==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-05 1ZVK . COMPND 2 MOLECULE: KUMAMOLISIN-AS; . SOURCE 2 ORGANISM_SCIENTIFIC: ALICYCLOBACILLUS SENDAIENSIS; . AUTHOR M.LI,A.WLODAWER,A.GUSTCHINA,T.NAKAYAMA . 708 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 71 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.7 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 . 1 0.1 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 . 43 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 4 0 0 2 2 0 2 0 2 1 0 1 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 4 4 2 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 PARALLEL BRIDGES PER LADDER . 7 6 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 6 4 0 0 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 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 4 A T 0 0 119 0, 0.0 258,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 128.2 9.5 12.9 15.4 2 5 A A - 0 0 31 256,-0.2 2,-0.3 259,-0.0 258,-0.2 -0.986 360.0-158.9-157.6 141.9 12.6 13.3 13.2 3 6 A Y B -a 260 0A 17 256,-2.3 258,-2.5 -2,-0.3 255,-0.0 -0.827 20.3-124.4-116.7 149.2 16.1 12.2 13.3 4 7 A T > - 0 0 25 -2,-0.3 4,-1.7 256,-0.2 3,-0.2 -0.564 40.2-108.7 -80.4 163.7 19.4 13.3 11.8 5 8 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.880 123.2 60.1 -59.5 -30.4 21.0 10.5 9.9 6 9 A L H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.919 100.8 51.1 -63.8 -39.5 23.5 10.6 12.8 7 10 A D H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.889 111.6 49.0 -68.3 -33.0 20.8 9.8 15.3 8 11 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.928 109.2 49.9 -68.8 -46.6 19.7 6.9 13.3 9 12 A A H <>S+ 0 0 6 -4,-2.7 5,-2.5 1,-0.2 -1,-0.2 0.864 110.3 53.9 -61.7 -28.3 23.2 5.5 12.9 10 13 A Q H ><5S+ 0 0 97 -4,-1.8 3,-1.3 -5,-0.3 -1,-0.2 0.937 104.6 51.2 -70.6 -40.6 23.6 5.8 16.6 11 14 A A H 3<5S+ 0 0 2 -4,-1.6 188,-0.4 1,-0.3 -1,-0.2 0.846 112.9 47.2 -64.4 -30.1 20.5 3.8 17.3 12 15 A Y T 3<5S- 0 0 2 -4,-1.7 333,-3.2 186,-0.1 -1,-0.3 0.154 113.6-123.5 -95.0 13.0 21.8 1.1 15.0 13 16 A Q T < 5 - 0 0 82 -3,-1.3 333,-1.8 331,-0.2 -3,-0.2 0.873 32.6-164.9 44.2 55.6 25.2 1.3 16.7 14 17 A F < - 0 0 2 -5,-2.5 2,-0.2 331,-0.2 -1,-0.1 -0.355 36.5 -91.2 -60.8 146.4 27.3 2.0 13.7 15 18 A P > - 0 0 6 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.438 46.1-130.5 -71.4 130.9 31.0 1.5 14.5 16 19 A E T 3 S+ 0 0 147 -2,-0.2 3,-0.1 1,-0.2 0, 0.0 -0.366 81.8 34.0 -81.2 158.9 32.6 4.7 15.7 17 20 A G T 3 S+ 0 0 82 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.612 95.4 101.9 74.9 16.6 35.9 6.2 14.5 18 21 A L < + 0 0 23 -3,-0.6 -1,-0.2 1,-0.1 269,-0.1 -1.000 35.9 166.4-129.7 133.0 35.2 4.9 10.9 19 22 A D - 0 0 55 -2,-0.4 70,-2.4 68,-0.1 71,-1.0 0.184 63.9 -92.1-131.6 11.8 34.0 7.2 8.1 20 23 A G > + 0 0 0 