==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUN-10 3NON . COMPND 2 MOLECULE: ISOCYANIDE HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.LAKSHMINARASIMHAN,P.MADZELAN,R.NAN,N.M.MILKOVIC,M.A.WILSON . 456 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 20 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 14.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 0 2 0 0 2 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 4 2 4 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 PARALLEL BRIDGES PER LADDER . 0 0 0 4 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 . 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 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 2 A A 0 0 83 0, 0.0 2,-0.5 0, 0.0 29,-0.3 0.000 360.0 360.0 360.0 153.6 -13.2 24.2 7.4 2 3 A V E -a 30 0A 16 27,-2.9 29,-2.7 26,-0.2 2,-0.7 -0.653 360.0-144.6 -69.6 121.2 -12.5 21.8 10.2 3 4 A Q E -a 31 0A 23 -2,-0.5 60,-2.1 27,-0.2 61,-2.0 -0.828 20.5-176.4 -94.8 112.2 -11.2 24.0 13.1 4 5 A I E -ab 32 64A 0 27,-2.4 29,-2.9 -2,-0.7 2,-0.4 -0.933 2.0-170.3-115.0 124.8 -8.6 22.2 15.0 5 6 A G E -ab 33 65A 0 59,-2.8 61,-2.5 -2,-0.5 2,-0.4 -0.971 9.0-165.3-125.4 128.7 -7.1 23.8 18.1 6 7 A F E -ab 34 66A 0 27,-2.7 29,-3.1 -2,-0.4 2,-0.6 -0.912 25.6-125.9-102.0 133.9 -4.1 22.7 20.2 7 8 A L E -a 35 0A 1 59,-2.1 2,-0.6 -2,-0.4 29,-0.2 -0.720 25.7-163.0 -76.6 121.7 -3.5 24.2 23.7 8 9 A L + 0 0 0 27,-2.7 44,-0.1 -2,-0.6 26,-0.0 -0.924 19.7 167.5-110.8 107.9 0.0 25.6 23.6 9 10 A F > - 0 0 1 -2,-0.6 3,-1.6 27,-0.1 63,-0.1 -0.844 42.9 -82.0-125.6 155.1 1.3 26.2 27.1 10 11 A P T 3 S+ 0 0 65 0, 0.0 34,-0.2 0, 0.0 -1,-0.1 -0.280 115.3 18.1 -54.0 136.4 4.6 27.0 28.8 11 12 A E T 3 S+ 0 0 84 32,-2.7 61,-2.4 1,-0.2 60,-0.3 0.681 86.4 161.7 70.4 23.5 6.6 23.9 29.4 12 13 A V < - 0 0 0 -3,-1.6 33,-3.0 31,-0.3 2,-1.0 -0.372 51.4-115.9 -61.4 148.8 4.7 21.8 26.9 13 14 A Q >> - 0 0 32 56,-2.9 3,-1.6 31,-0.2 4,-0.5 -0.817 35.1-151.4 -82.3 101.3 6.4 18.6 25.6 14 15 A Q H >> S+ 0 0 0 -2,-1.0 4,-3.0 1,-0.3 3,-1.8 0.813 85.5 59.7 -61.1 -35.0 6.6 20.0 22.1 15 16 A L H 3> S+ 0 0 2 1,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.800 94.7 66.7 -64.6 -23.8 6.5 16.7 20.1 16 17 A D H <4 S+ 0 0 0 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.794 116.5 27.3 -58.8 -30.7 3.1 16.0 21.8 17 18 A L H S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.868 112.8 60.4 -57.9 -35.4 -0.1 15.7 15.6 21 22 A H H X S+ 0 0 7 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.932 106.0 44.7 -61.1 -46.2 0.1 19.2 14.1 22 23 A D H < S+ 0 0 2 -4,-2.1 4,-0.5 -3,-0.2 -1,-0.2 0.819 115.5 49.8 -72.3 -26.0 2.1 18.1 11.0 23 24 A V H >< S+ 0 0 0 -4,-1.7 3,-0.9 -5,-0.2 -2,-0.2 0.971 118.8 36.3 -66.0 -54.5 -0.3 15.1 10.6 24 25 A L H >< S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.866 109.4 59.9 -74.8 -35.9 -3.5 17.1 10.9 25 26 A A T 3< S+ 0 0 29 -4,-2.9 -1,-0.3 -5,-0.3 5,-0.1 0.669 95.9 67.8 -65.4 -16.1 -2.3 20.3 9.0 26 27 A S T < S+ 0 0 35 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.466 83.7 100.8 -75.2 -12.5 -1.7 17.9 6.0 27 28 A