==== 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 HYDROLASE 30-DEC-09 3L87 . COMPND 2 MOLECULE: PEPTIDE DEFORMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,Q.CAO,X.LIU . 200 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10476.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 16.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 11 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 18.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 0 1 0 1 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 1 1 1 0 1 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 . 0 1 0 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 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 1 A M 0 0 146 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.9 27.8 -0.3 -2.6 2 2 A S > - 0 0 41 1,-0.1 4,-2.7 4,-0.0 5,-0.2 -0.199 360.0-103.4 -77.2 164.9 27.2 1.9 0.4 3 3 A A H > S+ 0 0 32 76,-0.3 4,-2.7 1,-0.2 5,-0.2 0.876 125.5 49.9 -52.9 -35.5 24.4 1.5 3.1 4 4 A I H > S+ 0 0 21 2,-0.2 4,-2.0 75,-0.2 -1,-0.2 0.940 108.8 47.1 -73.2 -49.4 22.7 4.4 1.3 5 5 A K H 4 S+ 0 0 98 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.884 118.0 46.7 -59.5 -34.1 23.0 3.0 -2.3 6 6 A T H >< S+ 0 0 54 -4,-2.7 3,-1.2 1,-0.2 -2,-0.2 0.945 113.3 44.4 -69.8 -52.4 21.7 -0.3 -0.9 7 7 A I H 3< S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.795 110.1 56.7 -66.7 -26.6 18.8 1.0 1.2 8 8 A T T 3< S+ 0 0 19 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.494 76.1 118.0 -88.1 0.7 17.6 3.4 -1.5 9 9 A K S X S- 0 0 108 -3,-1.2 3,-1.2 -4,-0.2 -3,-0.0 -0.409 75.7-122.1 -63.9 141.8 17.2 0.6 -4.2 10 10 A A T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.815 111.7 50.6 -60.4 -31.3 13.5 0.5 -5.2 11 11 A S T 3 S+ 0 0 109 2,-0.0 2,-0.4 0, 0.0 -1,-0.3 0.691 88.1 104.9 -77.5 -21.6 13.3 -3.2 -4.2 12 12 A H < - 0 0 37 -3,-1.2 2,-0.5 -6,-0.2 -5,-0.0 -0.472 47.6-172.6 -72.5 119.0 14.9 -2.6 -0.8 13 13 A L - 0 0 88 -2,-0.4 2,-0.2 38,-0.0 -5,-0.1 -0.953 29.8-120.5-101.9 129.6 12.5 -2.7 2.3 14 14 A I + 0 0 4 -2,-0.5 2,-0.2 34,-0.2 64,-0.0 -0.481 44.9 160.8 -67.4 132.5 14.3 -1.6 5.5 15 15 A D > - 0 0 47 -2,-0.2 3,-1.6 52,-0.0 4,-0.5 -0.769 56.4 -73.7-137.3-172.9 14.2 -4.3 8.2 16 16 A M T 3 S+ 0 0 25 49,-0.3 3,-0.2 50,-0.3 -2,-0.1 0.629 122.5 64.3 -60.8 -18.7 16.1 -5.2 11.4 17 17 A N T 3 S+ 0 0 149 1,-0.2 -1,-0.3 3,-0.0 -3,-0.1 0.679 98.6 54.7 -81.9 -18.3 19.2 -6.3 9.5 18 18 A D S < S+ 0 0 33 -3,-1.6 2,-0.5 2,-0.1 -1,-0.2 0.656 92.3 88.8 -80.4 -20.7 19.7 -2.8 8.2 19 19 A I S S- 0 0 6 -4,-0.5 59,-0.2 -3,-0.2 2,-0.1 -0.724 71.5-146.3 -85.6 118.5 19.7 -1.4 11.8 20 20 A I - 0 0 25 57,-2.6 2,-0.3 -2,-0.5 3,-0.1 -0.419 18.0-129.2 -83.8 