==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-02 1O8U . COMPND 2 MOLECULE: 6-OXO CAMPHOR HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RHODOCOCCUS ERYTHROPOLIS; . AUTHOR G.GROGAN,J.L.WHITTINGHAM,J.P.TURKENBURG,C.S.VERMA,M.A.WALSH . 1489 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1148 77.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 162 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 5.6 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 . 18 1.2 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 . 105 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 576 38.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 1.6 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 12 0 1 5 0 6 6 6 0 1 0 1 9 1 0 0 6 0 0 1 4 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 6 6 12 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 . 12 6 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 6 0 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 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 L 0 0 91 0, 0.0 2,-0.1 0, 0.0 756,-0.0 0.000 360.0 360.0 360.0 142.6 20.3 66.4 53.7 2 5 A A - 0 0 43 1,-0.1 49,-0.0 52,-0.1 53,-0.0 -0.453 360.0 -94.8 -77.7 153.2 16.5 66.1 53.2 3 6 A T - 0 0 74 -2,-0.1 -1,-0.1 1,-0.1 51,-0.0 -0.563 48.2-120.2 -65.5 123.4 14.0 68.2 55.1 4 7 A P >> - 0 0 85 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.300 12.8-119.8 -65.2 151.4 12.9 66.1 58.1 5 8 A F H 3> S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 111.6 63.4 -55.0 -42.6 9.1 65.2 58.5 6 9 A Q H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.834 112.2 37.6 -54.3 -34.4 9.0 67.0 61.9 7 10 A E H X4 S+ 0 0 56 -3,-0.6 3,-1.7 2,-0.1 -2,-0.2 0.964 118.7 42.1 -78.0 -59.7 9.8 70.3 60.1 8 11 A Y H >< S+ 0 0 2 -4,-2.1 3,-1.4 1,-0.3 4,-0.3 0.736 100.3 72.1 -69.4 -22.9 7.9 70.1 56.8 9 12 A S T 3< S+ 0 0 7 -4,-2.4 8,-0.6 1,-0.3 -1,-0.3 0.691 107.0 37.1 -63.9 -19.4 4.8 68.7 58.4 10 13 A Q T < S+ 0 0 153 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.256 94.5 86.6-113.2 10.6 4.1 72.1 60.0 11 14 A K S < S+ 0 0 68 -3,-1.4 2,-0.6 -4,-0.1 -2,-0.1 0.608 73.5 74.0 -93.0 -6.0 5.2 74.4 57.2 12 15 A Y > - 0 0 26 3,-0.4 3,-1.1 -4,-0.3 -1,-0.1 -0.894 54.7-164.2-119.1 114.1 2.0 74.6 55.1 13 16 A E T 3 S+ 0 0 136 -2,-0.6 18,-0.5 1,-0.2 -1,-0.1 0.724 95.8 40.7 -69.3 -19.3 -1.0 76.7 56.2 14 17 A N T 3 S+ 0 0 7 1,-0.2 15,-2.1 16,-0.1 2,-0.4 0.292 109.4 64.4-107.9 3.1 -3.3 