==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-DEC-12 4IGJ . COMPND 2 MOLECULE: MALEYLACETOACETATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ANAEROMYXOBACTER DEHALOGENANS; . AUTHOR J.KIM,R.TORO,R.BHOSLE,N.F.AL OBAIDI,L.L.MORISCO,S.R.WASSERMA . 422 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 5.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 22 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 1 0 2 0 0 0 3 4 2 0 0 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 107 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.7 -11.6 -6.1 45.2 2 -3 A Y T 3 + 0 0 73 1,-0.3 302,-0.0 0, 0.0 0, 0.0 0.371 360.0 60.4 -81.8 7.4 -10.5 -6.4 41.6 3 -2 A F T 3 S+ 0 0 107 2,-0.0 -1,-0.3 73,-0.0 3,-0.1 0.184 75.9 118.4-114.2 17.3 -7.2 -4.4 42.1 4 -1 A Q S < S- 0 0 85 -3,-1.4 0, 0.0 1,-0.1 0, 0.0 -0.315 81.1 -75.9 -70.6 163.6 -5.7 -6.8 44.6 5 0 A S - 0 0 109 1,-0.0 2,-0.3 -2,-0.0 -1,-0.1 -0.307 60.5-178.0 -61.1 146.0 -2.4 -8.6 43.7 6 1 A M - 0 0 40 50,-0.1 2,-0.3 -3,-0.1 50,-0.2 -0.948 25.3-132.7-142.7 161.0 -2.9 -11.5 41.3 7 2 A T E -A 55 0A 96 48,-2.9 48,-2.8 -2,-0.3 2,-0.4 -0.902 24.9-144.7-114.2 152.2 -1.0 -14.2 39.4 8 3 A L E -A 54 0A 16 -2,-0.3 26,-2.6 24,-0.3 2,-0.4 -0.929 17.4-179.7-124.2 139.4 -1.4 -14.9 35.7 9 4 A R E -Ab 53 34A 83 44,-2.2 44,-3.2 -2,-0.4 2,-0.6 -0.972 14.4-154.7-137.0 121.9 -1.4 -18.0 33.5 10 5 A L E -Ab 52 35A 0 24,-2.8 26,-2.9 -2,-0.4 2,-0.8 -0.854 8.7-148.4-103.4 120.5 -1.9 -17.8 29.7 11 6 A Y E +Ab 51 36A 52 40,-2.9 40,-1.1 -2,-0.6 2,-0.3 -0.778 41.9 162.0 -80.6 112.9 -3.2 -20.8 27.8 12 7 A S E - b 0 37A 0 24,-2.2 26,-2.3 -2,-0.8 2,-0.4 -0.936 41.3-149.1-139.5 150.3 -1.4 -20.3 24.5 13 8 A Y > - 0 0 30 -2,-0.3 3,-1.5 24,-0.2 6,-0.1 -0.977 32.4-124.2-116.2 138.3 -0.4 -22.1 21.3 14 9 A W T 3 S+ 0 0 9 -2,-0.4 188,-0.1 1,-0.3 192,-0.1 0.853 108.1 36.3 -54.2 -37.9 2.8 -20.8 19.8 15 10 A R T 3 S+ 0 0 36 185,-0.1 2,-0.4 186,-0.1 -1,-0.3 0.442 83.9 120.0 -99.4 0.1 1.3 -20.0 16.4 16 11 A S <> - 0 0 18 -3,-1.5 4,-2.3 1,-0.2 5,-0.1 -0.509 48.8-158.5 -68.6 119.5 -2.1 -18.7 17.5 17 12 A S H > S+ 0 0 8 -2,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.892 93.3 53.6 -68.0 -35.3 -2.6 -15.1 16.3 18 13 A S H > S+ 0 0 22 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 111.3 45.0 -63.8 -41.6 -5.3 -14.5 19.0 19 14 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 107.7 59.1 -68.4 -37.2 -2.9 -15.7 21.7 20 15 A W H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.891 99.8 57.0 -58.5 -41.2 -0.1 -13.7 20.3 21 16 A R H X S+ 0 0 3 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.911 109.8 45.1 -55.2 -44.0 -2.2 -10.5 20.7 22 17 A V H X S+ 0 0 0 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.908 108.9 55.0 -69.6 -40.3 -2.5 -11.3 24.4 23 18 A R H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.879 108.7 