L S X S- 0 0 10 -3,-1.9 3,-0.6 -4,-0.1 -3,-0.0 -0.480 79.6-106.7 -84.3 151.2 -5.5 17.4 5.7 28 29 A P T 3 S+ 0 0 47 0, 0.0 -26,-0.2 0, 0.0 -1,-0.1 -0.366 96.1 11.8 -67.3 147.1 -7.8 19.0 3.2 29 30 A D T 3 S+ 0 0 123 1,-0.2 -27,-2.9 -28,-0.1 2,-0.3 0.859 94.1 125.3 58.4 46.3 -10.2 21.7 4.5 30 31 A V E < -a 2 0A 26 -3,-0.6 2,-0.4 -29,-0.3 -27,-0.2 -0.952 43.4-158.7-130.2 157.6 -8.7 22.3 8.0 31 32 A Q E -a 3 0A 110 -29,-2.7 -27,-2.4 -2,-0.3 2,-0.5 -0.972 16.5-154.0-134.6 120.5 -7.5 25.3 9.9 32 33 A V E -a 4 0A 33 -2,-0.4 2,-0.3 -29,-0.2 -27,-0.2 -0.850 8.6-165.3-106.9 130.1 -5.2 24.7 12.8 33 34 A H E -a 5 0A 31 -29,-2.9 -27,-2.7 -2,-0.5 2,-0.6 -0.861 16.4-150.1-113.4 146.0 -4.8 27.0 15.8 34 35 A L E -a 6 0A 3 -2,-0.3 19,-2.2 -29,-0.2 20,-1.6 -0.963 30.6-159.4-115.4 108.5 -2.2 27.2 18.6 35 36 A I E +ac 7 54A 0 -29,-3.1 -27,-2.7 -2,-0.6 2,-0.2 -0.773 26.5 139.5-107.0 128.8 -4.0 28.6 21.6 36 37 A W E - c 0 55A 37 18,-2.3 20,-0.6 -2,-0.5 -27,-0.1 -0.809 67.7 -79.4-144.1-169.5 -2.8 30.3 24.7 37 38 A K S S+ 0 0 74 -2,-0.2 20,-0.2 18,-0.2 19,-0.2 0.797 117.2 4.6 -68.5 -26.9 -4.0 33.2 26.9 38 39 A E S S- 0 0 139 16,-0.2 16,-0.2 17,-0.2 -1,-0.2 -0.964 88.9 -99.4-145.0 153.0 -2.5 35.6 24.3 39 40 A P S S+ 0 0 68 0, 0.0 14,-0.2 0, 0.0 16,-0.1 -0.378 77.4 74.1 -65.1 156.6 -0.8 35.1 20.9 40 41 A G E S-G 52 0B 14 12,-2.1 12,-2.9 -2,-0.0 14,-0.1 -0.748 82.8 -14.8 128.7-175.5 3.0 35.1 21.0 41 42 A P E -G 51 0B 89 0, 0.0 2,-0.4 0, 0.0 10,-0.2 -0.313 47.2-177.8 -68.9 139.8 6.0 33.0 22.0 42 43 A V E -G 50 0B 7 8,-2.7 8,-3.0 -33,-0.1 2,-0.5 -0.998 20.5-137.5-134.5 125.7 5.5 30.0 24.3 43 44 A V E -G 49 0B 73 -2,-0.4 -32,-2.7 6,-0.2 -31,-0.3 -0.777 14.1-141.9 -96.9 125.9 8.6 28.1 25.3 44 45 A A > - 0 0 3 4,-2.9 3,-2.2 -2,-0.5 -31,-0.2 -0.217 33.5 -96.2 -75.4 168.4 8.5 24.3 25.4 45 46 A S T 3 S+ 0 0 36 -33,-3.0 -32,-0.1 1,-0.3 -1,-0.1 0.769 125.1 52.7 -61.3 -25.6 10.2 22.1 28.0 46 47 A S T 3 S- 0 0 37 -34,-0.4 -1,-0.3 2,-0.1 3,-0.1 0.483 121.3-104.3 -83.1 -6.9 13.2 21.7 25.7 47 48 A G S < S+ 0 0 45 -3,-2.2 2,-0.2 1,-0.4 -2,-0.1 0.302 75.4 142.0 92.0 -8.1 13.7 25.4 25.2 48 49 A L - 0 0 5 -5,-0.1 -4,-2.9 1,-0.1 2,-0.5 -0.493 48.6-133.1 -63.0 133.8 12.2 25.2 21.7 49 50 A V E -G 43 0B 24 233,-0.3 233,-0.4 -6,-0.2 2,-0.2 -0.804 26.3-178.5 -97.0 126.1 10.1 28.4 21.1 50 51 A L E -G 42 0B 0 -8,-3.0 -8,-2.7 -2,-0.5 2,-0.5 -0.680 21.0-126.2-111.3 169.6 6.6 28.0 19.6 51 52 A Q E -G 41 0B 49 229,-0.4 2,-0.3 -10,-0.2 229,-0.3 -0.972 8.2-141.5-125.0 120.6 4.1 30.7 18.7 52 53 A A E -G 40 0B 4 -12,-2.9 -12,-2.1 -2,-0.5 -17,-0.2 -0.625 10.4-162.3 -73.5 134.4 0.5 30.8 19.9 53 54 A T + 0 0 78 -19,-2.2 2,-0.3 -2,-0.3 -18,-0.2 0.583 66.1 21.3 -93.9 -16.4 -1.7 32.1 17.0 54 55 A T E -c 35 0A 11 -20,-1.6 -18,-2.3 -16,-0.2 -1,-0.2 -0.996 66.9-123.7-154.3 146.4 -4.7 33.1 19.1 55 56 A S E > -c 36 0A 16 -2,-0.3 4,-0.8 -20,-0.2 -18,-0.2 -0.349 45.8-100.4 -71.4 166.5 -5.9 34.0 22.5 56 57 A F T >4 S+ 0 0 35 -20,-0.6 3,-0.9 1,-0.2 -19,-0.1 0.945 123.1 52.6 -51.7 -47.3 -8.7 32.0 24.1 57 58 A A T 34 S+ 0 0 88 1,-0.3 -1,-0.2 -20,-0.2 -20,-0.1 0.869 109.8 45.4 -62.9 -41.5 -11.2 34.7 23.1 58 59 A D T 34 S+ 0 0 128 2,-0.0 -1,-0.3 0, 0.0 -2,-0.2 0.538 85.6 111.3 -83.7 -4.4 -10.2 34.9 19.4 59 60 A C << - 0 0 11 -3,-0.9 3,-0.1 -4,-0.8 -54,-0.0 -0.518 69.8-127.5 -68.0 131.5 -10.2 31.1 19.0 60 61 A P - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.265 43.1 -74.9 -70.3 164.4 -13.1 30.1 16.7 61 62 A P - 0 0 114 0, 0.0 2,-0.4 0, 0.0 -58,-0.1 -0.422 63.1-126.8 -52.9 132.8 -15.4 27.4 18.0 62 63 A L - 0 0 10 1,-0.2 32,-0.3 27,-0.1 3,-0.2 -0.747 27.7-166.5 -97.7 134.0 -13.4 24.2 17.6 63 64 A D S S+ 0 0 42 -60,-2.1 32,-2.5 -2,-0.4 31,-0.9 0.879 92.9 23.0 -67.8 -44.4 -14.3 21.0 15.8 64 65 A V E -bd 4 95A 0 -61,-2.0 -59,-2.8 30,-0.2 2,-0.4 -0.996 66.9-169.0-128.0 125.7 -11.3 19.4 17.6 65 66 A I E -bd 5 96A 0 30,-1.9 32,-1.7 -2,-0.4 2,-0.4 -0.936 11.6-171.2-106.2 141.3 -9.6 20.5 20.8 66 67 A C E -bd 6 97A 0 -61,-2.5 -59,-2.1 -2,-0.4 32,-0.3 -0.978 10.5-161.7-136.6 122.4 -6.3 18.8 21.6 67 68 A I E - d 0 98A 0 30,-2.1 32,-2.1 -2,-0.4 35,-0.2 -0.900 12.4-158.6-100.9 111.7 -4.4 19.1 24.8 68 69 A P - 0 0 0 0, 0.0 32,-0.1 0, 0.0 2,-0.1 -0.303 14.0-130.3 -76.8 173.2 -0.7 18.1 24.6 69 70 A G + 0 0 0 -56,-0.3 -56,-2.9 32,-0.1 2,-0.2 -0.269 40.9 116.4-108.2-165.5 1.3 17.1 27.7 70 71 A G S > S- 0 0 4 -58,-0.3 3,-2.2 1,-0.1 4,-0.3 -0.670 78.5 -48.4 130.8-179.5 4.6 17.9 29.3 71 72 A T T > S+ 0 0 85 -60,-0.3 3,-1.4 1,-0.3 4,-0.3 0.856 124.9 66.5 -48.4 -40.5 6.0 19.4 32.5 72 73 A G T 3> S+ 0 0 8 -61,-2.4 4,-1.5 1,-0.3 3,-0.3 0.557 77.0 81.6 -67.6 -8.3 3.7 22.3 32.1 73 74 A V H <> S+ 0 0 0 -3,-2.2 4,-2.1 -62,-0.3 -1,-0.3 0.796 79.3 68.0 -71.4 -22.8 0.5 20.3 32.7 74 75 A G H <4 S+ 0 0 6 -3,-1.4 4,-0.3 -4,-0.3 -1,-0.2 0.950 104.2 43.5 -57.9 -44.2 1.0 20.4 36.5 75 76 A A H >4 S+ 0 0 76 -4,-0.3 3,-1.7 -3,-0.3 -1,-0.2 0.916 111.8 53.9 -62.4 -44.6 0.3 24.2 36.4 76 77 A L H >< S+ 0 0 4 -4,-1.5 3,-1.9 1,-0.3 7,-0.2 0.839 95.7 67.4 -61.0 -33.7 -2.6 23.8 34.0 77 78 A M T 3< S+ 0 0 1 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.641 111.7 34.0 -65.2 -14.5 -4.3 21.3 36.3 78 79 A E T < S+ 0 0 59 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 -0.053 91.3 107.6-127.2 30.1 -4.9 24.1 38.8 79 80 A D <> - 0 0 27 -3,-1.9 4,-2.6 1,-0.1 5,-0.3 -0.887 50.3-166.2-108.0 98.4 -5.4 26.9 36.3 80 81 A P H > S+ 0 0 97 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.820 86.4 53.6 -59.5 -32.0 -9.1 27.8 36.5 81 82 A Q H > S+ 0 0 124 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.954 111.3 43.6 -66.2 -50.9 -8.9 29.9 33.3 82 83 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 116.1 48.2 -58.0 -45.2 -7.3 27.1 31.2 83 84 A L H X S+ 0 0 17 -4,-2.6 4,-2.4 -7,-0.2 -1,-0.2 0.917 112.8 47.6 -64.8 -41.4 -9.7 24.5 32.7 84 85 A A H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.868 111.2 51.5 -68.4 -35.9 -12.8 26.7 32.0 85 86 A F H X S+ 0 0 6 -4,-2.5 4,-2.4 2,-0.2 5,-0.3 0.941 109.4 50.0 -63.6 -46.6 -11.6 27.4 28.5 86 87 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.927 112.1 47.9 -58.3 -44.7 -11.2 23.7 27.8 87 88 A R H X S+ 0 0 108 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.903 