0.6 220,-0.2 220,-0.3 -0.393 12.0-154.0 -68.0 143.2 4.9 16.8 15.0 35 66 A V E -A 253 0A 0 218,-3.0 218,-3.0 -2,-0.1 2,-0.2 -0.934 27.5-144.9-114.6 100.5 8.6 17.0 14.0 36 67 A K - 0 0 135 -2,-0.6 216,-0.1 216,-0.2 2,-0.1 -0.420 13.3-159.4 -77.2 138.8 9.8 13.4 14.4 37 68 A N - 0 0 16 -2,-0.2 208,-0.3 208,-0.1 215,-0.1 -0.173 35.7 -99.1 -84.2-170.6 13.2 12.3 15.5 38 69 A N > - 0 0 58 206,-0.4 3,-2.2 211,-0.4 210,-0.0 -0.920 30.8-166.1-109.2 101.6 14.6 8.8 14.8 39 70 A P T 3 S+ 0 0 86 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.690 86.7 54.8 -62.6 -20.2 14.1 6.9 18.0 40 71 A D T 3 S+ 0 0 141 1,-0.2 0, 0.0 -3,-0.1 0, 0.0 0.469 109.5 47.8 -88.5 -4.8 16.4 4.1 16.9 41 72 A Q S < S+ 0 0 134 -3,-2.2 2,-0.3 208,-0.2 207,-0.2 -0.337 70.6 147.9-134.4 50.6 19.3 6.5 16.3 42 73 A I - 0 0 86 -3,-0.4 2,-0.5 208,-0.1 207,-0.2 -0.650 34.3-150.3 -80.9 144.3 19.5 8.7 19.4 43 74 A A - 0 0 36 205,-2.2 2,-0.2 -2,-0.3 207,-0.1 -0.976 12.7-135.3-121.0 110.6 23.1 9.9 20.2 44 75 A R - 0 0 190 -2,-0.5 205,-0.0 1,-0.1 204,-0.0 -0.453 28.1-109.5 -58.5 136.5 23.7 10.4 23.9 45 76 A F - 0 0 20 -2,-0.2 -1,-0.1 41,-0.1 41,-0.1 -0.551 28.0-131.6 -68.2 122.5 25.6 13.7 24.6 46 77 A P - 0 0 57 0, 0.0 41,-2.9 0, 0.0 2,-0.3 -0.450 33.0-149.9 -65.8 147.4 29.2 12.9 25.8 47 78 A S B +d 87 0B 55 39,-0.3 41,-0.2 -2,-0.1 35,-0.1 -0.887 39.2 177.2-126.8 154.8 29.9 15.0 28.8 48 79 A A - 0 0 43 39,-3.0 38,-0.1 -2,-0.3 35,-0.0 -0.588 38.4-154.3-146.3 76.9 32.6 16.7 30.7 49 80 A L + 0 0 118 -2,-0.0 2,-0.4 2,-0.0 40,-0.2 -0.206 21.2 176.8 -68.2 138.7 30.7 18.3 33.5 50 81 A Q - 0 0 62 38,-2.9 2,-1.0 0, 0.0 -2,-0.1 -0.989 32.1-125.4-133.8 132.1 31.7 21.4 35.4 51 82 A N + 0 0 110 -2,-0.4 3,-0.4 1,-0.2 38,-0.1 -0.669 32.1 172.4 -83.1 108.0 29.4 22.8 38.0 52 83 A L > + 0 0 4 -2,-1.0 3,-1.8 1,-0.2 15,-0.3 0.189 41.6 114.9 -94.3 13.7 28.9 26.5 37.0 53 84 A D T 3 S+ 0 0 26 1,-0.3 15,-2.0 14,-0.2 16,-0.5 0.855 85.0 35.8 -56.9 -37.3 26.2 27.2 39.7 54 85 A D T 3 S+ 0 0 141 -3,-0.4 -1,-0.3 12,-0.2 -2,-0.1 0.214 81.7 138.7-106.4 16.6 28.5 29.7 41.5 55 86 A F < - 0 0 32 -3,-1.8 12,-2.3 1,-0.1 2,-0.7 -0.377 60.4-117.8 -57.7 128.8 30.2 31.1 38.4 56 87 A A E -L 66 0C 57 10,-0.2 2,-0.5 -2,-0.1 -1,-0.1 -0.686 29.9-163.9 -81.9 112.3 30.4 34.9 39.0 57 88 A V E -L 65 0C 0 8,-2.9 8,-2.1 -2,-0.7 2,-1.0 -0.832 18.4-129.9 -93.0 130.3 28.4 36.7 36.3 58 89 