158.9 23.1 -1.3 13.5 21 21 A R > - 0 0 79 1,-0.1 3,-2.4 -2,-0.1 110,-0.2 -0.734 32.8 -68.5-120.8 159.0 23.3 -1.9 17.2 22 22 A E T 3 S+ 0 0 73 108,-3.5 -1,-0.1 -2,-0.3 110,-0.1 -0.145 118.9 41.8 -38.3 123.7 24.8 -0.4 20.2 23 23 A G T 3 S+ 0 0 76 1,-0.5 -1,-0.3 -3,-0.1 5,-0.0 -0.003 78.8 119.5 121.7 -27.9 28.6 -0.8 19.9 24 24 A H X - 0 0 66 -3,-2.4 3,-1.4 1,-0.1 -1,-0.5 -0.538 67.3-131.2 -67.2 129.6 28.9 0.1 16.2 25 25 A P G >> S+ 0 0 100 0, 0.0 3,-1.6 0, 0.0 4,-0.5 0.785 99.7 68.8 -57.4 -28.2 31.2 3.2 15.8 26 26 A T G 34 S+ 0 0 26 1,-0.3 3,-0.4 2,-0.2 152,-0.1 0.751 91.4 60.9 -66.8 -25.4 28.7 5.0 13.5 27 27 A L G <4 S+ 0 0 2 -3,-1.4 -1,-0.3 1,-0.2 4,-0.1 0.644 108.9 43.9 -69.6 -17.7 26.2 5.5 16.4 28 28 A R T <4 S+ 0 0 115 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.445 95.0 95.5-108.3 -3.3 28.9 7.5 18.3 29 29 A A S < S- 0 0 38 -4,-0.5 2,-0.5 -3,-0.4 149,-0.2 -0.508 84.5-108.9 -79.6 154.1 30.1 9.6 15.3 30 30 A V - 0 0 89 -2,-0.2 147,-0.2 147,-0.1 146,-0.1 -0.759 42.8-118.9 -83.9 125.6 28.7 13.1 14.7 31 31 A A - 0 0 4 145,-2.5 2,-0.3 -2,-0.5 51,-0.2 -0.269 25.0-110.1 -65.7 155.7 26.5 12.9 11.6 32 32 A Q B -a 82 0A 129 49,-1.9 51,-2.6 1,-0.1 77,-0.2 -0.646 31.0-110.9 -86.8 143.0 27.3 14.9 8.5 33 33 A D - 0 0 101 -2,-0.3 2,-0.3 49,-0.2 -1,-0.1 -0.429 30.7-124.0 -64.6 143.5 25.1 17.8 7.4 34 34 A V - 0 0 7 49,-0.3 2,-0.2 -2,-0.1 4,-0.1 -0.736 24.3-130.7 -87.8 150.4 23.1 17.1 4.3 35 35 A T - 0 0 101 -2,-0.3 4,-0.4 2,-0.1 74,-0.0 -0.583 34.0 -83.6 -98.4 155.2 23.6 19.7 1.5 36 36 A F S S+ 0 0 69 -2,-0.2 2,-0.2 2,-0.1 118,-0.0 -0.836 101.7 41.2-118.8 154.3 20.8 21.4 -0.4 37 37 A P S S- 0 0 117 0, 0.0 -2,-0.1 0, 0.0 117,-0.1 0.651 103.2-112.1 -65.6 145.9 18.9 21.1 -2.7 38 38 A L - 0 0 6 -2,-0.2 -2,-0.1 114,-0.1 2,-0.1 -0.136 22.9-125.2 -50.9 129.5 18.5 17.5 -1.5 39 39 A N > - 0 0 71 -4,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.493 28.6-110.1 -73.9 160.7 19.9 14.7 -3.7 40 40 A E H > S+ 0 0 132 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.757 116.5 60.6 -68.9 -25.0 17.4 12.1 -4.6 41 41 A D H > S+ 0 0 61 2,-0.2 4,-3.6 1,-0.2 -1,-0.2 0.928 106.2 46.8 -60.2 -52.6 19.2 9.5 -2.4 42 42 A D H > S+ 0 0 3 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.844 114.6 49.4 -56.5 -39.5 18.6 11.6 0.7 43 43 A I H X S+ 0 0 20 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.925 115.2 40.7 -66.7 -50.2 15.0 12.1 -0.5 44 44 A I H X S+ 0 0 49 -4,-3.2 4,-2.8 2,-0.2 5,-0.2 0.907 109.0 62.3 -66.1 -40.1 14.3 8.3 -1.0 45 45 A L H X S+ 0 0 0 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.918 105.7 47.4 -50.9 -43.8 16.3 7.5 2.2 46 46 A G H X S+ 0 0 0 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.880 