50.7 -57.7 -38.2 1.2 -12.1 24.7 24 19 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.922 108.6 49.9 -66.1 -43.4 1.9 -8.7 23.3 25 20 A G H X S+ 0 0 0 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.920 113.7 46.3 -60.5 -43.8 -0.4 -7.0 25.8 26 21 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 2,-0.2 4,-0.3 0.923 114.7 46.5 -63.6 -45.7 1.3 -8.8 28.6 27 22 A A H ><5S+ 0 0 26 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.905 110.7 51.7 -65.8 -42.3 4.8 -8.0 27.3 28 23 A L H 3<5S+ 0 0 25 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 112.2 47.3 -66.9 -27.5 4.1 -4.3 26.7 29 24 A K T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.415 112.0-121.0 -93.1 0.4 2.7 -4.0 30.2 30 25 A G T < 5 + 0 0 67 -3,-1.1 2,-0.5 -4,-0.3 -3,-0.2 0.799 56.8 157.5 68.6 31.2 5.7 -5.8 31.7 31 26 A L < - 0 0 33 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.780 35.7-139.5 -98.1 123.1 3.5 -8.5 33.3 32 27 A A + 0 0 93 -2,-0.5 2,-0.3 -5,-0.0 -24,-0.3 -0.493 29.7 170.3 -75.6 148.4 5.0 -11.8 34.2 33 28 A Y - 0 0 63 -2,-0.2 2,-0.4 -26,-0.1 -24,-0.2 -0.992 35.7-109.6-155.4 153.4 2.9 -14.9 33.4 34 29 A E E -b 9 0A 117 -26,-2.6 -24,-2.8 -2,-0.3 2,-0.6 -0.706 32.3-134.6 -82.1 136.0 3.0 -18.7 33.3 35 30 A Y E -b 10 0A 49 -2,-0.4 2,-0.6 -26,-0.2 -24,-0.2 -0.826 19.3-172.7 -94.6 119.3 2.9 -20.2 29.9 36 31 A R E -b 11 0A 110 -26,-2.9 -24,-2.2 -2,-0.6 2,-0.2 -0.933 20.1-140.7-111.5 108.7 0.5 -23.1 29.6 37 32 A A E -b 12 0A 43 -2,-0.6 2,-0.5 -26,-0.2 -24,-0.2 -0.433 14.4-167.1 -71.7 135.5 0.9 -24.7 26.1 38 33 A V - 0 0 8 -26,-2.3 2,-1.5 -2,-0.2 3,-0.1 -0.970 16.8-143.5-121.3 110.9 -2.2 -25.9 24.3 39 34 A D > + 0 0 87 -2,-0.5 4,-2.0 1,-0.2 -26,-0.1 -0.583 22.7 177.1 -78.8 91.1 -1.3 -28.1 21.4 40 35 A L T 4 S+ 0 0 66 -2,-1.5 -1,-0.2 1,-0.2 5,-0.1 0.798 78.1 52.2 -66.1 -28.3 -4.0 -27.0 18.9 41 36 A L T >> S+ 0 0 60 1,-0.2 4,-3.1 2,-0.2 3,-1.5 0.924 110.6 44.4 -74.7 -45.3 -2.5 -29.3 16.2 42 37 A A H 3> S+ 0 0 51 1,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.878 113.7 53.1 -62.7 -37.2 -2.3 -32.5 18.2 43 38 A Q H 3< S+ 0 0 141 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.018 116.5 40.0 -88.6 23.3 -5.8 -31.6 19.4 44 39 A E H <4 S+ 0 0 47 -3,-1.5 -2,-0.2 -5,-0.1 -3,-0.2 0.477 106.2 57.3-129.1 -54.2 -6.9 -31.3 15.8 45 40 A Q H < 0 0 149 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.1 0.775 360.0 360.0 -51.1 -32.0 -5.1 -34.1 13.9 46 41 A F < 0 0 122 -4,-1.1 -1,-0.3 -5,-0.3 -3,-0.1 0.288 360.0 360.0 -67.5 360.0 -6.8 -36.5 16.3 47 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 48 53 A Q 0 0 104 0, 0.0 3,-0.1 0, 0.0 -37,-0.1 0.000 360.0 360.0 360.0 130.5 -9.9 -22.7 24.0 49 54 A V + 0 0 31 1,-0.2 -37,-0.1 -39,-0.0 -31,-0.1 -0.993 360.0 24.8-139.8 128.6 -7.0 -20.4 23.1 50 55 A P S S+ 0 0 6 0, 0.0 14,-0.6 0, 0.0 2,-0.4 0.532 70.1 159.9 -86.5 150.9 -6.2 -17.8 24.4 51 56 A V E -AC 11 63A 16 -40,-1.1 -40,-2.9 12,-0.1 2,-0.8 -0.994 25.3-154.5-125.9 126.9 -7.5 -18.0 28.0 52 57 A L E -AC 10 62A 0 10,-2.5 10,-2.8 -2,-0.4 2,-0.6 -0.901 11.7-157.0 -99.2 110.1 -6.0 -15.7 30.6 53 58 A E E -AC 9 61A 39 -44,-3.2 -44,-2.2 -2,-0.8 2,-0.6 -0.783 5.6-162.1 -87.6 122.9 -6.3 -17.4 34.0 54 59 A V E -AC 8 60A 0 6,-3.1 6,-2.5 -2,-0.6 2,-0.4 -0.936 7.4-169.6-111.8 120.7 -6.2 -14.9 36.8 55 60 A E E AC 7 59A 26 -48,-2.8 -48,-2.9 -2,-0.6 4,-0.2 -0.884 360.0 360.0-115.3 138.9 -5.5 -16.3 40.3 56 61 A E 0 0 64 2,-1.8 -50,-0.1 -2,-0.4 -2,-0.0 -0.998 360.0 360.0-146.5 360.0 -5.8 -14.5 43.6 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 64 A R 0 0 92 0, 0.0 -2,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 150.1 -10.1 -18.0 43.5 59 65 A T E -C 55 0A 80 -4,-0.2 2,-0.4 2,-0.0 -4,-0.2 -0.979 360.0-171.8-133.2 131.0 -9.9 -18.2 39.7 60 66 A H E -C 54 0A 54 -6,-2.5 -6,-3.1 -2,-0.4 2,-0.7 -0.972 12.6-154.8-115.4 133.8 -11.2 -16.1 36.8 61 67 A L E -C 53 0A 107 -2,-0.4 2,-0.5 -8,-0.2 -8,-0.2 -0.931 11.9-161.2-108.3 111.5 -10.9 -17.4 33.3 62 68 A L E -C 52 0A 13 -10,-2.8 -10,-2.5 -2,-0.7 2,-0.3 -0.802 11.9-176.1 -97.3 132.2 -10.8 -14.5 30.8 63 69 A V E +C 51 0A 53 -2,-0.5 -12,-0.1 -12,-0.2 4,-0.1 -0.830 40.9 51.3-126.3 165.1 -11.6 -15.2 27.2 64 70 A Q S > S- 0 0 47 -14,-0.6 4,-2.6 -2,-0.3 3,-0.3 0.771 74.3-116.6 73.3 116.4 -11.7 -13.4 23.8 65 71 A S H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.850 112.2 47.5 -50.3 -43.2 -8.6 -11.4 22.9 66 72 A M H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.909 112.9 48.2 -70.8 -38.1 -10.2 -8.0 22.9 67 73 A A H > S+ 0 0 2 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.905 113.3 48.7 -65.8 -40.2 -12.0 -8.6 26.2 68 74 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.937 112.8 47.2 -63.8 -47.5 -8.7 -9.8 27.8 69 75 A L H X S+ 0 0 2 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.888 110.4 51.8 -64.1 -37.9 -6.7 -6.8 26.4 70 76 A E H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.867 110.2 50.6 -66.1 -35.0 -9.4 -4.4 27.7 71 77 A W H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.931 108.7 50.4 -64.9 -47.3 -9.1 -6.0 31.1 72 78 A L H X S+ 0 0 2 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.885 110.6 50.9 -56.7 -38.1 -5.4 -5.7 31.1 73 79 A E H < S+ 0 0 17 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.870 114.6 42.3 -71.0 -35.7 -5.7 -2.0 30.2 74 80 A E H < S+ 0 0 43 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.891 120.1 41.9 -74.5 -41.9 -8.2 -1.4 33.0 75 81 A R H < S+ 0 0 35 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.880 129.6 26.4 -76.1 -37.7 -6.4 -3.4 35.7 76 82 A H S < S+ 0 0 44 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.733 70.9 174.8-127.8 80.5 -2.9 -2.2 34.7 77 83 A P + 0 0 76 0, 0.0 5,-0.2 0, 0.0 -1,-0.1 