A Q E -L 64 0C 76 -2,-0.5 6,-0.2 6,-0.2 3,-0.2 -0.703 21.2-176.4 -82.3 108.1 29.1 40.4 36.0 59 90 A R E S- 0 0 113 4,-2.6 2,-0.3 -2,-1.0 -1,-0.2 0.950 85.5 -27.6 -61.0 -43.2 25.7 42.3 36.1 60 91 A R E > S-L 63 0C 182 3,-0.9 3,-2.4 -3,-0.2 -1,-0.4 -0.921 100.0 -58.4-154.9 172.4 28.0 45.2 35.4 61 92 A F T 3 S+ 0 0 188 1,-0.3 3,-0.0 -2,-0.3 -3,-0.0 -0.382 128.1 16.0 -62.0 130.2 31.7 45.8 36.3 62 93 A G T 3 S+ 0 0 68 -2,-0.0 2,-0.3 1,-0.0 -1,-0.3 0.481 109.3 87.7 86.0 5.0 32.0 45.5 40.0 63 94 A S E < +L 60 0C 42 -3,-2.4 -4,-2.6 2,-0.0 -3,-0.9 -0.756 55.4 175.9-137.4 87.5 28.7 43.8 40.6 64 95 A A E -L 58 0C 67 -2,-0.3 -6,-0.2 -6,-0.2 -8,-0.1 -0.598 5.9-177.3 -90.9 152.7 28.9 40.0 40.3 65 96 A T E -L 57 0C 23 -8,-2.1 -8,-2.9 -2,-0.2 2,-0.1 -0.990 35.6 -95.9-149.1 144.3 26.1 37.6 41.0 66 97 A P E > -L 56 0C 52 0, 0.0 4,-2.1 0, 0.0 -10,-0.2 -0.345 31.9-128.1 -69.2 143.5 26.2 33.8 40.9 67 98 A L H > S+ 0 0 0 -12,-2.3 4,-2.8 -15,-0.3 5,-0.2 0.895 99.8 49.0 -58.6 -51.1 25.0 32.2 37.6 68 99 A K H > S+ 0 0 88 -15,-2.0 4,-2.2 -16,-0.3 -1,-0.2 0.926 114.7 45.6 -61.7 -45.4 22.3 29.7 38.7 69 100 A E H > S+ 0 0 127 -16,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.889 111.8 52.5 -63.7 -34.2 20.5 32.2 40.9 70 101 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.944 109.5 49.5 -66.6 -48.0 20.7 34.9 38.1 71 102 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.4 1,-0.2 3,-0.5 0.937 114.0 44.7 -53.3 -48.3 19.2 32.4 35.6 72 103 A D H ><5S+ 0 0 69 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.887 107.3 58.6 -65.6 -40.7 16.3 31.6 38.0 73 104 A D H 3<5S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 108.1 48.7 -63.2 -23.5 15.7 35.3 38.9 74 105 A N T <<5S- 0 0 18 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.117 121.6-105.5-108.3 23.3 15.1 35.9 35.2 75 106 A K T < 5 + 0 0 61 -3,-2.0 285,-2.5 1,-0.2 -3,-0.2 0.786 55.6 171.8 64.9 32.3 12.7 33.0 34.8 76 107 A T E < -E 359 0B 0 -5,-2.4 283,-0.3 283,-0.2 -1,-0.2 -0.478 16.0-175.3 -65.7 138.5 15.1 30.8 32.9 77 108 A D E + 0 0 0 281,-2.8 16,-2.5 1,-0.4 2,-0.3 0.710 68.7 13.1-102.4 -36.3 13.6 27.2 32.4 78 109 A A E -EF 358 92B 0 280,-2.1 280,-2.8 14,-0.2 2,-0.4 -0.986 55.3-177.7-146.7 142.6 16.7 25.6 30.7 79 110 A F E +EF 357 91B 0 12,-2.3 12,-2.1 -2,-0.3 2,-0.4 -0.978 9.5 178.8-143.4 117.9 20.3 26.4 30.3 80 111 A V E -EF 356 90B 0 