74.9 53.7 15 18 A I E < -A 28 0A 2 -3,-1.1 -3,-0.4 13,-0.2 2,-0.3 -0.922 62.5-159.7-136.2 112.7 -2.0 71.3 54.0 16 19 A R E -A 27 0A 88 11,-3.1 11,-2.3 -2,-0.4 2,-0.4 -0.677 11.4-163.7 -86.1 138.7 -2.2 69.2 57.1 17 20 A L E +A 26 0A 7 -8,-0.6 2,-0.4 -2,-0.3 9,-0.2 -0.964 15.1 166.5-132.9 111.6 0.3 66.4 57.2 18 21 A E E -A 25 0A 99 7,-2.2 7,-3.3 -2,-0.4 2,-0.4 -0.997 12.9-165.5-131.5 131.6 -0.2 63.5 59.7 19 22 A R E +A 24 0A 63 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.951 12.3 169.0-127.6 136.2 1.7 60.2 59.5 20 23 A D E > S-A 23 0A 86 3,-2.0 3,-2.1 -2,-0.4 -2,-0.0 -0.956 75.5 -9.1-147.6 125.6 1.0 56.9 61.2 21 24 A G T 3 S- 0 0 55 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.777 129.2 -57.7 59.5 27.3 2.7 53.6 60.5 22 25 A G T 3 S+ 0 0 12 1,-0.3 37,-2.8 37,-0.1 38,-1.3 0.418 108.9 126.3 80.5 -1.2 4.2 55.2 57.5 23 26 A V E < -Ab 20 60A 0 -3,-2.1 -3,-2.0 36,-0.2 2,-0.6 -0.799 49.4-152.6 -83.8 120.5 0.9 56.2 56.0 24 27 A L E -Ab 19 61A 0 36,-3.0 38,-2.9 -2,-0.6 2,-0.6 -0.869 3.8-158.0-101.0 119.8 0.9 59.9 55.3 25 28 A L E -Ab 18 62A 13 -7,-3.3 -7,-2.2 -2,-0.6 2,-0.6 -0.896 6.4-166.7 -96.1 118.0 -2.5 61.6 55.4 26 29 A V E -Ab 17 63A 0 36,-3.3 38,-2.6 -2,-0.6 2,-0.5 -0.950 7.0-174.6-109.9 111.1 -2.4 64.9 53.4 27 30 A T E -Ab 16 64A 9 -11,-2.3 -11,-3.1 -2,-0.6 2,-0.3 -0.944 11.3-152.2-113.2 116.6 -5.5 67.0 54.2 28 31 A V E +A 15 0A 4 36,-2.6 7,-0.5 -2,-0.5 38,-0.3 -0.690 32.5 143.9 -89.7 140.1 -5.9 70.2 52.2 29 32 A H - 0 0 22 -15,-2.1 2,-0.4 -2,-0.3 5,-0.2 -0.983 48.0-127.5-162.4 164.4 -7.9 72.9 53.9 30 33 A T B > S-F 33 0B 30 3,-2.3 3,-2.3 -2,-0.3 -16,-0.1 -0.969 96.0 -27.0-123.5 108.1 -8.4 76.7 54.6 31 34 A E T 3 S- 0 0 180 -18,-0.5 3,-0.1 -2,-0.4 -17,-0.1 0.837 124.4 -54.4 55.2 36.5 -8.5 77.4 58.3 32 35 A G T 3 S+ 0 0 32 1,-0.3 -1,-0.3 35,-0.0 2,-0.2 0.446 122.8 101.0 76.8 3.5 -9.8 73.9 58.9 33 36 A K B < S-F 30 0B 146 -3,-2.3 -3,-2.3 1,-0.2 -1,-0.3 -0.538 91.0 -54.9-103.2 176.3 -12.7 74.4 56.5 34 37 A S S S- 0 0 12 -5,-0.2 -1,-0.2 -2,-0.2 -5,-0.2 -0.199 74.6 -89.9 -53.4 137.6 -12.9 73.1 52.8 35 38 A L - 0 0 2 35,-0.8 38,-0.6 -7,-0.5 2,-0.5 -0.276 32.5-154.9 -56.2 132.1 -9.9 74.3 50.8 36 39 A V E -g 73 0C 33 35,-0.1 38,-0.2 -3,-0.1 5,-0.2 -0.960 27.5-121.2-102.1 119.3 -10.2 77.6 48.9 37 40 A W E +g 74 0C 11 36,-2.8 38,-2.9 -2,-0.5 2,-0.3 -0.440 47.4 153.7 -64.4 129.3 -7.9 77.6 46.0 38 41 A T > - 0 0 22 -2,-0.2 4,-2.5 36,-0.2 5,-0.2 -0.950 60.3 -98.4-145.0 169.1 -5.3 80.4 46.1 