0.694 43.7 102.6 -68.8 -21.4 -3.3 1.2 33.1 78 84 A E S S+ 0 0 171 1,-0.2 2,-0.1 2,-0.1 3,-0.0 -0.949 77.5 29.0-119.2 134.3 0.4 2.1 32.7 79 85 A P S S- 0 0 72 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.562 101.4-135.1 -75.6 146.4 1.9 2.0 30.2 80 86 A A - 0 0 55 1,-0.1 -2,-0.1 -2,-0.1 -7,-0.0 -0.482 26.7-175.2 -78.5 132.4 -1.3 2.7 28.3 81 87 A L S S+ 0 0 5 -2,-0.2 76,-2.5 -12,-0.1 77,-0.3 0.394 81.2 52.9-102.0 0.1 -2.2 0.8 25.2 82 88 A L S S- 0 0 3 -5,-0.2 7,-0.1 74,-0.2 -1,-0.1 -0.995 91.6-121.2-124.8 138.6 -5.2 3.0 24.7 83 89 A P - 0 0 18 0, 0.0 -2,-0.1 0, 0.0 6,-0.0 -0.206 19.4-119.0 -71.4 168.7 -4.8 6.8 24.6 84 90 A P S S+ 0 0 122 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.691 88.2 86.6 -84.4 -17.4 -6.7 9.1 27.1 85 91 A D S > S- 0 0 75 1,-0.1 4,-2.0 4,-0.0 5,-0.1 -0.626 77.5-133.8 -87.2 142.9 -8.7 11.0 24.5 86 92 A L H > S+ 0 0 51 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.843 102.3 53.0 -69.4 -33.9 -12.0 9.5 23.4 87 93 A W H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.924 110.2 48.4 -65.0 -44.2 -11.5 10.0 19.7 88 94 A G H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.858 109.1 53.9 -64.4 -37.1 -8.1 8.2 19.8 89 95 A R H X S+ 0 0 46 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.921 109.1 48.2 -62.0 -43.8 -9.6 5.4 21.8 90 96 A A H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.884 112.2 49.5 -64.0 -39.7 -12.3 4.9 19.1 91 97 A R H X S+ 0 0 45 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 112.5 46.9 -64.3 -47.1 -9.7 4.9 16.3 92 98 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.932 112.7 48.8 -62.9 -44.1 -7.5 2.4 18.1 93 99 A R H X S+ 0 0 2 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.883 109.9 52.9 -62.7 -37.2 -10.4 0.1 18.8 94 100 A A H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.917 108.4 49.3 -64.1 -43.5 -11.5 0.4 15.2 95 101 A L H X S+ 0 0 6 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.924 113.1 48.3 -59.8 -43.1 -8.1 -0.6 13.9 96 102 A A H >X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 3,-0.7 0.925 111.2 49.5 -61.9 -45.7 -8.1 -3.6 16.3 97 103 A E H 3X>S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.3 5,-1.6 0.817 97.4 67.4 -69.7 -29.5 -11.6 -4.6 15.3 98 104 A H H 3<5S+ 0 0 31 -4,-2.2 -1,-0.3 3,-0.2 -2,-0.2 0.876 116.3 30.1 -53.5 -36.8 -10.7 -4.5 11.6 99 105 A V H S+ 0 0 2 -4,-1.0 5,-2.3 -3,-0.7 4,-1.4 0.927 120.6 51.3 -83.4 -53.3 -8.5 -7.4 12.4 100 106 A N H <5S+ 0 0 3 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.863 134.7 6.8 -54.7 -45.9 -10.4 -9.0 15.3 101 107 A S T <5S+ 0 0 11 -4,-2.8 -1,-0.2 -5,-0.1 -3,-0.2 0.641 132.5 49.4-112.9 -21.3 -13.7 -9.2 13.5 102 108 A G T 4<5S+ 0 0 2 -4,-1.4 3,-1.0 -6,-0.2 4,-0.4 0.601 116.4 55.0-133.2 -61.0 -9.9 -10.2 8.9 104 110 A Q G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 0.846 99.0 