276,-2.5 276,-2.4 -2,-0.4 2,-0.5 -0.994 8.0-168.9-126.8 130.9 22.7 24.1 28.4 81 112 A V E -EF 355 89B 0 8,-2.9 7,-3.1 -2,-0.4 8,-1.4 -0.972 4.2-175.6-121.7 122.7 26.4 24.7 27.8 82 113 A V E -EF 354 87B 0 272,-2.8 272,-2.3 -2,-0.5 2,-0.4 -0.943 2.9-175.1-117.2 137.4 28.3 22.5 25.3 83 114 A H E > S-EF 353 86B 18 3,-2.8 3,-1.5 -2,-0.4 270,-0.2 -0.994 70.6 -9.8-142.4 122.1 32.1 22.9 24.8 84 115 A N T 3 S- 0 0 84 268,-2.7 269,-0.1 -2,-0.4 3,-0.1 0.848 129.9 -55.7 51.5 40.9 34.2 21.1 22.3 85 116 A G T 3 S+ 0 0 18 267,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.648 117.1 106.5 71.4 19.2 31.2 18.9 21.5 86 117 A Q E < S- F 0 83B 83 -3,-1.5 -3,-2.8 -41,-0.1 2,-0.3 -0.980 75.1-111.5-128.8 139.6 30.7 17.7 25.1 87 118 A L E +dF 47 82B 10 -41,-2.9 -39,-3.0 -2,-0.4 -5,-0.2 -0.523 37.1 170.2 -65.9 127.9 28.0 18.7 27.5 88 119 A V E + 0 0 3 -7,-3.1 -38,-2.9 1,-0.4 2,-0.3 0.731 60.9 4.2-108.0 -33.2 29.5 20.8 30.4 89 120 A Y E + F 0 81B 2 -8,-1.4 -8,-2.9 -40,-0.2 -1,-0.4 -0.959 54.7 173.7-162.2 129.5 26.5 22.2 32.3 90 121 A E E + F 0 80B 44 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.979 4.2 178.2-141.0 137.4 22.8 21.9 32.2 91 122 A R E - F 0 79B 65 -12,-2.1 -12,-2.3 -2,-0.3 2,-0.4 -0.996 9.8-163.6-139.9 140.5 20.2 23.2 34.5 92 123 A Y E - F 0 78B 51 -2,-0.4 2,-0.3 -14,-0.2 -14,-0.2 -0.955 17.7-164.7-123.8 138.3 16.3 23.0 34.5 93 124 A F > + 0 0 11 -16,-2.5 3,-2.3 -2,-0.4 -2,-0.0 -0.796 53.4 22.6-126.8 162.6 14.2 25.3 36.6 94 125 A N T 3 S- 0 0 100 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.753 124.7 -59.8 59.4 27.3 10.7 25.8 37.9 95 126 A G T 3 S+ 0 0 82 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.491 89.1 159.2 80.8 4.2 9.7 22.2 37.6 96 127 A Y < - 0 0 18 -3,-2.3 2,-0.5 -19,-0.1 -1,-0.3 -0.422 40.6-127.7 -68.1 131.6 10.4 22.2 33.9 97 128 A N > - 0 0 83 -2,-0.2 3,-2.2 -73,-0.1 -1,-0.1 -0.667 7.2-144.1 -85.1 119.3 10.9 18.7 32.5 98 129 A E T 3 S+ 0 0 75 -2,-0.5 175,-0.4 1,-0.3 176,-0.4 0.699 98.4 52.4 -54.3 -24.1 14.2 18.5 30.4 99 130 A S T 3 S+ 0 0 37 173,-0.1 -1,-0.3 2,-0.1 173,-0.1 0.435 90.5 89.0 -98.6 1.5 12.6 16.0 28.0 100 131 A E S < S- 0 0 78 -3,-2.2 171,-0.1 171,-0.1 153,-0.0 -0.814 86.2-106.3-100.5 132.4 9.4 18.1 27.2 101 132 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -75,-0.3 -0.310 34.2-151.5 -59.5 146.5 9.6 20.5 24.3 102 133 A H E -B 271 0A 0 