69,-0.2 3,-1.8 1,-0.2 71,-0.3 0.492 61.0 173.9 91.8 -0.3 34.5 5.3 5.0 21 24 A Q T 3 + 0 0 119 1,-0.3 -1,-0.2 69,-0.2 69,-0.2 -0.109 68.6 18.0 -40.9 134.6 38.0 6.7 4.2 22 25 A G T 3 S+ 0 0 80 67,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.457 107.4 106.1 77.2 6.9 39.6 4.9 1.2 23 26 A Q < - 0 0 29 -3,-1.8 68,-2.2 66,-0.2 2,-0.5 -0.869 57.7-148.5-116.1 148.9 36.3 3.6 0.0 24 27 A C E -c 91 0B 11 94,-0.3 96,-2.7 -2,-0.3 97,-1.2 -0.976 8.5-162.1-124.1 123.3 34.0 4.6 -2.9 25 28 A I E -cd 92 121B 0 66,-2.2 68,-2.5 -2,-0.5 2,-0.4 -0.867 9.2-149.8-103.1 130.2 30.3 4.3 -2.7 26 29 A A E -cd 93 122B 0 95,-3.2 97,-3.2 -2,-0.5 2,-0.4 -0.811 8.7-166.3-103.9 141.2 28.3 4.4 -5.9 27 30 A I E -cd 94 123B 0 66,-2.7 68,-2.2 -2,-0.4 2,-0.4 -0.998 11.9-142.5-130.9 125.0 24.8 5.7 -6.0 28 31 A I E -c 95 0B 0 95,-1.7 97,-0.4 -2,-0.4 2,-0.4 -0.710 20.2-178.5 -90.8 131.6 22.4 5.2 -9.0 29 32 A E E -c 96 0B 0 66,-2.8 68,-2.2 -2,-0.4 3,-0.1 -0.999 19.2-172.9-135.2 136.9 20.1 8.0 -10.1 30 33 A L + 0 0 12 -2,-0.4 2,-0.3 66,-0.2 69,-0.2 0.189 69.4 4.0-110.2 14.4 17.5 8.0 -12.9 31 34 A G S S+ 0 0 25 41,-0.1 -1,-0.1 67,-0.1 45,-0.1 -0.967 99.6 20.4 177.7 167.7 16.4 11.6 -12.9 32 35 A G - 0 0 12 -2,-0.3 32,-2.1 32,-0.1 2,-0.3 -0.293 67.9-126.9 62.1-137.5 16.9 15.2 -11.5 33 36 A G - 0 0 0 30,-0.3 2,-0.4 39,-0.1 44,-0.3 -0.947 20.1 -81.7 175.3-177.4 20.2 16.0 -9.8 34 37 A Y - 0 0 8 -2,-0.3 2,-0.7 42,-0.1 40,-0.1 -0.947 27.6-133.7-116.1 140.9 21.6 17.3 -6.6 35 38 A D >> - 0 0 50 -2,-0.4 4,-1.7 1,-0.1 3,-1.0 -0.794 12.8-152.3 -82.9 109.7 21.9 21.0 -5.7 36 39 A E H 3> S+ 0 0 114 -2,-0.7 4,-2.5 1,-0.2 -1,-0.1 0.791 93.3 60.6 -57.0 -31.6 25.5 21.4 -4.3 37 40 A A H 3> S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.808 103.3 51.9 -65.0 -34.2 24.3 24.4 -2.1 38 41 A S H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.928 111.6 44.4 -67.2 -46.0 21.9 22.1 -0.4 39 42 A L H X S+ 0 0 4 -4,-1.7 4,-3.3 1,-0.2 5,-0.4 0.943 110.9 55.4 -66.6 -39.8 24.5 19.5 0.4 40 43 A A H X S+ 0 0 63 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.924 113.8 39.2 -58.5 -49.7 27.0 22.1 1.5 41 44 A Q H X S+ 0 0 115 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.853 117.2 51.3 -65.2 -41.2 24.6 23.6 4.1 42 45 A Y H X S+ 0 0 5 -4,-2.8 4,-1.1 -5,-0.2 6,-0.2 0.984 110.8 45.1 -66.0 -52.3 23.2 20.2 5.2 43 46 A F H ><>S+ 0 0 6 -4,-3.3 5,-2.1 -5,-0.2 3,-0.9 0.939 114.5 48.9 -61.2 -43.1 26.6 18.6 5.8 44 47 A A H ><5S+ 0 0 71 -4,-1.7 3,-1.8 -5,-0.4 -1,-0.2 0.903 105.2 57.3 -59.2 -42.1 27.9 21.6 7.7 45 48 A S H 3<5S+ 0 0 90 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.5 50.1 -65.5 -19.0 24.9 21.9 9.9 46 49 A L T <<5S- 0 0 31 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.415 116.4-114.0 -93.9 -4.8 25.5 18.3 11.0 47 50 A G T < 5 + 0 0 66 -3,-1.8 -3,-0.2 -4,-0.4 -2,-0.1 