108.8 54.9 -60.0 -40.9 -14.7 23.1 29.2 88 89 A Q H < S+ 0 0 136 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.934 116.1 36.6 -57.8 -49.3 -16.1 26.0 27.0 89 90 A Q H >X S+ 0 0 17 -4,-2.4 4,-1.2 1,-0.2 3,-0.9 0.865 113.1 57.0 -74.4 -36.7 -14.7 24.4 23.8 90 91 A A H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.739 88.9 78.0 -68.0 -24.4 -15.3 20.8 24.8 91 92 A A T 3< S+ 0 0 74 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.855 116.8 10.0 -52.7 -41.7 -19.0 21.5 25.3 92 93 A R T <4 S+ 0 0 239 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.389 94.0 126.6-123.3 -0.2 -19.7 21.4 21.6 93 94 A A < - 0 0 7 -4,-1.2 -30,-0.2 1,-0.1 -29,-0.2 -0.320 58.3-138.0 -60.7 141.7 -16.5 20.1 20.0 94 95 A R S S+ 0 0 115 -31,-0.9 2,-0.4 -32,-0.3 -30,-0.2 0.907 93.5 24.0 -62.9 -40.7 -16.9 17.1 17.7 95 96 A Y E -d 64 0A 19 -32,-2.5 -30,-1.9 -33,-0.1 2,-0.5 -0.997 63.8-164.1-130.9 134.9 -13.8 15.7 19.3 96 97 A V E +de 65 145A 11 48,-2.6 50,-2.2 -2,-0.4 2,-0.3 -0.978 33.8 167.0-113.9 119.4 -12.3 16.3 22.7 97 98 A T E -de 66 146A 0 -32,-1.7 -30,-2.1 -2,-0.5 2,-0.3 -0.904 23.0-178.9-142.0 161.7 -8.7 15.0 22.6 98 99 A S E -de 67 147A 0 48,-1.6 50,-2.1 -2,-0.3 2,-0.4 -0.987 15.6-142.7-157.9 160.9 -5.3 14.8 24.3 99 100 A V E > - e 0 148A 0 -32,-2.1 3,-2.3 -2,-0.3 50,-0.2 -0.980 66.4 -31.1-123.8 137.9 -1.8 13.4 23.9 100 101 A X T > S- 0 0 6 49,-1.7 3,-1.7 48,-0.7 4,-0.2 -0.208 131.9 -4.2 60.1-140.7 0.3 12.1 26.7 101 102 A T T >> S+ 0 0 2 1,-0.3 3,-1.4 18,-0.2 4,-0.7 0.521 110.9 93.5 -72.2 3.1 -0.3 13.9 30.1 102 103 A G H X> S+ 0 0 0 -3,-2.3 4,-1.9 1,-0.3 3,-0.7 0.819 75.7 65.9 -57.8 -26.9 -2.7 16.3 28.4 103 104 A S H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 -1,-0.3 0.806 91.4 61.6 -67.3 -24.2 -5.3 13.8 29.5 104 105 A L H <> S+ 0 0 0 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.815 103.2 50.7 -67.4 -29.7 -4.5 14.8 33.1 105 106 A V H S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 6,-0.4 0.916 112.3 51.7 -54.7 -41.5 -8.9 17.0 30.7 107 108 A G H ><5S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.2 5,-0.3 0.940 107.9 48.8 -59.6 -50.4 -9.1 15.1 34.0 108 109 A A H 3<5S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.0 57.9 -60.9 -30.2 -8.6 18.2 36.1 109 110 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.478 118.7-112.8 -75.8 -6.7 -11.3 19.9 34.0 110 111 A G T X 5S+ 0 0 16 -3,-1.9 3,-0.8 -4,-0.2 -3,-0.2 0.501 84.2 120.4 88.4 7.0 -13.8 17.2 35.0 111 112 A L T 3 < + 0 0 51 -5,-2.3 -4,-0.2 1,-0.2 -5,-0.1 0.441 65.1 56.3 -91.4 -0.1 -14.0 15.8 31.4 112 113 A L T > + 0 0 0 -6,-0.4 3,-2.4 18,-0.3 2,-0.4 0.311 67.1 136.7-108.2 6.9 -12.8 12.2 32.1 113 114 A Q T < S- 0 0 112 -3,-0.8 19,-0.2 1,-0.3 18,-0.1 -0.390 89.7 -8.4 -66.6 116.9 -15.4 11.3 34.8 114 115 A G T 3 S+ 0 0 52 17,-2.8 2,-0.4 -2,-0.4 -1,-0.3 0.591 110.3 128.4 73.9 13.4 -16.5 7.7 34.0 115 116 A K < - 0 0 86 -3,-2.4 18,-2.8 16,-0.2 2,-0.3 -0.793 64.4-116.1-104.3 143.2 -14.6 7.9 30.7 116 117 A R E +h 133 0C 99 -2,-0.4 2,-0.3 16,-0.2 31,-0.1 -0.569 51.7 155.1 -67.4 127.7 -12.1 5.4 29.2 117 118 A A E -h 134 0C 0 