109.2 50.2 -67.6 -44.0 13.6 9.5 4.1 47 47 A E H X S+ 0 0 122 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.906 110.6 52.7 -58.6 -40.8 10.6 7.8 2.4 48 48 A K H X S+ 0 0 31 -4,-2.8 4,-2.7 2,-0.2 -34,-0.2 0.895 107.5 51.0 -62.0 -41.1 12.2 4.4 3.2 49 49 A M H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 -1,-0.2 0.926 111.9 45.8 -62.8 -46.4 12.6 5.4 6.9 50 50 A L H X S+ 0 0 13 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.901 112.1 52.0 -63.1 -42.7 8.9 6.5 7.2 51 51 A Q H X S+ 0 0 87 -4,-2.6 4,-3.2 2,-0.2 5,-0.2 0.942 107.7 52.8 -59.3 -42.3 7.8 3.3 5.3 52 52 A F H X S+ 0 0 2 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.939 109.2 48.8 -56.3 -47.6 9.9 1.2 7.8 53 53 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 17,-0.3 0.882 111.9 48.8 -64.4 -37.4 8.1 3.0 10.7 54 54 A K H >X S+ 0 0 44 -4,-2.7 3,-1.7 2,-0.2 4,-1.5 0.996 113.4 47.2 -55.7 -59.7 4.7 2.3 9.0 55 55 A N H >< S+ 0 0 18 -4,-3.2 3,-0.6 1,-0.3 7,-0.5 0.875 111.3 51.4 -48.6 -45.6 5.7 -1.4 8.5 56 56 A S H 3< S+ 0 0 6 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.689 111.8 46.6 -70.4 -21.5 6.9 -1.7 12.1 57 57 A Q H << S+ 0 0 57 -3,-1.7 -1,-0.2 -4,-1.0 -2,-0.2 0.588 93.1 86.4 -94.0 -19.0 3.6 -0.3 13.5 58 58 A D S S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.851 96.0 48.5 -47.1 -40.6 0.7 -5.8 13.2 60 60 A V H > S+ 0 0 103 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.867 116.5 38.0 -78.1 -41.0 0.7 -7.8 9.9 61 61 A T H > S+ 0 0 36 -6,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 115.4 55.9 -75.8 -37.8 3.8 -6.5 8.3 62 62 A A H X>S+ 0 0 13 -4,-2.6 5,-2.1 -7,-0.5 4,-1.7 0.966 111.0 40.0 -59.0 -61.1 5.8 -6.3 11.6 63 63 A E H <5S+ 0 0 148 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.912 119.6 47.6 -56.1 -43.3 5.4 -9.9 12.6 64 64 A K H <5S+ 0 0 143 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.845 120.6 36.1 -66.6 -38.4 5.9 -11.1 9.0 65 65 A M H <5S- 0 0 23 -4,-2.6 -49,-0.3 -10,-0.1 -1,-0.2 0.566 110.6-123.6 -90.1 -9.7 9.0 -8.9 8.5 66 66 A E T <5 + 0 0 156 -4,-1.7 -50,-0.3 -5,-0.2 2,-0.3 0.964 50.9 165.9 61.9 58.7 10.1 -9.4 12.1 67 67 A L < - 0 0 21 -5,-2.1 2,-0.4 -12,-0.1 -1,-0.2 -0.746 37.8-134.3-105.0 150.7 10.2 -5.8 13.0 68 68 A R - 0 0 103 -2,-0.3 -12,-0.1 1,-0.0 2,-0.1 -0.855 42.3-102.3-102.5 137.5 10.4 -4.2 16.4 69 69 A G + 0 0 52 -2,-0.4 2,-0.3 -12,-0.1 -12,-0.1 -0.339 47.9 174.5 -74.8 144.5 7.9 -1.3 16.7 70 70 A G - 0 0 11 -17,-0.3 3,-0.1 -18,-0.1 58,-0.0 -0.942 35.8-168.3-144.8 163.0 9.1 2.3 16.4 71 71 A V S S+ 0 0 35 1,-0.3 17,-3.6 -2,-0.3 2,-0.3 0.362 83.1 27.9-128.7 -3.2 8.0 5.9 16.2 72 72 A G E -B 87 0B 5 15,-0.3 -1,-0.3 16,-0.0 2,-0.3 -0.969 58.6-178.6-151.2 160.2 