0.616 69.8 142.6 83.4 6.2 29.1 19.0 11.8 48 51 A V < - 0 0 15 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.2 -0.709 56.8-116.4 -92.0 129.0 30.2 16.6 9.0 49 52 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.403 48.1 -90.9 -59.9 131.9 33.3 17.5 6.9 50 53 A A - 0 0 91 1,-0.1 2,-0.1 -2,-0.1 -10,-0.1 -0.191 47.2-138.5 -47.3 114.9 32.2 18.1 3.3 51 54 A P - 0 0 13 0, 0.0 2,-0.6 0, 0.0 38,-0.1 -0.416 22.2-100.3 -76.8 153.2 32.4 14.7 1.5 52 55 A Q - 0 0 118 36,-0.4 40,-3.2 38,-0.4 2,-0.5 -0.682 44.8-175.7 -74.0 118.4 33.8 14.4 -2.0 53 56 A V E +e 92 0B 20 -2,-0.6 2,-0.4 38,-0.2 40,-0.2 -0.959 5.3 173.2-117.9 118.3 30.8 14.1 -4.4 54 57 A V E -e 93 0B 38 38,-3.3 40,-3.0 -2,-0.5 2,-0.4 -0.928 19.8-140.2-125.4 149.8 31.2 13.4 -8.1 55 58 A S E -e 94 0B 44 -2,-0.4 2,-0.4 38,-0.2 40,-0.2 -0.843 7.5-161.9-107.7 145.9 28.8 12.7 -11.0 56 59 A V E -e 95 0B 9 38,-2.7 40,-1.9 -2,-0.4 2,-0.3 -0.995 17.3-135.7-124.2 124.2 29.2 10.3 -13.8 57 60 A S E -e 96 0B 48 -2,-0.4 2,-0.4 38,-0.2 5,-0.2 -0.585 20.9-171.2 -79.1 132.7 27.1 10.7 -17.0 58 61 A V > - 0 0 2 38,-2.2 3,-2.1 3,-0.4 49,-0.1 -0.994 67.2 -9.9-126.9 132.9 25.6 7.4 -18.4 59 62 A D T 3 S- 0 0 40 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.867 129.4 -53.2 46.8 45.4 23.8 7.2 -21.7 60 63 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.347 107.4 125.0 76.8 -7.3 23.6 11.0 -22.1 61 64 A A < + 0 0 19 -3,-2.1 -3,-0.4 35,-0.3 2,-0.3 -0.461 35.3 178.3 -84.1 156.8 22.0 11.7 -18.7 62 65 A S - 0 0 50 -5,-0.2 2,-0.8 -2,-0.2 35,-0.1 -0.905 41.4 -71.7-148.6 175.2 23.7 14.1 -16.3 63 66 A N + 0 0 44 -2,-0.3 -30,-0.3 33,-0.1 -31,-0.1 -0.551 58.8 160.9 -73.5 110.3 23.4 15.7 -12.9 64 67 A Q - 0 0 108 -32,-2.1 2,-0.2 -2,-0.8 -32,-0.1 -0.595 21.5-167.1-137.7 87.7 20.6 18.2 -13.5 65 68 A P - 0 0 55 0, 0.0 -31,-0.1 0, 0.0 -33,-0.0 -0.473 5.1-162.1 -66.7 134.9 18.8 19.6 -10.4 66 69 A T - 0 0 95 2,-0.2 -32,-0.0 -33,-0.2 -34,-0.0 0.661 35.9-118.3 -93.3 -19.6 15.6 21.4 -11.5 67 70 A G S S+ 0 0 48 1,-0.3 3,-0.1 2,-0.0 197,-0.0 0.316 76.9 123.9 102.7 -13.8 15.2 23.3 -8.2 68 71 A D > > - 0 0 72 1,-0.2 3,-2.0 2,-0.0 5,-0.6 -0.745 45.1-165.8 -86.8 107.2 11.8 21.7 -7.5 69 72 A P T 3 5S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.754 89.4 57.3 -68.2 -23.5 12.1 20.1 -4.1 70 73 A S T 3 5S+ 0 0 106 3,-0.1 -2,-0.0 4,-0.1 0, 0.0 0.206 101.7 73.6 -90.9 16.2 9.0 18.1 -4.7 71 74 A G T X 5S- 0 0 21 -3,-2.0 3,-1.9 0, 0.0 4,-0.5 -0.329 111.9 -64.7-113.7-165.9 10.6 16.6 -7.9 72 75 A P T 3>5S+ 0 0 55 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.534 120.7 79.3 -64.6 -8.8 13.4 13.9 -8.5 73 76 A D H 3> S+ 0 0 13 -3,-1.9 4,-2.0 -6,-0.4 -1,-0.2 0.919 105.7 49.5 -63.4 -39.8 14.4 15.0 -3.6 75 78 A H H > S+ 0 0 44 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.970 115.8 44.7 -59.1 -50.9 15.1 11.4 -4.5 76 79 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.926 113.7 45.3 -63.6 -50.1 18.7 12.3 -5.4 77 80 A E H X S+ 0 0 0 -4,-3.5 4,-3.9 -44,-0.3 5,-0.4 0.908 109.9 56.5 -67.5 -34.1 19.5 14.5 -2.5 78 81 A L H X S+ 0 0 7 -4,-2.0 4,-2.2 -5,-0.4 5,-0.3 0.951 106.9 50.2 -56.0 -48.8 18.0 12.1 0.0 79 82 A D H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 5,-0.3 0.929 118.8 37.8 -51.8 -50.7 20.3 9.3 -1.3 80 83 A I H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.4 0.939 114.6 50.9 -72.4 -47.4 23.4 11.5 -1.0 81 84 A E H X S+ 0 0 0 -4,-3.9 4,-1.7 1,-0.2 -3,-0.2 0.942 113.4 45.4 -60.1 -44.4 22.6 13.3 2.3 82 85 A V H < S+ 0 0 0 -4,-2.2 4,-0.5 -5,-0.4 -1,-0.2 0.958 122.3 34.8 -66.2 -46.4 21.8 10.2 4.2 83 86 A A H >X S+ 0 0 0 -4,-1.8 4,-2.0 -5,-0.3 3,-1.4 0.930 118.5 50.6 -72.7 -45.2 24.8 8.2 3.0 84 87 A G H 3< S+ 0 0 0 -4,-3.3 -1,-0.2 -5,-0.3 -3,-0.2 0.786 105.7 58.3 -64.3 -25.8 27.2 11.1 2.8 85 88 A A T 3< S+ 0 0 4 -4,-1.7 -1,-0.3 -5,-0.4 -2,-0.2 0.786 115.0 36.0 -71.6 -20.6 26.3 12.1 6.3 86 89 A L T <4 S+ 0 0 0 -3,-1.4 -2,-0.2 -4,-0.5 -1,-0.2 0.668 128.3 29.5-112.4 -19.3 27.4 8.7 7.6 87 90 A A >< + 0 0 0 -4,-2.0 3,-2.4 3,-0.1 -1,-0.1 -0.399 68.3 152.5-128.3 54.2 30.4 7.8 5.4 88 91 A P T 3 S+ 0 0 23 0, 0.0 -36,-0.4 0, 0.0 -68,-0.1 0.646 70.4 63.4 -66.7 -10.8 31.8 11.3 4.7 89 92 A G T 3 S+ 0 0 22 -70,-2.4 -67,-0.5 -38,-0.1 -69,-0.2 0.728 89.7 88.6 -80.3 -16.8 35.3 9.9 4.3 90 93 A A S < S- 0 0 1 -3,-2.4 2,-0.4 -71,-1.0 -38,-0.4 -0.464 83.9-118.7 -80.5 152.1 34.1 7.9 1.4 91 94 A K E -c 24 0B 65 -68,-2.2 -66,-2.2 -71,-0.3 2,-0.6 -0.752 28.0-142.9 -84.0 129.9 34.1 9.2 -2.2 92 95 A F E -ce 25 53B 0 -40,-3.2 -38,-3.3 -2,-0.4 2,-0.6 -0.878 15.2-171.2 -99.3 126.3 30.6 9.4 -3.6 93 96 A A E -ce 26 54B 0 -68,-2.5 -66,-2.7 -2,-0.6 2,-0.7 -0.954 6.4-164.2-112.1 112.6 30.1 8.6 -7.3 94 97 A V E -ce 27 55B 0 -40,-3.0 -38,-2.7 -2,-0.6 2,-0.6 -0.887 4.3-157.1-101.1 115.6 26.6 9.4 -8.5 95 98 A Y E -ce 28 56B 0 -68,-2.2 -66,-2.8 -2,-0.7 2,-0.5 -0.867 5.3-160.2 -93.6 114.5 25.7 7.7 -11.8 96 99 A F E +ce 29 57B 2 -40,-1.9 -38,-2.2 -2,-0.6 -35,-0.3 -0.849 17.3 168.3-100.2 127.8 22.9 9.5 -13.8 97 100 A A - 0 0 3 -68,-2.2 -38,-0.1 -2,-0.5 -35,-0.1 -0.856 42.7 -84.7-130.6 163.0 21.1 7.5 -16.4 98 101 A P - 0 0 41 0, 0.0 2,-3.0 0, 0.0 6,-0.2 -0.394 52.7-100.1 -66.0 150.8 17.9 8.0 -18.5 99 102 A N S S+ 0 0 121 -69,-0.2 2,-0.3 4,-0.1 -69,-0.1 -0.351 90.2 105.5 -72.0 61.3 14.8 6.8 -16.7 100 103 A T S > S- 0 0 69 -2,-3.0 4,-2.6 1,-0.1 5,-0.2 -0.918 82.0-116.9-133.9 162.7 14.7 3.5 -18.6 101 104 A D H > S+ 0 0 70 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.813 118.6 55.8 -71.1 -28.8 15.5 -0.0 -17.5 102 105 A A H > S+ 0 0 62 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.920 110.1 45.4 -67.4 -37.1 18.3 -0.0 -20.1 103 106 A G H > S+ 0 0 0 