39 42 A S H > S+ 0 0 34 36,-0.3 4,-2.3 -2,-0.3 5,-0.3 0.913 124.6 53.6 -53.6 -42.8 -1.9 81.2 44.8 40 43 A T H > S+ 0 0 66 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.944 109.5 45.0 -58.8 -49.1 -0.6 80.2 48.3 41 44 A A H > S+ 0 0 1 -5,-0.2 4,-2.4 2,-0.2 5,-0.2 0.889 111.5 54.7 -62.1 -42.7 -2.3 76.8 48.2 42 45 A H H X S+ 0 0 8 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.947 114.9 37.8 -56.6 -53.0 -1.1 76.2 44.6 43 46 A D H X S+ 0 0 48 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.848 112.4 57.9 -70.9 -36.6 2.6 76.8 45.5 44 47 A E H X S+ 0 0 25 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.923 106.4 50.0 -59.4 -43.4 2.4 75.1 48.9 45 48 A L H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.912 108.2 53.2 -64.5 -37.4 1.2 71.9 47.2 46 49 A A H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.2 -2,-0.2 0.953 114.8 40.5 -60.2 -45.2 4.1 72.1 44.7 47 50 A Y H X S+ 0 0 79 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.901 114.9 51.9 -69.4 -42.8 6.6 72.4 47.6 48 51 A C H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.903 105.1 54.0 -62.5 -43.3 4.9 69.9 49.8 49 52 A F H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.898 109.1 51.1 -61.7 -38.3 4.8 67.2 47.0 50 53 A H H X S+ 0 0 30 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.930 111.0 47.2 -61.6 -45.7 8.6 67.7 46.7 51 54 A D H X S+ 0 0 21 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.918 112.7 49.3 -61.9 -42.3 9.1 67.2 50.5 52 55 A I H >< S+ 0 0 4 -4,-2.8 3,-0.9 1,-0.2 6,-0.3 0.916 110.2 51.8 -64.0 -41.7 6.9 64.1 50.5 53 56 A A H 3< S+ 0 0 10 -4,-2.2 52,-0.3 1,-0.2 -1,-0.2 0.857 110.0 48.7 -64.8 -37.0 8.8 62.7 47.5 54 57 A C H 3< S+ 0 0 21 -4,-1.9 2,-0.8 -5,-0.1 -1,-0.2 0.504 94.4 80.9 -82.8 -6.7 12.2 63.1 49.2 55 58 A D X< - 0 0 17 -3,-0.9 3,-1.8 -4,-0.6 -1,-0.1 -0.852 59.7-169.5-107.0 103.8 11.1 61.6 52.5 56 59 A R T 3 S+ 0 0 74 -2,-0.8 -1,-0.1 1,-0.3 -4,-0.0 0.523 77.0 77.3 -79.1 -2.3 11.4 57.8 52.1 57 60 A E T 3 S+ 0 0 137 2,-0.0 2,-0.9 -5,-0.0 -1,-0.3 0.545 71.3 94.8 -78.8 -7.8 9.6 57.2 55.4 58 61 A N < + 0 0 3 -3,-1.8 -35,-0.2 -6,-0.3 3,-0.1 -0.766 52.9 175.5 -77.5 110.9 6.4 58.0 53.6 59 62 A K - 0 0 80 -37,-2.8 2,-0.3 -2,-0.9 -36,-0.2 0.784 65.6 -2.5 -88.9 -29.8 5.3 54.5 52.6 60 63 A V E -b 23 0A 0 -38,-1.3 -36,-3.0 46,-0.2 2,-0.4 -0.957 68.6-136.2-161.8 146.0 1.9 55.5 51.1 61 64 A V E -bc 24 108A 5 46,-2.2 48,-3.2 -2,-0.3 2,-0.5 -0.936 7.7-165.0-113.6 135.2 0.1 58.8 