11.3 7.5 15.1 73 73 A L E -B 86 0B 0 13,-2.1 13,-3.2 -2,-0.3 2,-0.4 -0.950 11.1-152.3-161.0 145.1 14.4 6.5 13.3 74 74 A A E > -B 85 0B 0 -2,-0.3 3,-2.5 11,-0.2 4,-0.3 -0.983 25.8-121.7-129.5 141.6 17.7 8.3 12.4 75 75 A A G > >S+ 0 0 0 9,-3.0 3,-2.8 -2,-0.4 5,-1.8 0.809 107.8 65.6 -52.9 -37.8 20.0 7.7 9.5 76 76 A P G > 5S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 0.813 93.8 61.1 -57.3 -24.7 23.0 6.9 11.7 77 77 A Q G < 5S+ 0 0 2 -3,-2.5 -57,-2.6 1,-0.3 -2,-0.2 0.544 102.1 52.6 -77.2 -4.8 21.2 3.7 12.9 78 78 A L G < 5S- 0 0 2 -3,-2.8 -1,-0.3 -4,-0.3 -71,-0.1 0.073 126.0-103.9-108.1 14.5 21.2 2.5 9.3 79 79 A D T < 5S+ 0 0 64 -3,-1.5 2,-0.5 1,-0.2 -76,-0.3 0.802 88.6 123.9 55.5 35.8 25.0 3.1 9.2 80 80 A I < - 0 0 9 -5,-1.8 2,-2.4 -6,-0.1 -2,-0.2 -0.923 53.9-152.4-119.9 98.6 24.4 6.3 7.1 81 81 A S + 0 0 35 -2,-0.5 -49,-1.9 -5,-0.1 2,-0.3 -0.468 52.2 117.8 -75.1 70.2 26.1 9.1 9.1 82 82 A K B S-a 32 0A 49 -2,-2.4 2,-2.1 -51,-0.2 -49,-0.2 -0.981 76.7-104.7-134.4 152.5 23.9 12.0 7.9 83 83 A R S S+ 0 0 43 -51,-2.6 26,-2.7 -2,-0.3 2,-0.4 -0.502 72.4 127.1 -76.5 81.5 21.6 14.3 9.7 84 84 A I E + C 0 108B 0 -2,-2.1 -9,-3.0 24,-0.2 2,-0.3 -0.998 29.2 174.1-139.7 130.5 18.3 12.7 8.7 85 85 A I E -BC 74 107B 0 22,-2.1 22,-2.7 -2,-0.4 2,-0.4 -0.970 15.6-156.2-133.8 153.6 15.5 11.6 11.0 86 86 A A E -BC 73 106B 0 -13,-3.2 -13,-2.1 -2,-0.3 2,-0.4 -0.983 8.6-170.8-125.4 139.3 12.1 10.3 10.5 87 87 A V E +BC 72 105B 0 18,-2.2 18,-1.8 -2,-0.4 2,-0.3 -0.990 7.5 178.4-126.5 140.5 9.3 10.5 13.1 88 88 A L E + C 0 104B 0 -17,-3.6 16,-0.2 -2,-0.4 -18,-0.1 -0.735 10.6 175.1-143.3 93.1 5.9 8.7 12.8 89 89 A I E - C 0 103B 2 14,-3.0 13,-2.8 -2,-0.3 14,-1.4 -0.876 20.9-140.4-111.9 115.4 3.8 9.3 15.8 90 90 A P E - C 0 101B 57 0, 0.0 11,-0.3 0, 0.0 10,-0.1 -0.497 22.3-113.5 -74.4 140.6 0.2 8.0 15.9 91 91 A N - 0 0 52 9,-2.2 0, 0.0 8,-0.3 0, 0.0 -0.420 44.3 -96.5 -60.1 145.2 -2.6 10.1 17.4 92 92 A P - 0 0 106 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.226 37.7-117.8 -66.8 156.2 -4.0 8.5 20.6 93 93 A E 0 0 148 3,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.589 360.0 360.0 -85.2 151.4 -7.1 6.4 20.6 94 94 A D 0 0 197 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.643 360.0 360.0 165.9 360.0 -10.5 7.0 22.3 95 ! 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 96 99 A P 0 0 119 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 122.3 -9.4 5.2 17.3 97 100 A P - 0 0 54 0, 0.0 -4,-0.1 0, 0.0 -6,-0.0 -0.311 360.0-136.2 -77.4 151.3 -8.5 8.7 16.0 98 101 A K S S+ 0 0 120 1,-0.1 2,-0.5 -2,-0.1 0, 0.0 0.743 101.7 46.0 -69.8 -27.3 -10.0 10.6 13.0 99 102 A E S S- 0 0 59 1,-0.1 -8,-0.3 0, 0.0 -1,-0.1 -0.986 81.8-146.9-118.3 