169,-2.5 169,-1.5 -77,-0.1 -78,-0.2 -0.807 24.0 -99.7-113.5 148.3 9.7 24.2 25.2 103 134 A G E -B 270 0A 1 -80,-2.8 256,-0.2 -2,-0.3 167,-0.2 -0.374 34.3-177.9 -59.7 143.1 8.5 27.2 23.3 104 135 A X > - 0 0 0 165,-0.9 3,-2.3 163,-0.3 -1,-0.1 0.364 12.6-160.6-129.4 4.4 11.4 28.9 21.4 105 136 A A G > S+ 0 0 3 162,-0.5 3,-1.4 1,-0.3 164,-0.4 -0.209 77.9 2.1 49.5-127.3 9.7 32.0 19.8 106 137 A S G > S+ 0 0 8 1,-0.3 3,-1.9 2,-0.2 4,-0.3 0.490 106.9 92.4 -77.2 0.0 11.9 33.2 16.9 107 138 A L G X S+ 0 0 0 -3,-2.3 3,-1.0 1,-0.3 4,-0.3 0.819 76.8 71.2 -56.2 -29.7 14.6 30.4 17.3 108 139 A A G X> S+ 0 0 0 -3,-1.4 3,-1.5 1,-0.2 4,-1.1 0.759 77.9 77.3 -51.7 -29.4 12.5 28.6 14.7 109 140 A K H <> S+ 0 0 1 -3,-1.9 4,-2.6 157,-0.4 -1,-0.2 0.824 83.2 61.4 -61.5 -31.9 13.6 31.0 12.0 110 141 A V H <> S+ 0 0 1 -3,-1.0 4,-2.2 -4,-0.3 -1,-0.3 0.770 99.8 57.0 -66.6 -24.5 17.0 29.4 11.5 111 142 A F H <> S+ 0 0 0 -3,-1.5 4,-1.8 -4,-0.3 -1,-0.2 0.910 108.5 45.2 -71.8 -46.6 15.3 26.1 10.5 112 143 A T H X S+ 0 0 0 -4,-1.1 4,-2.6 153,-0.3 -2,-0.2 0.926 114.3 50.4 -58.6 -45.9 13.4 27.7 7.7 113 144 A G H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.915 109.0 50.9 -57.8 -45.2 16.6 29.5 6.7 114 145 A A H X S+ 0 0 5 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.7 46.7 -61.2 -42.6 18.6 26.3 6.7 115 146 A I H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.878 110.0 53.5 -70.7 -40.6 16.1 24.5 4.5 116 147 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.943 110.0 47.9 -56.1 -45.0 15.9 27.5 2.1 117 148 A Q H X S+ 0 0 14 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.907 111.6 50.8 -62.4 -41.9 19.7 27.3 1.7 118 149 A S H X S+ 0 0 8 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.932 111.7 46.9 -61.4 -49.2 19.6 23.6 1.1 119 150 A L H <>S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 6,-0.8 0.868 111.1 51.8 -62.3 -36.2 16.9 23.9 -1.6 120 151 A A H ><5S+ 0 0 14 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.951 110.9 47.2 -66.4 -45.8 18.8 26.7 -3.3 121 152 A E H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 107.4 56.5 -66.6 -21.5 22.0 24.6 -3.3 122 153 A E T 3<5S- 0 0 92 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.390 116.7-118.7 -85.8 1.1 20.0 21.6 -4.7 123 154 A N T < 5S+ 0 0 147 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.773 82.9 120.1 61.3 32.1 18.9 