50.6 62 65 A I E -bc 25 109A 0 -38,-2.9 -36,-3.3 -2,-0.4 2,-0.5 -0.993 12.3-163.3-111.0 124.2 -3.6 59.5 51.2 63 66 A L E +bc 26 110A 6 46,-3.0 48,-2.8 -2,-0.5 2,-0.3 -0.928 24.9 145.2-107.7 129.1 -4.7 62.8 49.7 64 67 A T E -bc 27 111A 2 -38,-2.6 -36,-2.6 -2,-0.5 48,-0.2 -0.928 35.9-135.7-154.4 165.8 -8.0 64.3 50.9 65 68 A G - 0 0 6 46,-0.7 2,-0.3 -2,-0.3 5,-0.2 -0.339 26.3-116.9-107.4-157.4 -9.9 67.4 51.7 66 69 A T B > +H 69 0D 38 3,-0.6 3,-0.6 -38,-0.3 -31,-0.2 -0.995 62.2 3.6-150.5 143.0 -12.2 68.3 54.6 67 70 A G T 3 S- 0 0 42 -2,-0.3 -2,-0.1 1,-0.2 -34,-0.1 -0.303 114.3 -27.2 79.9-163.1 -15.8 69.2 55.1 68 71 A P T 3 S+ 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.726 126.6 43.1 -61.3 -24.8 -18.5 69.3 52.4 69 72 A S B < -H 66 0D 13 -3,-0.6 -3,-0.6 45,-0.2 -34,-0.3 -0.893 57.6-152.4-123.8 148.0 -16.0 70.1 49.5 70 73 A F S S- 0 0 11 45,-1.7 -35,-0.8 -2,-0.3 -4,-0.3 0.923 93.0 -35.6 -75.2 -56.2 -12.6 68.8 48.4 71 74 A C B S+i 116 0E 1 44,-2.0 46,-2.6 -37,-0.1 47,-1.4 -0.556 78.4 145.2-164.9 101.4 -12.0 72.2 46.8 72 75 A N + 0 0 60 -37,-0.5 2,-0.3 44,-0.2 -36,-0.1 0.132 56.3 69.9-128.5 22.2 -14.8 74.1 45.1 73 76 A E E -g 36 0C 103 -38,-0.6 -36,-2.8 45,-0.1 2,-0.4 -0.981 56.3-169.9-132.1 148.6 -14.1 77.8 45.8 74 77 A I E -g 37 0C 49 -2,-0.3 2,-0.8 -38,-0.2 -36,-0.2 -0.992 19.7-144.2-138.0 140.9 -11.3 79.8 44.3 75 78 A D > - 0 0 61 -38,-2.9 3,-1.5 -2,-0.4 -36,-0.3 -0.843 17.1-178.3-104.5 92.3 -10.0 83.2 45.2 76 79 A F G > S+ 0 0 96 -2,-0.8 3,-1.8 1,-0.2 -1,-0.2 0.797 76.6 69.2 -58.3 -30.4 -9.0 84.7 41.8 77 80 A T G 3 S+ 0 0 121 1,-0.3 -1,-0.2 -3,-0.1 -39,-0.1 0.750 87.5 68.0 -66.0 -17.7 -7.8 87.9 43.5 78 81 A S G < S+ 0 0 38 -3,-1.5 2,-0.3 -41,-0.2 -1,-0.3 0.593 93.5 70.4 -74.9 -10.6 -4.9 85.9 45.0 79 82 A F S < S- 0 0 25 -3,-1.8 2,-0.6 -4,-0.2 7,-0.0 -0.846 73.7-138.8-108.3 148.2 -3.3 85.4 41.6 80 83 A N + 0 0 107 -2,-0.3 10,-0.2 6,-0.2 3,-0.1 -0.925 34.4 160.3-105.4 110.0 -1.5 87.9 39.3 81 84 A L + 0 0 62 -2,-0.6 -1,-0.1 1,-0.1 -5,-0.0 0.162 45.1 82.1-117.8 12.7 -2.8 87.0 35.8 82 85 A G S S+ 0 0 50 166,-0.1 167,-0.1 167,-0.1 -1,-0.1 0.714 83.1 44.1-103.6 -24.3 -2.1 90.1 33.6 83 86 A T S > S- 0 0 46 -3,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.842 76.4-115.9-120.6 158.4 1.5 90.1 32.5 84 87 A P H > S+ 0 0 7 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.885 113.1 51.7 -58.4 -40.1 4.0 87.5 31.1 85 88 A H H > S+ 0 0 90 2,-0.2 4,-0.9 1,-0.2 1155,-0.0 0.854 110.3 48.8 -75.7 -26.3 6.4 87.6 34.0 86 89 A D H >> S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 3,-0.5 0.910 111.0 51.3 -68.7 -42.9 3.6 87.1 36.5 87 90 A W H 3X S+ 0 0 8 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.845 100.9 62.8 -60.0 -31.0 2.4 84.2 34.3 88 91 A D H 3X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.862 99.1 54.2 -66.5 -29.3 6.0 82.8 34.4 89 92 A E H < S+ 0 0 6 -4,-1.5 3,-1.3 -5,-0.4 -2,-0.2 0.942 111.6 46.2 -54.7 -50.3 3.3 65.0 42.4 102 105 A L H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.713 103.6 64.4 -69.3 -21.0 4.5 62.5 39.7 103 106 A S H 3< S+ 0 0 38 -4,-1.3 2,-0.3 -3,-0.2 -1,-0.2 0.616 73.5 108.8 -80.3 -8.8 7.9 62.4 41.4 104 107 A I << - 0 0 4 -3,-1.3 -51,-0.1 -4,-0.6 4,-0.1 -0.552 59.0-159.0 -62.7 122.8 6.4 60.8 44.5 105 108 A E + 0 0 30 -2,-0.3 115,-0.2 -52,-0.3 114,-0.2 -0.108 62.3 72.1-105.3 32.2 7.6 57.2 44.4 106 109 A V S S- 0 0 13 113,-0.1 -46,-0.2 112,-0.1 110,-0.1 -0.943 97.1 -79.2-128.3 162.0 5.1 55.5 46.6 107 110 A P - 0 0 0 0, 0.0 -46,-2.2 0, 0.0 2,-0.4 -0.282 42.1-147.7 -58.9 142.0 1.4 54.8 45.8 108 111 A V E -c 61 0A 2 -48,-0.2 19,-1.6 17,-0.1 20,-1.5 -0.965 8.2-164.0-117.9 125.0 -1.0 57.7 46.2 109 112 A I E -cd 62 128A 0 -48,-3.2 -46,-3.0 -2,-0.4 2,-0.4 -0.945 8.2-152.2-107.1 125.3 -4.6 57.2 47.2 110 113 A A E -cd 63 129A 0 18,-3.1 20,-2.6 -2,-0.5 2,-0.4 -0.817 7.6-168.5 -91.9 142.6 -7.2 60.0 46.7 111 114 A A E -cd 64 130A 0 -48,-2.8 2,-1.0 -2,-0.4 -46,-0.7 -0.875 10.1-161.1-126.7 94.5 -10.2 60.3 49.0 112 115 A V E - d 0 131A 0 18,-3.1 20,-2.8 -2,-0.4 23,-0.2 -0.674 8.5-175.5 -86.9 106.5 -12.4 62.8 47.3 113 116 A N - 0 0 6 -2,-1.0 21,-0.2 18,-0.2 -1,-0.2 0.542 60.1 -33.9 -84.8 -8.3 -14.7 64.0 50.1 114 117 A G S S- 0 0 0 22,-0.1 22,-0.3 19,-0.1 -45,-0.2 -0.961 99.6 -8.1 175.1-166.8 -17.0 66.2 48.0 115 118 A P - 0 0 29 0, 0.0 -44,-2.0 0, 0.0 -45,-1.7 -0.075 48.6-171.9 -52.9 139.3 -17.0 68.6 45.0 116 119 A V B +ij 71 137E 0 20,-1.9 22,-1.6 -46,-0.2 -44,-0.2 -0.980 21.7 153.4-132.3 124.1 -13.7 69.6 43.4 117 120 A T + 0 0 23 -46,-2.6 2,-0.5 -2,-0.4 -45,-0.2 0.391 60.4 72.8-122.3 -10.8 -13.6 72.3 40.7 118 121 A N S S- 0 0 7 -47,-1.4 -1,-0.1 1,-0.2 21,-0.1 -0.950 121.2 -17.9-116.6 130.3 -10.1 73.6 41.1 119 122 A H S > S+ 0 0 18 -2,-0.5 3,-1.5 1,-0.1 -1,-0.2 0.900 77.3 166.2 38.3 55.3 -7.3 71.4 39.9 120 123 A P T 3> + 0 0 0 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.698 64.5 72.5 -68.6 -14.1 -9.6 68.5 39.9 121 124 A E H 3> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 -2,-0.1 0.791 80.9 73.8 -71.5 -22.9 -7.0 66.6 37.9 122 125 A I H X4 S+ 0 0 7 -3,-1.5 3,-1.2 1,-0.2 4,-0.3 0.956 98.7 41.9 -55.7 -57.5 -4.8 66.3 41.0 123 126 A P H >4 S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.882 111.6 55.4 -61.2 -34.7 -6.8 63.6 42.8 124 127 A V H 3< S+ 0 0 0 -4,-1.0 -2,-0.2 1,-0.3 -3,-0.1 0.616 93.7 69.3 -78.6 -6.1 -7.5 61.7 39.6 125 128 A M T << S+ 0 0 4 -3,-1.2 -1,-0.3 -4,-1.1 -3,-0.1 0.526 81.9 108.6 -76.3 -7.3 -3.7 61.4 39.0 126 129 A S S < S- 0 0 1 -3,-1.5 -17,-0.2 -4,-0.3 3,-0.1 -0.267 79.1-126.7 -68.4 157.4 -3.7 59.1 42.0 127 130 A D S S+ 0 0 0 -19,-1.6 2,-0.4 1,-0.2 -18,-0.2 0.759 101.1 28.1 -74.4 -30.0 -3.1 55.3 41.7 128 131 A I E S-d 109 0A 0 -20,-1.5 -18,-3.1 537,-0.1 2,-0.5 -0.997 75.4-163.3-131.5 132.9 -6.3 54.6 43.6 129 132 A V E -d 110 0A 0 -2,-0.4 59,-3.0 -20,-0.2 60,-1.5 -0.953 7.9-179.8-125.9 113.0 -9.2 57.0 43.6 130 133 A L E -de 111 189A 0 -20,-2.6 -18,-3.1 -2,-0.5 2,-0.4 -0.875 7.3-168.7-108.2 143.6 -12.0 56.8 46.2 131 134 A A E -de 112 190A 0 58,-2.5 60,-2.6 -2,-0.4 -18,-0.2 -0.993 20.5-127.6-133.3 139.2 -15.0 59.2 46.2 132 135 A A E > - 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0 0 41 -2,-0.3 4,-1.3 -60,-0.2 3,-0.2 -0.323 46.4-106.4 -64.4 164.1 45.5 48.0 7.6 1438 196 F E H >> S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.933 122.4 51.1 -62.4 -40.8 43.9 44.8 6.2 1439 197 F Q H 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.850 112.1 45.6 -60.2 -40.1 46.4 42.7 8.1 1440 198 F E H 3> S+ 0 0 103 -3,-0.2 4,-2.3 1,-0.1 5,-0.2 0.633 93.4 84.8 -77.6 -16.6 45.7 44.5 11.4 1441 199 F L H S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.902 111.2 46.9 -50.7 -41.1 43.7 40.8 15.1 1444 202 F R H X S+ 0 0 62 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.887 109.9 52.1 -67.1 -40.6 42.3 44.1 16.4 1445 203 F A H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.929 112.2 47.0 -60.8 -40.7 38.7 42.8 16.3 1446 204 F W H X S+ 0 0 58 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.902 109.7 52.8 -66.3 -40.7 39.9 39.8 18.3 1447 205 F E H X S+ 0 0 122 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.934 113.3 42.5 -63.8 -47.0 41.8 41.9 20.8 1448 206 F L H X S+ 0 0 23 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.911 115.2 51.1 -64.1 -40.4 38.7 44.1 21.5 1449 207 F A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.885 107.9 51.0 -65.4 -42.7 36.4 41.1 21.6 