121.6 -6.5 11.6 11.9 100 103 A A S S+ 0 0 61 -2,-0.5 -9,-2.2 -10,-0.1 2,-0.4 0.897 72.3 43.5 -62.1 -41.1 -4.0 8.8 12.0 101 104 A Y E -C 90 0B 75 -11,-0.3 3,-0.2 1,-0.2 -1,-0.1 -0.896 48.2-162.7-122.4 133.4 -0.8 10.6 13.0 102 105 A A E S+ 0 0 37 -13,-2.8 2,-0.4 -2,-0.4 -1,-0.2 0.917 92.5 2.1 -67.0 -49.1 0.2 13.3 15.4 103 106 A L E +C 89 0B 16 -14,-1.4 -14,-3.0 2,-0.0 2,-0.4 -0.992 61.8 174.0-146.7 134.8 3.4 14.0 13.6 104 107 A K E +C 88 0B 95 -2,-0.4 2,-0.3 -16,-0.2 -16,-0.2 -0.943 29.8 131.9-144.8 113.2 4.7 12.5 10.4 105 108 A E E -C 87 0B 65 -18,-1.8 -18,-2.2 -2,-0.4 2,-0.5 -0.958 48.1-141.2-164.8 137.2 7.9 14.1 9.1 106 109 A V E -C 86 0B 21 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.2 -0.940 30.6-157.4-100.4 129.8 11.3 13.5 7.7 107 110 A M E -C 85 0B 0 -22,-2.7 -22,-2.1 -2,-0.5 2,-0.4 -0.924 5.2-157.4-114.1 133.7 13.7 16.2 9.1 108 111 A Y E S-CD 84 150B 1 42,-2.0 42,-2.0 -2,-0.4 -24,-0.2 -0.869 77.3 -8.8-109.2 137.4 17.0 17.2 7.5 109 112 A N E S- 0 0 21 -26,-2.7 -1,-0.2 -2,-0.4 -25,-0.1 0.865 88.7-173.2 40.4 48.0 19.8 18.8 9.5 110 113 A P E + 0 0 1 0, 0.0 2,-0.3 0, 0.0 39,-0.2 -0.412 8.5 169.9 -70.2 144.9 17.4 19.2 12.5 111 114 A R E - D 0 148B 120 37,-2.0 37,-2.2 -2,-0.1 2,-0.5 -0.986 38.8-111.9-156.9 144.9 18.5 21.1 15.5 112 115 A I E + D 0 147B 51 -2,-0.3 35,-0.2 35,-0.2 3,-0.1 -0.651 34.2 168.1 -77.9 116.7 17.2 22.6 18.8 113 116 A I E S+ 0 0 67 33,-2.7 2,-0.3 -2,-0.5 -1,-0.2 0.584 71.7 16.1-102.3 -17.3 17.3 26.4 18.5 114 117 A A E + D 0 146B 45 32,-1.2 32,-3.0 2,-0.0 -1,-0.4 -0.976 65.9 173.9-153.2 145.9 15.2 27.0 21.6 115 118 A H E - D 0 145B 105 -2,-0.3 30,-0.2 30,-0.3 2,-0.1 -0.976 33.8-100.8-150.2 152.2 14.1 24.8 24.6 116 119 A S - 0 0 15 28,-1.9 27,-0.1 -2,-0.3 -2,-0.0 -0.373 22.2-129.5 -63.6 150.0 12.2 25.2 27.9 117 120 A V S S+ 0 0 144 25,-0.1 -1,-0.1 -2,-0.1 0, 0.0 0.944 89.0 90.5 -62.3 -46.7 14.1 25.5 31.2 118 121 A Q S S- 0 0 65 24,-0.1 25,-2.8 1,-0.1 26,-0.4 -0.177 72.6-142.9 -53.9 129.1 11.7 22.8 32.5 119 122 A D E -F 142 0C 64 23,-0.3 79,-1.8 24,-0.1 2,-0.3 -0.597 17.3-172.2 -87.0 156.5 12.9 19.2 32.0 120 123 A A E -Fg 141 198C 0 21,-2.7 21,-3.0 -2,-0.2 2,-0.3 -0.980 8.1-178.3-143.9 161.0 10.7 16.2 31.1 121 124 A A E - g 0 199C 0 77,-2.0 79,-2.5 -2,-0.3 2,-0.2 -0.980 36.1-103.4-150.3 148.6 11.0 12.4 30.9 122 125 A L E > - g 0 200C 29 17,-0.3 3,-1.2 -2,-0.3 17,-0.4 -0.572 28.3-137.5 -66.3 137.1 8.7 9.5 29.9 123 126 A A T 3 S+ 0 0 31 77,-1.8 78,-0.1 1,-0.3 -1,-0.1 0.858 104.6 51.6 -65.9 -37.2 7.6 7.7 33.1 124 127 A D T 3 S- 0 0 150 76,-0.4 -1,-0.3 1,-0.3 77,-0.1 0.230 110.7-127.9 -85.7 10.3 8.2 4.3 31.4 125 128 A G < - 0 0 10 -3,-1.2 -1,-0.3 11,-0.1 2,-0.3 -0.231 33.6 -74.5 69.4-167.0 