24.0 -7.6 124 155 A R S - 0 0 73 -2,-0.3 3,-1.8 4,-0.1 22,-0.4 -0.988 9.1-149.1-122.3 119.2 17.0 30.6 -6.8 127 158 A L T 3 S+ 0 0 20 -2,-0.5 22,-2.6 1,-0.3 23,-0.3 0.668 97.1 57.8 -65.0 -15.6 17.6 33.0 -4.0 128 159 A E T 3 S+ 0 0 126 20,-0.2 -1,-0.3 19,-0.2 2,-0.2 0.488 89.7 91.5 -95.9 -3.2 17.7 36.0 -6.4 129 160 A K S < S- 0 0 100 -3,-1.8 19,-2.2 1,-0.1 20,-0.2 -0.501 85.9-100.4 -82.9 159.8 14.2 35.2 -7.7 130 161 A T B >> -M 147 0D 42 17,-0.3 3,-1.7 -2,-0.2 4,-0.5 -0.479 23.3-119.9 -78.6 150.4 11.1 36.8 -6.2 131 162 A A H >> S+ 0 0 0 15,-2.7 4,-2.3 12,-0.4 3,-1.4 0.839 113.0 62.4 -56.3 -34.9 8.9 35.0 -3.8 132 163 A D H 34 S+ 0 0 12 12,-2.6 -1,-0.3 1,-0.3 7,-0.2 0.562 87.1 73.0 -77.2 -1.3 5.9 35.4 -6.2 133 164 A T H <4 S+ 0 0 74 -3,-1.7 -1,-0.3 11,-0.3 -2,-0.2 0.848 114.8 24.2 -67.2 -34.1 7.9 33.3 -8.7 134 165 A Y H << S+ 0 0 41 -3,-1.4 2,-0.6 -4,-0.5 -2,-0.2 0.747 125.9 49.2-104.2 -31.6 7.1 30.4 -6.4 135 166 A I >< - 0 0 0 -4,-2.3 3,-1.9 1,-0.1 -1,-0.2 -0.860 60.8-177.6-112.9 92.0 3.9 31.6 -4.7 136 167 A K G > S+ 0 0 173 -2,-0.6 3,-1.8 1,-0.3 -1,-0.1 0.828 79.9 68.6 -64.2 -27.5 1.5 32.8 -7.4 137 168 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.715 99.5 51.0 -56.8 -22.8 -1.0 33.8 -4.6 138 169 A L G X S+ 0 0 0 -3,-1.9 3,-2.5 -7,-0.1 6,-0.4 0.299 78.4 147.9 -97.7 5.4 1.5 36.5 -3.6 139 170 A K T < S- 0 0 125 -3,-1.8 6,-0.1 1,-0.3 -3,-0.1 -0.161 76.3 -3.7 -52.6 126.0 2.0 38.0 -7.0 140 171 A N T 3 S+ 0 0 119 1,-0.2 -1,-0.3 2,-0.1 -2,-0.0 0.563 104.3 122.3 68.3 14.0 2.7 41.8 -6.9 141 172 A T S <> S- 0 0 26 -3,-2.5 4,-2.2 1,-0.1 -1,-0.2 -0.570 79.3-100.0 -95.3 167.2 2.2 41.9 -3.1 142 173 A P H > S+ 0 0 20 0, 0.0 4,-0.7 0, 0.0 15,-0.1 0.877 124.0 39.2 -59.3 -46.2 4.9 43.2 -0.8 143 174 A F H 4 S+ 0 0 0 57,-0.4 -12,-0.4 1,-0.2 3,-0.2 0.817 115.5 56.6 -69.4 -29.1 6.2 39.7 0.3 144 175 A G H 4 S+ 0 0 0 -6,-0.4 -12,-2.6 1,-0.2 -11,-0.3 0.854 104.1 50.5 -64.6 -38.4 5.8 38.5 -3.2 145 176 A K H < S+ 0 0 104 -4,-2.2 -1,-0.2 -14,-0.2 2,-0.2 0.637 92.0 94.7 -78.1 -19.8 8.0 41.2 -4.8 146 177 A A S < S- 0 0 0 -4,-0.7 -15,-2.7 -3,-0.2 -14,-0.2 -0.506 78.3-120.2 -72.8 145.7 10.8 40.5 -2.4 147 178 A T B > -M 130 0D 20 -17,-0.3 4,-2.0 -2,-0.2 -17,-0.3 -0.419 25.7-112.0 -74.7 160.1 13.6 38.2 -3.5 148 179 A L H > S+ 0 0 0 -19,-2.2 4,-3.0 -22,-0.4 -20,-0.2 0.897 120.5 53.9 -59.1 -42.2 14.2 35.1 -1.4 149 