1450 208 F R H X S+ 0 0 96 -4,-2.9 4,-1.0 1,-0.2 -1,-0.2 0.929 110.1 51.3 -64.1 -38.8 38.6 39.2 24.1 1451 209 F G H >< S+ 0 0 23 -4,-1.9 3,-0.6 -5,-0.2 4,-0.5 0.921 112.3 44.9 -61.2 -45.7 38.7 42.2 26.4 1452 210 F I H >< S+ 0 0 8 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.886 107.3 59.4 -62.7 -42.3 34.9 42.6 26.3 1453 211 F A H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.740 97.6 61.8 -63.1 -22.1 34.5 38.9 26.9 1454 212 F E T << S+ 0 0 155 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.671 83.3 99.4 -77.2 -21.3 36.4 39.1 30.1 1455 213 F K S < S- 0 0 47 -3,-1.4 5,-0.1 -4,-0.5 -566,-0.0 -0.325 91.1 -79.9 -65.9 158.2 33.9 41.4 31.7 1456 214 F P > - 0 0 44 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.181 45.3-108.4 -54.4 148.4 31.3 40.0 34.1 1457 215 F L H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 113.9 37.6 -48.4 -60.3 28.3 38.3 32.5 1458 216 F L H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.764 112.9 58.0 -71.1 -23.6 25.5 40.9 33.3 1459 217 F A H > S+ 0 0 1 -3,-0.3 4,-1.4 -469,-0.2 -1,-0.2 0.930 109.7 44.1 -68.4 -45.7 27.8 43.9 32.7 1460 218 F R H X S+ 0 0 11 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.938 119.0 43.7 -59.8 -50.9 28.5 42.7 29.1 1461 219 F R H X S+ 0 0 15 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.934 115.9 44.1 -65.0 -48.7 24.9 41.9 28.5 1462 220 F Y H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.718 104.5 63.8 -78.4 -17.5 23.3 45.0 29.9 1463 221 F A H X S+ 0 0 0 -4,-1.4 4,-1.3 -5,-0.2 -1,-0.2 0.935 106.7 45.3 -66.2 -45.1 25.9 47.3 28.3 1464 222 F R H X S+ 0 0 3 -4,-1.4 4,-0.8 -114,-0.2 3,-0.3 0.941 114.3 49.6 -61.9 -44.7 24.6 46.3 25.0 1465 223 F K H >< S+ 0 0 16 -4,-1.8 3,-0.7 1,-0.2 4,-0.2 0.915 112.1 45.1 -61.3 -47.6 21.0 46.6 26.2 1466 224 F V H 3< S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.734 112.3 54.4 -73.6 -17.9 21.3 50.1 27.7 1467 225 F L H 3< S+ 0 0 14 -4,-1.3 4,-0.2 -3,-0.3 -1,-0.2 0.575 103.5 52.4 -88.7 -14.4 23.2 51.3 24.6 1468 226 F T S S+ 0 0 8 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.1 0.915 81.7 44.5 -53.9 -50.4 17.6 52.0 23.3 1470 228 F Q H > S+ 0 0 52 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.913 112.9 49.9 -70.8 -40.2 17.4 54.9 20.8 1471 229 F L H > S+ 0 0 4 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.929 111.2 50.7 -61.8 -40.3 18.1 52.8 17.7 1472 230 F R H X S+ 0 0 64 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.906 