11.7 5.3 30.3 126 129 A E - 0 0 24 11,-0.4 2,-0.3 9,-0.4 9,-0.2 -0.860 33.5-158.6-127.0 161.7 12.8 4.9 26.7 127 130 A G - 0 0 45 -2,-0.3 2,-0.3 7,-0.1 5,-0.1 -0.816 6.2-153.4-129.3 168.0 13.8 2.2 24.3 128 131 A X > - 0 0 7 3,-0.4 3,-2.7 -2,-0.3 -58,-0.0 -0.952 24.0-134.9-148.9 130.6 15.8 2.1 21.1 129 132 A L T 3 S+ 0 0 12 -2,-0.3 -110,-0.1 1,-0.3 -1,-0.1 0.724 112.9 51.8 -45.7 -28.6 15.8 -0.2 18.0 130 133 A S T 3 S+ 0 0 0 -109,-0.1 -108,-3.5 1,-0.1 2,-0.7 0.455 95.1 79.8 -92.3 -4.1 19.6 -0.2 18.3 131 134 A V < - 0 0 3 -3,-2.7 -3,-0.4 -110,-0.2 2,-0.2 -0.903 53.2-177.7-115.3 107.9 19.6 -1.1 22.0 132 135 A D + 0 0 97 -2,-0.7 2,-0.3 -110,-0.1 -1,-0.1 -0.253 60.3 65.5 -99.4 45.4 19.2 -4.9 22.6 133 136 A R S S- 0 0 122 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.942 88.1 -92.6-151.4 170.9 19.2 -4.8 26.4 134 137 A V + 0 0 117 -2,-0.3 2,-0.4 -7,-0.1 -2,-0.1 -0.762 35.8 178.3 -92.1 130.6 17.1 -3.4 29.2 135 138 A V - 0 0 30 -2,-0.4 -9,-0.4 -9,-0.2 2,-0.3 -0.862 11.4-163.3-132.8 104.7 18.1 0.0 30.5 136 139 A E + 0 0 133 -2,-0.4 2,-0.2 -11,-0.1 -11,-0.1 -0.591 38.0 80.6 -90.8 141.5 15.8 1.3 33.3 137 140 A G S S- 0 0 1 -2,-0.3 2,-0.5 -14,-0.1 -11,-0.4 -0.634 78.8 -70.4 141.5 159.3 15.7 4.9 34.3 138 141 A Y - 0 0 35 52,-3.3 2,-0.9 -2,-0.2 48,-0.5 -0.699 39.5-144.9 -81.5 122.2 14.3 8.3 33.5 139 142 A V B -H 185 0D 2 -2,-0.5 2,-0.4 -17,-0.4 -17,-0.3 -0.837 22.6-137.1 -93.1 107.4 15.9 9.7 30.3 140 143 A I + 0 0 54 44,-2.2 2,-0.2 -2,-0.9 -19,-0.2 -0.498 36.8 156.6 -78.6 121.0 16.1 13.4 31.2 141 144 A R E -F 120 0C 6 -21,-3.0 -21,-2.7 -2,-0.4 2,-0.3 -0.728 47.8 -83.3-129.6 179.0 15.1 15.7 28.3 142 145 A H E -F 119 0C 44 -23,-0.3 -23,-0.3 -2,-0.2 28,-0.1 -0.714 33.1-137.2 -83.2 139.8 13.7 19.4 27.7 143 146 A S S S+ 0 0 6 -25,-2.8 20,-0.4 -2,-0.3 2,-0.3 0.940 86.4 21.2 -61.7 -49.5 10.0 19.5 28.1 144 147 A R + 0 0 119 -26,-0.4 -28,-1.9 18,-0.2 2,-0.3 -0.890 69.5 179.5-125.8 153.8 9.6 21.8 25.1 145 148 A V E -DE 115 161B 3 16,-1.8 16,-3.1 -2,-0.3 2,-0.5 -0.971 22.1-144.6-147.1 151.0 11.8 22.4 22.0 146 149 A T E -DE 114 160B 23 -32,-3.0 -33,-2.7 -2,-0.3 -32,-1.2 -0.996 24.9-158.1-117.8 124.9 11.8 24.5 18.9 147 150 A I E -DE 112 159B 0 12,-3.1 12,-2.2 -2,-0.5 2,-0.5 -0.833 11.3-157.5-102.6 138.2 13.5 22.7 16.0 148 151 A E E +DE 111 158B 35 -37,-2.2 -37,-2.0 -2,-0.4 2,-0.3 -0.939 36.3 138.8-100.9 133.2 14.9 24.3 12.9 149 152 A Y E - E 0 157B 11 8,-2.1 8,-4.1 -2,-0.5 2,-0.3 -0.962 47.5-114.1-161.4 169.2 15.1 21.8 10.0 150 153 A Y E -DE 108 156B 53 -42,-2.0 -42,-2.0 -2,-0.3 6,-0.2 -0.896 28.3-140.0-108.6 144.5 14.6 21.4 6.2 151 154 A D > - 0 0 24 4,-2.1 3,-1.7 -2,-0.3 -44,-0.1 -0.100 43.0 -79.6 -92.5-168.9 11.8 19.2 4.7 152 