58.9 -59.2 -28.6 -12.3 -14.9 11.4 106 112 A M G < S+ 0 0 4 -3,-1.0 -2,-0.2 1,-0.3 24,-0.1 0.570 113.7 37.9 -77.7 -7.5 -12.1 -15.4 7.6 107 113 A Q G < S+ 0 0 11 -3,-2.1 -1,-0.3 -4,-0.4 -3,-0.1 0.118 84.1 132.1-126.6 23.1 -8.9 -17.3 8.0 108 114 A N <> - 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0 0 57 -3,-1.4 4,-2.7 1,-0.1 5,-0.2 -0.302 61.7-121.3 -50.5 141.9 -21.1 -11.8 6.1 328 115 B A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.898 114.2 47.6 -60.4 -41.7 -22.8 -11.0 2.7 329 116 B L H > S+ 0 0 20 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 111.3 50.7 -65.4 -42.7 -19.4 -11.1 0.9 330 117 B V H > S+ 0 0 2 2,-0.2 4,-2.2 -6,-0.2 -2,-0.2 0.953 113.4 44.8 -58.1 -49.4 -18.4 -14.4 2.6 331 118 B L H X S+ 0 0 13 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.881 112.1 53.3 -66.3 -36.3 -21.7 -16.0 1.6 332 119 B R H X S+ 0 0 27 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.916 107.9 49.4 -63.5 -44.7 -21.4 -14.6 -1.9 333 120 B M H X S+ 0 0 40 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.920 113.3 47.3 -59.0 -45.4 -18.0 -16.0 -2.4 334 121 B L H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 7,-0.2 0.929 112.4 49.5 -62.0 -46.1 -19.2 -19.4 -1.2 335 122 B R H < S+ 0 0 107 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.814 109.4 50.8 -63.9 -36.1 -22.3 -19.3 -3.4 336 123 B E H < S+ 0 0 119 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.802 116.2 42.9 -71.9 -28.6 -20.2 -18.3 -6.5 337 124 B K H < S+ 0 0 80 -4,-1.4 -2,-0.2 1,-0.3 -1,-0.2 0.908 137.8 3.3 -82.2 -47.9 -17.9 -21.2 -5.8 338 125 B V S >< S- 0 0 37 -4,-3.1 3,-1.9 -5,-0.2 4,-0.4 -0.844 82.9-127.0-143.8 101.3 -20.6 -23.8 -4.9 339 126 B P T 3 S+ 0 0 110 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.161 93.1 14.7 -51.6 136.5 -24.3 -22.8 -5.2 340 127 B G T >> S+ 0 0 45 1,-0.1 4,-1.3 3,-0.0 3,-0.7 0.134 94.8 104.5 85.9 -20.9 -26.3 -23.5 -2.0 341 128 B W H <> S+ 0 0 10 -3,-1.9 4,-2.7 1,-0.2 5,-0.2 0.827 70.7 67.2 -60.1 -31.3 -23.1 -23.9 0.1 342 129 B D H 3> S+ 0 0 25 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.884 100.0 47.0 -59.0 -41.0 -23.8 -20.5 1.5 343 130 B R H <> S+ 0 0 125 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.926 113.2 47.0 -68.5 -46.3 -26.9 -21.6 3.3 344 131 B E H X S+ 0 0 124 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.919 115.0 48.5 -57.9 -45.0 -25.4 -24.7 4.8 345 132 B W H X S+ 0 0 3 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.939 111.5 47.1 -63.8 -51.5 -22.4 -22.7 5.9 346 133 B A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.926 113.5 49.2 -58.4 -46.8 -24.3 -19.9 7.5 347 134 B R H X S+ 0 0 84 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.924 112.3 48.6 -60.4 -41.7 -26.6 -22.3 9.4 348 135 B F H X S+ 0 0 80 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.947 116.9 40.3 -63.1 -49.8 -23.6 -24.3 10.6 349 136 B F H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.857 115.4 49.5 -73.5 -34.8 -21.7 -21.3 11.9 350 137 B I H X S+ 0 0 0 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.941 113.6 46.8 -68.9 -43.8 -24.6 -19.4 13.3 351 138 B A H X S+ 0 0 26 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.918 112.5 50.8 -61.8 -42.0 -25.8 -22.5 15.2 352 139 B R H X S+ 0 0 136 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.939 112.3 46.7 -59.1 -47.3 -22.2 -23.1 16.4 353 140 B G H X S+ 0 0 8 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.900 113.3 47.9 -63.9 -43.5 -21.9 -19.5 17.6 354 141 B L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.870 108.0 55.1 -67.6 -35.3 -25.3 -19.6 19.4 355 142 B A H X S+ 0 0 47 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.933 112.8 42.4 -62.6 -44.3 -24.6 -22.9 21.1 356 143 B A H X S+ 0 0 47 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.878 114.5 51.3 -69.3 -36.9 -21.4 -21.5 22.6 357 144 B L H X S+ 0 0 3 -4,-2.2 4,-3.3 -5,-0.2 5,-0.3 0.891 104.8 56.9 -67.5 -37.6 -23.1 -18.2 23.4 358 145 B E H X S+ 0 0 14 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.934 108.9 46.2 -58.3 -46.6 -26.0 -20.0 25.2 359 146 B T H X S+ 0 0 103 -4,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.924 116.4 44.4 -61.0 -46.8 -23.5 -21.7 27.5 360 147 B A H < S+ 0 0 30 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.9 47.2 -68.5 -42.4 -21.6 -18.5 28.3 361 148 B V H X S+ 0 0 1 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.903 105.3 59.7 -66.1 -40.7 -24.7 -16.4 28.7 362 149 B R H < S+ 0 0 175 -4,-2.4 2,-1.9 -5,-0.3 -1,-0.2 0.873 94.0 69.2 -57.0 -37.3 -26.4 -18.9 31.0 363 150 B D T < S+ 0 0 137 -4,-1.3 -1,-0.2 1,-0.2 -4,-0.0 -0.560 122.0 5.2 -82.7 76.1 -23.4 -18.6 33.4 364 151 B G T 4 S+ 0 0 37 -2,-1.9 7,-2.0 1,-0.4 -1,-0.2 0.226 92.5 130.9 135.3 -12.2 -24.2 -15.1 34.6 365 152 B A B < +h 371 0D 24 -4,-1.6 -1,-0.4 5,-0.2 4,-0.2 -0.409 20.9 168.2 -66.2 142.0 -27.5 -14.1 33.0 366 153 B G S S- 0 0 21 2,-1.6 6,-0.2 5,-1.2 -1,-0.1 0.124 79.0 -33.6-110.4-119.4 -30.2 -12.6 35.2 367 154 B R S S+ 0 0 135 -2,-0.1 40,-0.2 3,-0.1 5,-0.2 0.849 140.8 29.4 -67.3 -34.4 -33.2 -11.0 33.3 368 155 B F S S- 0 0 10 3,-2.5 -2,-1.6 5,-0.1 3,-0.3 -0.469 110.1 -77.9-115.5-173.1 -30.7 -10.0 30.6 369 156 B S S S+ 0 0 1 1,-0.3 2,-0.4 -4,-0.2 3,-0.1 0.834 125.4 26.0 -60.3 -35.0 -27.4 -11.4 29.3 370 157 B H S > S- 0 0 40 3,-0.4 3,-0.8 -5,-0.1 -1,-0.3 -0.935 127.2 -53.7-130.3 108.1 -25.5 -10.0 32.3 371 158 B G B 3 S-h 365 0D 25 -7,-2.0 -3,-2.5 -2,-0.4 -5,-1.2 -0.213 96.1 -38.8 62.2-148.7 -27.5 -9.6 35.4 372 159 B D T 3 S+ 0 0 126 -6,-0.2 -1,-0.2 -5,-0.2 -7,-0.0 0.214 114.9 63.3-107.5 14.2 -30.7 -7.6 35.5 373 160 B A S < S- 0 0 56 -3,-0.8 -3,-0.4 -73,-0.0 -7,-0.1 -0.979 88.4 -95.5-133.1 151.8 -30.0 -4.6 33.2 