16,-2.0 18,-2.4 -2,-0.3 2,-0.2 -0.992 29.4-157.2-155.8 158.8 -8.7 7.1 28.8 118 119 A T + 0 0 3 -2,-0.3 2,-0.3 16,-0.2 30,-0.1 -0.739 11.9 173.1-125.4 176.6 -5.0 6.7 28.6 119 120 A T - 0 0 0 -2,-0.2 31,-0.6 16,-0.2 -18,-0.2 -0.912 51.8 -37.5-162.2-174.8 -1.9 8.9 29.3 120 121 A H > - 0 0 15 29,-0.4 3,-2.0 -2,-0.3 4,-0.4 -0.355 59.2-121.1 -55.4 136.6 1.9 8.6 29.5 121 122 A W G > S+ 0 0 35 1,-0.3 3,-1.0 2,-0.2 4,-0.2 0.802 109.3 57.9 -53.3 -34.5 2.9 5.2 31.0 122 123 A A G 3 S+ 0 0 15 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.653 116.1 34.1 -74.5 -15.5 4.8 6.9 33.9 123 124 A Y G X S+ 0 0 25 -3,-2.0 3,-2.1 1,-0.1 -1,-0.2 0.143 80.2 115.0-122.9 15.9 1.7 8.9 35.0 124 125 A H G X + 0 0 16 -3,-1.0 3,-1.8 -4,-0.4 4,-0.5 0.813 66.4 68.5 -62.7 -30.9 -1.0 6.4 34.3 125 126 A E G 3 S+ 0 0 100 1,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.627 88.9 67.1 -62.5 -14.4 -1.9 6.0 37.9 126 127 A L G <> S+ 0 0 4 -3,-2.1 4,-0.7 1,-0.2 -1,-0.3 0.555 83.0 74.4 -86.1 -8.1 -3.2 9.5 38.0 127 128 A L T X4>S+ 0 0 0 -3,-1.8 5,-1.9 -4,-0.2 3,-1.0 0.943 90.4 53.6 -68.3 -49.4 -6.1 8.8 35.7 128 129 A A G >45S+ 0 0 57 -4,-0.5 3,-2.2 1,-0.3 -1,-0.2 0.906 104.0 54.0 -57.6 -45.7 -8.3 7.0 38.2 129 130 A P G 345S+ 0 0 62 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.762 105.6 56.1 -61.2 -22.2 -8.2 9.7 40.9 130 131 A L G <<5S- 0 0 2 -3,-1.0 -18,-0.3 -4,-0.7 -2,-0.2 0.384 128.0-100.2 -87.9 3.9 -9.5 12.1 38.2 131 132 A G T < 5S+ 0 0 32 -3,-2.2 -17,-2.8 1,-0.3 -3,-0.2 0.370 77.3 136.2 100.2 -4.1 -12.5 9.8 37.5 132 133 A A < - 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0 0 0 -11,-2.5 -49,-1.7 -2,-0.3 -29,-0.4 0.265 63.4 -25.4 -74.3-159.0 -0.5 7.6 25.3 150 151 A G S > S- 0 0 0 -31,-0.6 3,-3.3 -50,-0.1 -1,-0.2 -0.187 92.4 -60.3 -66.6 150.6 2.9 9.1 25.9 151 152 A I T > S+ 0 0 8 1,-0.3 3,-2.3 2,-0.2 4,-0.2 0.238 130.6 39.1 15.0 -85.5 4.7 11.6 23.6 152 153 A T T >> S+ 0 0 2 257,-2.2 3,-1.8 1,-0.3 4,-0.7 0.681 95.8 81.9 -65.5 -13.8 5.1 9.8 20.3 153 154 A A H <> S+ 0 0 0 -3,-3.3 4,-2.8 256,-0.3 -1,-0.3 0.728 73.4 81.3 -57.0 -24.1 1.7 8.2 20.6 154 155 A G H <> S+ 0 0 1 -3,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.822 86.9 53.9 -50.7 -32.4 0.5 11.6 19.2 155 156 A I H <> S+ 0 0 2 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.951 110.9 43.9 -70.6 -45.4 1.3 10.5 15.7 156 157 A D H X S+ 0 0 1 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.916 115.6 49.8 -61.3 -44.6 -0.8 7.3 16.0 157 158 A F H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.894 109.6 51.1 -60.1 -41.4 -3.6 9.3 17.6 158 159 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.886 108.9 49.2 -72.6 -34.0 -3.5 11.9 14.9 159 160 A L H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.908 111.4 50.9 -70.5 -34.1 -3.8 9.4 12.1 160 161 A T H X S+ 0 0 32 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.962 112.0 46.9 -61.5 -49.9 -6.7 7.7 13.9 161 162 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.894 107.5 57.5 -58.3 -42.2 -8.4 11.1 14.3 162 163 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.907 106.3 49.1 -58.9 -41.2 -7.7 11.9 10.6 163 164 A A H < S+ 0 0 13 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.895 111.9 48.5 -66.3 -37.6 -9.6 8.8 9.5 164 165 A E H < S+ 0 0 92 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.938 114.4 45.2 -68.3 -40.0 -12.5 9.7 11.7 165 166 A L H < S- 0 0 17 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.835 140.4 -3.1 -69.0 -35.1 -12.6 13.3 10.5 166 167 A F S < S- 0 0 58 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.443 105.5 -76.5-120.3 -98.8 -12.3 12.2 6.8 167 168 A D > - 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0 0 0 -11,-2.5 -49,-1.7 -2,-0.3 -29,-0.4 0.264 64.1 -18.6 -74.0-153.9 14.3 8.9 5.2 381 154 B G S > S- 0 0 0 -31,-0.6 3,-3.1 -51,-0.1 -1,-0.2 -0.184 93.7 -64.6 -63.2 147.7 11.0 10.8 4.9 382 155 B I T > S+ 0 0 7 1,-0.3 3,-2.2 2,-0.2 -203,-0.2 0.202 129.9 40.6 13.2 -83.7 9.6 13.0 7.6 383 156 B T T >> S+ 0 0 2 -205,-2.4 3,-1.8 1,-0.3 4,-0.7 0.672 95.0 82.0 -68.0 -12.5 8.9 10.7 10.6 384 157 B A H <> S+ 0 0 0 -3,-3.1 4,-3.0 -206,-0.3 -1,-0.3 0.754 72.8 82.4 -58.6 -22.6 12.1 8.8 10.0 385 158 B G H <> S+ 0 0 1 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.831 86.6 53.4 -48.8 -35.4 13.6 11.7 11.9 386 159 B I H <> S+ 0 0 2 -3,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.946 111.4 43.1 -70.8 -44.5 12.6 10.0 15.2 387 160 B D H X S+ 0 0 1 -4,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.925 115.7 50.7 -63.5 -44.8 14.3 6.7 14.3 388 161 B F H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.917 109.6 50.1 -54.0 -47.5 17.3 8.6 13.0 389 162 B A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.880 109.3 49.8 -70.9 -34.2 17.6 10.6 16.2 390 163 B L H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.883 111.5 49.9 -67.9 -36.2 17.4 7.6 18.4 391 164 B T H X S+ 0 0 29 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.943 112.4 47.3 -63.3 -46.7 20.2 6.0 16.3 392 165 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-0.3 0.905 107.1 57.5 -60.9 -42.3 22.2 9.2 16.6 393 166 B A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.3 0.899 105.0 50.7 -55.5 -41.9 21.6 9.3 20.4 394 167 B A H < S+ 0 0 19 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 111.6 48.1 -67.4 -32.2 23.1 5.8 20.8 395 168 B E H < S+ 0 0 82 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.872 114.3 45.3 -74.1 -38.7 26.2 6.9 18.9 396 169 B L H < S- 0 0 17 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.820 139.9 -2.8 -70.7 -34.1 26.6 10.1 20.8 397 170 B F S < S- 0 0 62 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.401 105.5 -75.1-121.8-101.8 26.1 8.4 24.1 398 171 B D > - 0 0 80 -5,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.951 39.3 -91.1-160.3 174.0 25.2 4.7 24.4 399 172 B A H > S+ 0 0 43 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.872 120.7 57.4 -61.8 -38.9 22.4 2.3 23.8 400 173 B A H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.910 109.0 45.8 -59.6 -39.5 21.2 2.5 27.4 401 174 B T H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 112.8 49.1 -70.4 -45.6 20.8 6.3 27.1 402 175 B A