155 A K T 3 S+ 0 0 92 1,-0.3 -114,-0.1 2,-0.1 -1,-0.1 0.740 131.8 60.5 -67.2 -18.8 12.1 17.0 1.7 153 156 A N T 3 S- 0 0 99 2,-0.1 -1,-0.3 -116,-0.1 3,-0.1 0.289 118.4-113.0 -86.2 14.5 11.6 20.1 -0.4 154 157 A S < + 0 0 27 -3,-1.7 2,-0.5 1,-0.2 -2,-0.1 0.753 69.2 152.2 50.4 28.5 14.8 21.5 1.0 155 158 A D - 0 0 80 1,-0.0 -4,-2.1 -118,-0.0 2,-0.3 -0.772 50.1-119.6 -89.5 132.2 12.4 24.1 2.7 156 159 A K E -E 150 0B 118 -2,-0.5 2,-0.3 -6,-0.2 -6,-0.3 -0.518 39.3-176.3 -71.1 126.4 13.5 25.6 6.0 157 160 A K E -E 149 0B 85 -8,-4.1 -8,-2.1 -2,-0.3 2,-0.4 -0.864 19.1-161.2-123.1 158.4 11.0 24.8 8.7 158 161 A K E +E 148 0B 150 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.992 15.6 179.4-137.3 137.7 10.7 25.7 12.3 159 162 A L E -E 147 0B 53 -12,-2.2 -12,-3.1 -2,-0.4 2,-0.4 -0.982 21.0-145.7-149.9 131.1 8.5 23.7 14.7 160 163 A K E -E 146 0B 172 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.801 25.3-170.6 -94.2 132.5 7.6 24.0 18.4 161 164 A L E -E 145 0B 9 -16,-3.1 -16,-1.8 -2,-0.4 2,-0.3 -0.944 8.8-177.7-128.5 146.2 7.1 20.6 20.2 162 165 A K >> - 0 0 163 -2,-0.3 4,-1.1 -18,-0.2 3,-0.8 -0.867 48.2 -10.5-132.7 173.3 5.8 19.5 23.5 163 166 A G H 3> S+ 0 0 22 -20,-0.4 4,-2.0 -2,-0.3 3,-0.3 -0.024 122.5 3.4 44.3-131.9 5.3 16.4 25.5 164 167 A Y H 3> S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.864 133.2 48.7 -54.7 -45.9 5.6 13.1 23.8 165 168 A Q H <> S+ 0 0 51 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.876 107.8 54.6 -69.2 -30.0 6.7 14.4 20.4 166 169 A S H X S+ 0 0 0 -4,-1.1 4,-2.4 -3,-0.3 -1,-0.2 0.922 108.5 49.9 -61.6 -46.0 9.3 16.6 21.8 167 170 A I H X S+ 0 0 3 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.955 112.1 47.5 -55.4 -52.3 10.8 13.6 23.6 168 171 A V H X S+ 0 0 9 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.930 112.0 49.1 -56.5 -49.2 10.8 11.5 20.3 169 172 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.919 110.8 50.4 -66.2 -38.2 12.4 14.3 18.3 170 173 A Q H X S+ 0 0 7 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.892 108.2 53.8 -60.4 -43.9 15.1 14.9 20.8 171 174 A H H X S+ 0 0 13 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.913 113.4 41.6 -53.1 -50.4 15.9 11.1 20.9 172 175 A E H X S+ 0 0 12 -4,-2.0 4,-0.9 2,-0.2 3,-0.3 0.895 111.7 52.9 -75.4 -44.0 16.3 11.1 17.1 173 176 A I H >X S+ 0 0 5 -4,-2.5 3,-1.1 1,-0.2 4,-0.5 0.922 104.3 60.3 -55.1 -45.0 18.3 14.4 16.9 174 177 A D H ><>S+ 0 0 13 -4,-2.5 5,-2.3 1,-0.3 3,-1.6 0.861 96.9 59.0 -48.8 -44.8 20.6 12.9 19.5 175 178 A H H ><5S+ 0 0 1 -4,-1.1 3,-1.0 -3,-0.3 -1,-0.3 0.833 100.5 56.0 -50.7 -38.9 21.5 10.0 17.2 176 179 A T H <<5S+ 0 0 0 -3,-1.1 -145,-2.5 -4,-0.9 -1,-0.3 0.591 109.5 47.1 -73.6 -10.4 