110.1 50.3 -65.0 -38.6 15.4 50.3 18.7 1473 231 F R H X S+ 0 0 55 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.956 114.4 42.6 -64.4 -48.7 12.9 53.1 19.2 1474 232 F V H X S+ 0 0 11 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.877 113.0 52.8 -69.2 -34.4 13.5 54.6 15.8 1475 233 F M H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 5,-0.4 0.939 110.9 47.2 -63.1 -45.5 13.6 51.3 14.1 1476 234 F E H < S+ 0 0 29 -4,-2.3 4,-0.3 -5,-0.2 -2,-0.2 0.917 115.6 47.2 -63.0 -38.8 10.2 50.3 15.6 1477 235 F A H < S+ 0 0 19 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.905 129.0 15.6 -68.2 -39.3 8.8 53.7 14.6 1478 236 F D H X S+ 0 0 5 -4,-2.4 4,-1.8 -5,-0.1 -3,-0.2 0.622 98.1 82.7-121.0 -17.6 10.1 53.8 11.0 1479 237 F L H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.3 3,-0.2 0.958 96.6 43.5 -61.5 -56.3 11.3 50.5 9.5 1480 238 F S H > S+ 0 0 20 -5,-0.4 4,-2.3 -4,-0.3 5,-0.2 0.874 112.5 54.3 -58.9 -39.0 7.9 49.0 8.4 1481 239 F L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 110.0 47.9 -58.0 -42.9 6.8 52.3 7.0 1482 240 F G H X S+ 0 0 0 -4,-1.8 4,-2.6 -3,-0.2 -2,-0.2 0.923 111.9 48.8 -64.7 -42.3 10.0 52.4 4.9 1483 241 F L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.889 109.8 49.7 -68.2 -40.9 9.6 48.8 3.7 1484 242 F A H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.920 113.9 46.5 -67.5 -44.4 6.0 49.2 2.6 1485 243 F H H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.936 111.0 51.7 -62.8 -46.6 6.8 52.3 0.7 1486 244 F E H X S+ 0 0 14 -4,-2.6 4,-2.3 1,-0.2 -93,-0.3 0.906 111.5 48.6 -54.9 -41.2 9.9 50.8 -0.9 1487 245 F A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.920 109.7 51.0 -65.3 -47.0 7.7 47.8 -2.0 1488 246 F L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.947 113.7 44.8 -56.7 -47.2 5.0 50.0 -3.4 1489 247 F A H X S+ 0 0 6 -4,-2.5 4,-0.8 1,-0.2 -279,-0.3 0.896 113.1 50.0 -65.3 -40.6 7.5 52.0 -5.4 1490 248 F A H >< S+ 0 0 12 -4,-2.3 3,-0.7 -5,-0.2 4,-0.5 0.898 109.0 51.2 -67.3 -40.9 9.3 48.9 -6.7 1491 249 F I H >< S+ 0 0 18 -4,-2.6 3,-1.3 1,-0.3 -1,-0.2 0.874 103.5 60.5 -64.2 -38.3 6.2 47.2 -7.8 1492 250 F D H 3< S+ 0 0 45 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.758 89.3 72.3 -57.5 -30.5 5.3 50.4 -9.7 1493 251 F L T << 0 0 92 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.841 360.0 360.0 -55.9 -33.2 8.4 49.9 -11.7 1494 252 F G < 0 0 107 -3,-1.3 -3,-0.0 -4,-0.5 -167,-0.0 -0.203 360.0 360.0 -95.7 360.0 6.9 46.9 -13.6