H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.903 111.9 50.0 -60.2 -41.2 19.0 6.0 23.7 403 176 B Q H X S+ 0 0 34 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.901 107.5 53.5 -66.5 -39.8 16.7 3.3 25.1 404 177 B R H X S+ 0 0 21 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.940 111.0 46.5 -59.7 -44.9 15.9 5.5 28.1 405 178 B V H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.931 110.2 53.7 -62.3 -42.5 14.9 8.3 25.8 406 179 B Q H <>S+ 0 0 2 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.896 111.0 46.4 -54.3 -44.2 12.8 5.9 23.7 407 180 B L H ><5S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -1,-0.2 0.900 110.0 51.8 -68.8 -40.7 11.0 4.8 26.8 408 181 B Q H 3<5S+ 0 0 43 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.872 111.8 48.5 -61.2 -32.6 10.4 8.4 27.9 409 182 B L T 3<5S- 0 0 1 -4,-2.3 -257,-2.2 -5,-0.2 -256,-0.3 0.457 105.1-134.6 -78.8 -5.7 9.0 9.0 24.4 410 183 B E T < 5 + 0 0 23 -3,-1.4 2,-2.1 1,-0.2 -3,-0.2 0.884 36.9 178.2 44.3 46.8 6.9 5.9 24.8 411 184 B Y < + 0 0 1 -5,-2.6 -222,-0.3 -223,-0.2 -1,-0.2 -0.452 32.6 124.4 -88.4 76.3 8.0 5.1 21.3 412 185 B A - 0 0 37 -2,-2.1 -1,-0.1 -223,-0.4 -274,-0.1 -0.811 54.9-151.7-122.4 73.9 6.3 1.8 20.8 413 186 B P + 0 0 32 0, 0.0 -260,-0.1 0, 0.0 -2,-0.1 -0.208 25.7 179.6 -61.9 147.5 4.5 2.8 17.6 414 187 B A - 0 0 59 -261,-0.1 -2,-0.0 -276,-0.0 -275,-0.0 -0.616 17.6-159.6-138.9 72.8 1.2 1.2 16.6 415 188 B P - 0 0 47 0, 0.0 -259,-0.1 0, 0.0 -258,-0.0 -0.310 14.8-140.0 -61.3 137.7 0.2 2.9 13.4 416 189 B P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 -260,-0.0 0.600 85.2 32.8 -75.9 -11.9 -3.5 2.6 12.6 417 190 B F S S- 0 0 53 -246,-0.1 3,-0.2 -245,-0.0 8,-0.1 -0.915 75.0-129.2-136.0 165.6 -2.9 1.9 8.9 418 191 B N S S+ 0 0 118 -2,-0.3 3,-0.2 1,-0.2 -237,-0.1 -0.336 74.8 105.6-111.4 47.1 -0.2 0.2 6.9 419 192 B A + 0 0 0 -239,-0.2 -240,-0.2 1,-0.1 -239,-0.2 0.033 35.8 111.4-118.1 28.2 0.5 3.0 4.4 420 193 B G S S+ 0 0 1 -240,-0.3 -239,-0.4 -241,-0.2 -1,-0.1 0.584 78.5 42.3 -80.7 -6.4 3.8 4.4 5.7 421 194 B S S >> S- 0 0 25 -3,-0.2 4,-2.3 -241,-0.2 3,-1.9 -0.987 81.0-123.2-133.8 149.1 5.8 3.1 2.7 422 195 B P T 34 S+ 0 0 34 0, 0.0 8,-0.1 0, 0.0 -1,-0.1 0.714 113.7 61.0 -61.1 -17.3 5.1 3.0 -1.0 423 196 B D T 34 S+ 0 0 145 1,-0.1 4,-0.1 7,-0.0 -4,-0.1 0.671 115.6 27.7 -84.1 -14.0 5.7 -0.7 -0.7 424 197 B T T <4 S+ 0 0 64 -3,-1.9 -6,-0.1 2,-0.1 -1,-0.1 0.607 95.6 97.1-122.6 -15.7 2.8 -1.3 1.7 425 198 B A S < S- 0 0 14 -4,-2.3 -6,-0.1 -6,-0.1 5,-0.1 -0.192 88.1 -81.2 -71.0 162.5 0.1 1.5 1.1 426 199 B P >> - 0 0 42 0, 0.0 4,-2.3 0, 0.0 3,-0.6 -0.368 39.7-124.3 -61.6 138.9 -3.0 1.0 -1.0 427 200 B A H 3> S+ 0 0 68 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.849 109.8 55.3 -56.4 -37.3 -2.1 1.4 -4.7 428 201 B S H 3> S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.898 109.3 48.1 -61.7 -40.5 -4.7 4.1 -5.3 429 202 B V H <> S+ 0 0 2 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.910 110.7 50.2 -66.0 -45.2 -3.2 6.1 -2.5 430 203 B V H X S+ 0 0 22 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.927 109.7 50.4 -61.3 -40.9 0.3 5.7 -3.8 431 204 B Q H X S+ 0 0 120 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.887 106.4 56.4 -70.1 -31.4 -0.7 6.8 -7.3 432 205 B Q H X S+ 0 0 96 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.3 0.873 109.2 48.8 -53.0 -41.7 -2.3 9.8 -5.6 433 206 B A H X S+ 0 0 9 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.988 108.7 46.4 -70.8 -59.1 1.1 10.6 -4.1 434 207 B R H X S+ 0 0 125 -4,-2.1 4,-0.5 1,-0.3 -1,-0.2 0.819 118.1 47.5 -55.7 -28.7 3.4 10.4 -7.2 435 208 B Q H >< S+ 0 0 138 -4,-1.4 3,-0.6 -5,-0.3 4,-0.5 0.878 109.7 50.8 -77.2 -40.4 0.7 12.5 -9.0 436 209 B R H 3< S+ 0 0 152 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.890 119.7 39.3 -59.0 -31.9 0.5 15.0 -6.1 437 210 B A H 3X S+ 0 0 19 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.468 86.4 95.9 -99.3 -4.8 4.3 15.3 -6.3 438 211 B A H S+ 0 0 96 -4,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.949 114.3 48.2 -53.1 -52.1 5.3 18.9 -10.5 440 213 B S H > S+ 0 0 34 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.895 109.9 52.5 -57.7 -44.2 7.5 19.3 -7.5 441 214 B L H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.932 108.2 50.6 -61.6 -44.8 9.7 16.5 -8.6 442 215 B H H X S+ 0 0 115 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.935 114.1 44.5 -56.3 -46.6 10.2 18.0 -12.1 443 216 B K H X S+ 0 0 112 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.926 113.4 49.4 -67.3 -41.0 11.2 21.4 -10.5 444 217 B R H X S+ 0 0 16 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.854 107.6 55.1 -69.0 -28.7 13.5 19.8 -7.9 445 218 B R H X S+ 0 0 73 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.937 106.5 52.3 -63.4 -44.2 15.1 17.8 -10.7 446 219 B E H X S+ 0 0 108 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.913 114.5 41.9 -48.6 -53.0 15.8 21.1 -12.5 447 220 B I H X S+ 0 0 28 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.877 110.7 56.7 -67.4 -44.0 17.4 22.5 -9.3 448 221 B T H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.913 107.3 47.5 -58.0 -46.3 19.3 19.3 -8.5 449 222 B L H X S+ 0 0 92 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.880 111.4 50.7 -69.6 -33.7 21.1 19.2 -11.8 450 223 B R H X S+ 0 0 89 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.924 111.7 48.4 -65.0 -43.6 22.0 22.9 -11.6 451 224 B A H X S+ 0 0 3 -4,-2.8 4,-1.1 1,-0.2 3,-0.4 0.919 110.5 51.6 -58.7 -42.5 23.4 22.3 -8.1 452 225 B A H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 3,-0.4 0.876 104.6 56.5 -62.7 -37.7 25.3 19.3 -9.4 453 226 B A H X S+ 0 0 58 -4,-1.9 4,-0.9 1,-0.2 -1,-0.2 0.823 101.7 56.6 -66.0 -30.4 26.8 21.4 -12.2 454 227 B R H < S+ 0 0 142 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.817 108.3 47.0 -71.3 -30.5 28.2 23.8 -9.6 455 228 B L H < S+ 0 0 50 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.872 106.7 58.7 -70.9 -37.4 30.0 20.9 -8.0 456 229 B A H < 0 0 92 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.677 360.0 360.0 -72.0 -13.5 31.1 19.8 -11.5 457 230 B A < 0 0 121 -4,-0.9 -3,-0.1 -5,-0.1 -4,-0.0 0.121 360.0 360.0-130.3 360.0 32.8 23.2 -11.8