22.7 12.6 14.7 177 180 A N T <<5S- 0 0 60 -3,-1.6 -1,-0.2 -4,-0.5 -2,-0.2 0.251 121.6-102.3-112.6 9.9 25.1 13.9 17.4 178 181 A G T < 5S+ 0 0 6 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.758 79.3 132.6 80.3 25.7 26.5 10.5 18.5 179 182 A I < - 0 0 44 -5,-2.3 2,-0.3 -6,-0.1 -1,-0.2 -0.934 39.6-159.3-120.3 132.1 24.3 10.3 21.7 180 183 A M > - 0 0 2 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.777 32.7-109.1-112.0 152.5 22.2 7.3 22.8 181 184 A F G > S+ 0 0 6 -2,-0.3 3,-1.6 1,-0.3 -41,-0.1 0.764 113.5 63.5 -55.2 -32.2 19.3 7.5 25.2 182 185 A F G > S+ 0 0 39 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.644 87.7 73.5 -73.0 -11.6 21.1 5.9 28.1 183 186 A D G < S+ 0 0 70 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.767 95.8 50.9 -65.9 -29.8 23.6 8.8 28.2 184 187 A R G < S+ 0 0 90 -3,-1.6 -44,-2.2 -4,-0.3 2,-0.4 0.152 89.2 99.4 -97.7 10.7 20.8 10.9 29.7 185 188 A I B < S-H 139 0D 21 -3,-1.2 2,-0.9 -46,-0.2 -46,-0.1 -0.851 79.9-121.4 -92.2 133.4 20.0 8.4 32.5 186 189 A N - 0 0 75 -48,-0.5 6,-0.2 -2,-0.4 -48,-0.1 -0.703 21.6-162.3 -74.1 110.7 21.5 9.1 35.9 187 190 A E S S+ 0 0 184 -2,-0.9 -1,-0.2 2,-0.2 -3,-0.0 0.890 86.5 56.6 -61.0 -45.9 23.6 6.0 36.6 188 191 A K S S+ 0 0 89 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.0 0.972 133.5 2.6 -44.0 -75.5 23.8 6.7 40.4 189 192 A N > - 0 0 80 1,-0.1 3,-1.8 3,-0.0 -1,-0.3 -0.842 68.6-173.1-117.1 98.7 19.9 6.9 40.8 190 193 A P T 3 S+ 0 0 37 0, 0.0 -52,-3.3 0, 0.0 -4,-0.3 0.696 87.2 46.2 -58.3 -25.3 18.2 6.1 37.4 191 194 A F T 3 S+ 0 0 83 -54,-0.2 2,-0.3 -6,-0.1 -54,-0.1 -0.032 80.6 137.4-111.2 33.6 14.8 7.0 38.9 192 195 A E < - 0 0 110 -3,-1.8 2,-0.7 -6,-0.2 -6,-0.1 -0.587 40.9-152.9 -74.7 134.1 15.7 10.3 40.6 193 196 A I - 0 0 95 -2,-0.3 2,-0.2 6,-0.0 3,-0.1 -0.923 5.7-159.0-109.3 104.8 13.3 13.1 40.2 194 197 A K > - 0 0 62 -2,-0.7 3,-1.9 1,-0.1 0, 0.0 -0.596 43.0 -84.8 -69.5 144.3 14.9 16.6 40.5 195 198 A E T 3 S+ 0 0 199 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.188 117.7 29.2 -48.5 137.0 12.4 19.3 41.4 196 199 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.2 -3,-0.1 2,-0.0 -0.039 83.6 138.1 100.0 -33.4 10.6 20.6 38.3 197 200 A L < - 0 0 23 -3,-1.9 2,-0.5 -79,-0.1 -1,-0.3 -0.259 40.8-152.7 -56.9 123.8 10.9 17.3 36.3 198 201 A L E -g 120 0C 74 -79,-1.8 -77,-2.0 -3,-0.1 2,-0.4 -0.854 4.8-150.1 -96.4 129.9 7.7 16.6 34.5 199 202 A L E -g 121 0C 65 -2,-0.5 2,-0.8 -79,-0.2 -77,-0.2 -0.853 6.8-142.0-104.7 138.0 7.0 13.0 33.8 200 203 A I E g 122 0C 36 -79,-2.5 -77,-1.8 -2,-0.4 -76,-0.4 -0.847 360.0 360.0-102.4 102.0 5.0 11.9 30.8 201 204 A E 0 0 121 -2,-0.8 -77,-0.2 -79,-0.2 -1,-0.2 0.942 360.0 360.0 -85.5 360.0 2.7 9.1 31.9