2,-0.2 4,-3.2 3,-0.2 5,-0.2 0.915 112.4 50.1 -67.4 -49.9 19.8 3.2 -18.4 104 107 A F H X S+ 0 0 3 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.958 113.7 46.3 -56.1 -49.7 19.3 1.7 -14.9 105 108 A L H X S+ 0 0 35 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.957 114.2 48.2 -54.1 -47.3 21.1 -1.4 -16.1 106 109 A D H X S+ 0 0 49 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.869 108.5 53.1 -66.8 -36.6 23.8 0.6 -17.8 107 110 A A H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.914 111.0 47.9 -65.5 -39.3 24.3 2.8 -14.7 108 111 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.925 113.6 44.7 -66.8 -45.1 24.9 -0.2 -12.5 109 112 A T H X S+ 0 0 35 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.888 109.9 57.1 -71.7 -26.9 27.3 -1.9 -14.8 110 113 A T H < S+ 0 0 13 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.943 111.6 43.4 -60.1 -47.8 29.1 1.5 -15.3 111 114 A A H >< S+ 0 0 0 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.958 114.5 47.9 -59.1 -55.6 29.6 1.6 -11.5 112 115 A I H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.905 118.2 39.9 -57.9 -42.4 30.6 -2.1 -11.0 113 116 A H T 3< S+ 0 0 30 -4,-2.1 441,-0.5 -5,-0.3 -1,-0.3 0.389 79.4 139.5 -92.1 7.8 33.1 -2.0 -13.8 114 117 A D <> - 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0 0 0 -3,-2.2 -90,-1.8 -28,-0.2 -1,-0.3 -0.646 55.5 -27.1 106.3-166.3 44.8 5.7 -22.0 697 345 B S E -E 667 0O 0 -30,-2.0 -30,-4.0 -2,-0.2 -90,-0.1 -0.735 69.1-120.0 -86.7 139.4 42.6 2.6 -22.5 698 346 B P E -E 666 0O 0 0, 0.0 2,-0.8 0, 0.0 -32,-0.2 -0.427 8.8-136.1 -75.4 152.3 39.2 3.3 -24.1 699 347 B I >> - 0 0 10 -34,-2.2 4,-2.1 1,-0.2 3,-0.8 -0.931 22.7-153.1-103.5 101.3 36.0 2.4 -22.2 700 348 B G H 3> S+ 0 0 0 -333,-2.8 4,-2.3 -2,-0.8 -331,-0.3 0.827 86.3 50.4 -53.7 -44.4 34.2 0.9 -25.1 701 349 B V H 3> S+ 0 0 49 -333,-2.1 4,-2.0 1,-0.2 -1,-0.3 0.882 114.4 47.9 -61.9 -33.2 30.6 1.4 -24.0 702 350 B R H <> S+ 0 0 34 -3,-0.8 4,-1.6 2,-0.2 -1,-0.2 0.818 108.2 51.8 -83.0 -27.3 31.4 5.1 -23.3 703 351 B L H X S+ 0 0 4 -4,-2.1 4,-1.3 -38,-0.2 -1,-0.2 0.929 110.9 51.7 -69.8 -35.9 33.2 5.7 -26.6 704 352 B L H X S+ 0 0 11 -4,-2.3 4,-1.1 -5,-0.3 3,-0.4 0.943 108.3 49.1 -60.3 -48.2 30.2 4.3 -28.3 705 353 B Q H < S+ 0 0 71 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.861 109.5 51.4 -64.6 -34.9 27.8 6.6 -26.5 706 354 B A H < S+ 0 0 48 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.782 110.2 50.9 -70.7 -24.2 29.8 9.6 -27.3 707 355 B L H < S+ 0 0 37 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.676 90.7 98.8 -86.6 -15.2 29.8 8.6 -31.0 708 356 B L < 0 0 53 -4,-1.1 -61,-0.0 -3,-0.2 -3,-0.0 -0.447 360.0 360.0 -71.2 136.7 26.0 8.1 -31.0 709 357 B P 0 0 159 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.310 360.0 360.0 -59.2 360.0 24.0 11.0 -32.4