374 161 B P + 0 0 25 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.321 46.9 175.0 -62.5 145.5 -29.3 -4.4 29.5 375 162 B T >> - 0 0 8 -4,-0.1 4,-1.2 -64,-0.0 3,-1.1 -0.814 51.6 -81.3-137.4 178.5 -25.6 -4.3 28.5 376 163 B L H 3> S+ 0 0 1 -76,-2.4 4,-1.1 -2,-0.3 5,-0.2 0.812 123.5 67.7 -53.6 -30.5 -23.5 -4.3 25.3 377 164 B A H >> S+ 0 0 3 -77,-0.3 4,-2.2 1,-0.2 3,-0.5 0.902 99.3 48.0 -59.7 -40.5 -23.9 -8.1 25.3 378 165 B D H <> S+ 0 0 0 -3,-1.1 4,-2.2 1,-0.2 -1,-0.2 0.826 103.0 62.5 -69.6 -30.2 -27.7 -7.8 24.6 379 166 B C H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.780 111.9 38.0 -64.7 -28.6 -27.0 -5.3 21.8 380 167 B Y H S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.864 112.0 56.6 -67.4 -30.2 -29.7 -8.9 16.1 384 171 B Q H X S+ 0 0 1 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.893 105.7 50.4 -68.4 -37.2 -27.8 -12.2 15.9 385 172 B L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.887 107.4 54.2 -65.1 -38.1 -31.0 -14.1 16.9 386 173 B Y H X S+ 0 0 28 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.926 109.2 48.3 -59.2 -44.0 -33.0 -12.2 14.2 387 174 B N H X S+ 0 0 8 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.888 107.4 55.9 -64.0 -38.4 -30.4 -13.3 11.6 388 175 B A H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 3,-0.3 0.904 107.3 49.1 -58.4 -43.3 -30.6 -16.9 12.9 389 176 B R H ><5S+ 0 0 115 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.889 105.2 58.3 -65.1 -39.1 -34.4 -16.9 12.3 390 177 B R H 3<5S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.5 48.9 -58.6 -31.6 -33.8 -15.5 8.8 391 178 B F T 3<5S- 0 0 35 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.312 119.7-112.3 -93.5 8.8 -31.7 -18.6 8.1 392 179 B G T < 5 + 0 0 46 -3,-1.9 2,-0.2 1,-0.2 -3,-0.2 0.687 57.2 164.9 74.0 21.7 -34.4 -20.9 9.4 393 180 B L < - 0 0 20 -5,-2.3 2,-0.4 1,-0.1 -1,-0.2 -0.516 41.3-119.7 -76.1 135.8 -32.5 -22.0 12.5 394 181 B D - 0 0 113 -2,-0.2 -1,-0.1 1,-0.1 -5,-0.0 -0.604 23.5-168.9 -69.7 122.3 -34.4 -23.7 15.4 395 182 B L > + 0 0 15 -2,-0.4 3,-2.1 1,-0.2 7,-0.2 0.420 61.1 100.7 -96.0 1.4 -33.8 -21.6 18.4 396 183 B E T 3 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.1 6,-0.1 0.870 73.9 62.2 -52.6 -39.1 -35.2 -24.1 20.9 397 184 B P T 3 S+ 0 0 66 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.514 97.6 61.2 -69.0 0.1 -31.7 -25.3 21.9 398 185 B Y <> + 0 0 17 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 -0.552 58.1 156.4-122.5 64.6 -30.9 -21.8 23.2 399 186 B P H > S+ 0 0 61 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.884 74.8 50.0 -63.5 -37.9 -33.5 -21.2 26.0 400 187 B T H > S+ 0 0 11 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.942 111.7 48.9 -63.9 -45.7 -31.4 -18.6 27.9 401 188 B L H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.906 112.1 49.1 -59.5 -40.7 -30.8 -16.6 24.7 402 189 B R H X S+ 0 0 68 -4,-2.4 4,-2.3 -7,-0.2 -1,-0.2 0.918 110.6 49.8 -65.2 -43.3 -34.6 -16.8 23.9 403 190 B R H X S+ 0 0 109 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.924 113.5 45.7 -60.2 -46.2 -35.6 -15.7 27.4 404 191 B V H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.926 110.5 54.1 -63.4 -44.1 -33.2 -12.7 27.3 405 192 B D H X S+ 0 0 19 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.907 109.0 49.3 -55.6 -41.9 -34.4 -11.8 23.7 406 193 B E H X S+ 0 0 122 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.890 109.3 51.2 -68.3 -38.4 -37.9 -11.7 25.0 407 194 B A H < S+ 0 0 5 -4,-2.0 3,-0.4 -40,-0.2 4,-0.2 0.903 112.8 46.4 -63.3 -40.6 -37.0 -9.5 28.0 408 195 B C H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 6,-0.4 0.897 104.2 61.6 -67.5 -39.9 -35.2 -7.1 25.6 409 196 B A H 3< S+ 0 0 54 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.739 96.7 59.9 -63.4 -24.7 -38.1 -7.1 23.1 410 197 B A T 3< S+ 0 0 66 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.572 87.7 95.8 -78.8 -10.4 -40.5 -5.6 25.7 411 198 B L S <> S- 0 0 57 -3,-2.1 4,-2.2 -4,-0.2 3,-0.4 -0.662 76.2-133.1 -88.7 135.2 -38.3 -2.5 26.1 412 199 B A H > S+ 0 0 68 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.851 104.4 54.1 -50.4 -43.9 -39.0 0.7 24.2 413 200 B P H > S+ 0 0 38 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.883 109.1 48.9 -64.4 -35.5 -35.4 1.2 23.0 414 201 B F H > S+ 0 0 10 -3,-0.4 4,-0.9 -6,-0.4 -2,-0.2 0.910 111.1 50.1 -66.6 -42.0 -35.3 -2.3 21.5 415 202 B Q H >< S+ 0 0 87 -4,-2.2 3,-0.6 -7,-0.2 6,-0.2 0.919 110.3 50.8 -59.0 -42.0 -38.6 -1.7 19.7 416 203 B A H 3< S+ 0 0 39 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.801 111.1 47.7 -66.5 -29.6 -37.3 1.6 18.4 417 204 B A H 3< S+ 0 0 1 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.581 84.0 116.8 -90.3 -11.5 -34.0 0.1 17.0 418 205 B H S X< S- 0 0 56 -4,-0.9 3,-1.9 -3,-0.6 4,-0.4 -0.252 76.7-115.4 -60.3 143.7 -35.7 -2.9 15.3 419 206 B P G > S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.2 0.840 112.4 59.9 -44.4 -43.5 -35.3 -3.1 11.5 420 207 B D G 3 S+ 0 0 107 1,-0.3 -2,-0.1 4,-0.1 -192,-0.1 0.666 102.0 53.7 -68.2 -16.9 -39.0 -2.7 10.9 421 208 B R G < S+ 0 0 154 -3,-1.9 -1,-0.3 -6,-0.2 -3,-0.1 0.459 85.8 107.3 -93.7 -2.5 -39.1 0.7 12.6 422 209 B Q S X S- 0 0 14 -3,-1.7 3,-1.8 -4,-0.4 -5,-0.0 -0.446 78.7-118.9 -83.0 151.4 -36.3 2.2 10.5 423 210 B P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.796 113.0 49.6 -57.8 -30.4 -37.0 4.9 7.8 424 211 B D T 3 S+ 0 0 36 -5,-0.1 -197,-0.1 2,-0.1 -4,-0.1 0.358 76.8 123.2 -95.1 6.1 -35.6 2.7 5.0 425 212 B A < 0 0 29 -3,-1.8 -5,-0.0 -6,-0.2 -199,-0.0 -0.528 360.0 360.0 -64.8 125.8 -37.6 -0.4 6.0 426 213 B P 0 0 142 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.644 360.0 360.0 -82.2 360.0 -39.6 -1.3 2.8