180 A Q H > S+ 0 0 32 -22,-2.6 4,-2.1 -20,-0.2 174,-0.2 0.895 106.0 52.4 -59.0 -44.2 17.6 36.6 -0.3 150 181 A Q H 4>S+ 0 0 45 -23,-0.3 5,-2.9 2,-0.2 6,-0.3 0.889 111.6 46.9 -56.6 -42.0 15.8 39.8 0.8 151 182 A L H ><5S+ 0 0 0 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.941 110.1 52.5 -64.2 -50.6 13.4 37.7 2.9 152 183 A X H 3<5S+ 0 0 1 -4,-3.0 172,-1.5 1,-0.3 -2,-0.2 0.848 113.6 44.8 -51.0 -37.5 16.4 35.7 4.3 153 184 A D T 3<5S- 0 0 9 -4,-2.1 -1,-0.3 170,-0.2 -2,-0.2 0.296 111.3-118.3 -95.1 6.9 18.1 38.9 5.3 154 185 A X T < 5 + 0 0 0 -3,-1.8 60,-3.0 59,-0.1 -3,-0.2 0.921 69.8 136.8 57.7 46.8 15.0 40.6 6.8 155 186 A Q < + 0 0 37 -5,-2.9 55,-2.9 58,-0.3 2,-0.6 0.057 33.0 106.1-112.2 27.3 15.1 43.4 4.3 156 187 A V - 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0 0 118 -2,-0.4 4,-2.3 1,-0.1 3,-1.0 -0.403 32.3-115.9 -59.5 146.6 4.8 44.0 18.6 172 203 A N H 3> S+ 0 0 43 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.859 114.4 62.4 -58.7 -32.9 2.0 44.0 16.0 173 204 A Q H 3> S+ 0 0 21 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.825 110.6 40.3 -65.8 -28.3 3.9 41.6 13.8 174 205 A D H <> S+ 0 0 14 -3,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.904 113.3 52.8 -79.7 -48.5 3.7 39.1 16.6 175 206 A A H X S+ 0 0 2 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.934 110.0 50.4 -50.8 -47.4 0.1 39.9 17.6 176 207 A Q H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.883 108.6 50.1 -64.9 -38.0 -1.0 39.4 13.9 177 208 A L H X S+ 0 0 0 -4,-0.8 4,-1.4 -5,-0.3 -1,-0.2 0.933 114.0 45.6 -66.6 -42.0 0.7 36.0 13.6 178 209 A Y H <>S+ 0 0 4 -4,-2.5 5,-2.6 2,-0.2 6,-0.6 0.905 113.3 48.3 -68.9 -38.9 -1.0 34.8 16.8 179 210 A L H ><5S+ 0 0 2 -4,-3.0 3,-1.8 1,-0.2 -2,-0.2 0.938 111.1 52.6 -62.5 -44.7 -4.4 36.2 15.8 180 211 A A H 3<5S+ 0 0 0 -4,-3.0 79,-0.4 1,-0.3 -1,-0.2 0.826 110.7 47.7 -55.3 -34.0 -3.9 34.5 12.3 181 212 A S T 3<5S- 0 0 3 -4,-1.4 -1,-0.3 14,-0.2 -2,-0.2 0.317 113.8-119.4 -91.8 2.1 -3.2 31.3 14.2 182 213 A N T < 5S+ 0 0 39 -3,-1.8 -3,-0.2 -4,-0.1 -2,-0.1 0.798 82.2 116.1 65.8 30.8 -6.2 31.7 16.4 183 214 A I < + 0 0 9 -5,-2.6 -4,-0.2 -6,-0.1 -170,-0.2 0.296 66.2 58.0-117.4 6.0 -4.2 31.7 19.7 184 215 A L S S- 0 0 2 -6,-0.6 2,-0.2 -5,-0.1 -173,-0.2 -0.903 106.0 -84.3-118.2 161.3 -5.1 35.3 20.7 185 216 A P - 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