==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-FEB-00 1EF9 . COMPND 2 MOLECULE: METHYLMALONYL COA DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.M.BENNING,T.HALLER,J.A.GERLT,H.M.HOLDEN . 261 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13462.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 3.8 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 1 1 0 0 1 2 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 0 197 0, 0.0 2,-0.4 0, 0.0 7,-0.1 0.000 360.0 360.0 360.0-139.7 -33.7 -19.3 49.9 2 2 A S - 0 0 102 5,-0.1 2,-0.3 0, 0.0 5,-0.1 -1.000 360.0-176.9-136.9 131.7 -31.9 -22.6 49.9 3 3 A Y - 0 0 33 3,-0.5 5,-0.0 -2,-0.4 33,-0.0 -0.932 23.7-140.8-129.9 152.4 -29.1 -23.7 47.6 4 4 A Q S S+ 0 0 120 -2,-0.3 -1,-0.1 1,-0.1 28,-0.1 0.919 101.0 27.7 -74.7 -50.7 -27.2 -27.0 47.2 5 5 A Y S S+ 0 0 29 26,-0.2 15,-3.3 27,-0.1 2,-0.2 0.674 122.5 51.2 -87.7 -22.4 -23.7 -25.9 46.5 6 6 A V E -A 19 0A 0 13,-0.2 -3,-0.5 14,-0.1 2,-0.3 -0.745 59.7-151.0-120.0 167.4 -24.0 -22.6 48.4 7 7 A N E -A 18 0A 69 11,-1.3 11,-1.5 -2,-0.2 2,-0.2 -0.841 16.9-165.4-138.7 96.9 -25.0 -21.2 51.8 8 8 A V E -A 17 0A 43 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.453 6.7-177.4 -83.6 147.9 -26.4 -17.5 52.1 9 9 A V E -A 16 0A 72 7,-0.6 7,-2.7 -2,-0.2 2,-0.5 -0.976 13.1-148.0-149.2 134.5 -26.8 -15.6 55.3 10 10 A T E +A 15 0A 70 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.889 15.6 174.3-111.6 134.7 -28.1 -12.2 56.0 11 11 A I E > S-A 14 0A 71 3,-2.3 3,-1.8 -2,-0.5 2,-0.4 -0.903 73.4 -52.7-132.4 96.7 -27.0 -9.8 58.8 12 12 A N T 3 S- 0 0 121 -2,-0.4 184,-0.0 1,-0.2 35,-0.0 -0.598 120.6 -23.8 68.9-126.5 -28.7 -6.6 58.5 13 13 A K T 3 S+ 0 0 66 -2,-0.4 36,-3.7 -3,-0.1 37,-1.0 0.122 117.5 100.9-106.4 18.8 -28.1 -5.5 54.9 14 14 A V E < -Ab 11 50A 0 -3,-1.8 -3,-2.3 34,-0.2 2,-0.4 -0.924 56.7-161.2-105.9 113.4 -25.0 -7.6 54.5 15 15 A A E -Ab 10 51A 0 35,-2.2 37,-0.6 -2,-0.6 2,-0.5 -0.772 2.3-159.4 -97.6 141.5 -25.4 -10.8 52.6 16 16 A V E -Ab 9 52A 13 -7,-2.7 -7,-0.6 -2,-0.4 2,-0.5 -0.883 1.2-160.5-128.0 109.5 -22.8 -13.6 53.0 17 17 A I E -Ab 8 53A 0 35,-2.2 37,-1.7 -2,-0.5 2,-0.5 -0.712 9.7-165.1 -87.7 124.7 -22.4 -16.3 50.5 18 18 A E E -Ab 7 54A 52 -11,-1.5 -11,-1.3 -2,-0.5 37,-0.2 -0.910 20.7-122.9-115.4 121.6 -20.6 -19.4 51.7 19 19 A F E -A 6 0A 2 35,-2.9 -13,-0.2 -2,-0.5 3,-0.1 -0.400 22.0-174.0 -63.5 129.6 -19.2 -22.1 49.4 20 20 A N + 0 0 74 -15,-3.3 3,-0.1 -2,-0.2 -1,-0.1 -0.412 53.3 102.7-116.3 48.8 -20.6 -25.5 50.2 21 21 A Y > > + 0 0 12 1,-0.1 5,-1.8 2,-0.1 3,-1.1 -0.185 30.8 142.0-121.1 32.0 -18.5 -27.7 47.7 22 22 A G G > 5 + 0 0 51 1,-0.2 3,-2.0 3,-0.2 -1,-0.1 0.839 65.0 63.3 -43.9 -41.9 -16.1 -29.1 50.2 23 23 A R G 3 5S+ 0 0 179 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.908 112.7 34.2 -53.9 -43.1 -16.1 -32.6 48.5 24 24 A K G X 5S- 0 0 87 -3,-1.1 3,-1.5 3,-0.1 40,-0.3 0.016 116.7-112.2 -98.8 25.0 -14.5 -31.1 45.3 25 25 A L T < 5 - 0 0 89 -3,-2.0 39,-0.3 1,-0.3 -3,-0.2 0.604 69.4 -63.1 56.2 10.4 -12.5 -28.6 47.4 26 26 A N T 3 - 0 0 2 -2,-1.7 4,-3.1 37,-0.2 5,-0.3 -0.640 51.7-115.2 -93.8 155.8 -17.8 -26.6 38.3 30 30 A K H > S+ 0 0 96 -2,-0.3 4,-3.4 1,-0.2 5,-0.2 0.900 117.1 54.0 -47.8 -48.4 -20.7 -25.4 36.3 31 31 A V H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.882 114.5 39.6 -54.3 -47.4 -23.0 -26.8 39.0 32 32 A F H >> S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 3,-0.9 0.990 115.6 50.1 -64.5 -64.6 -21.3 -24.8 41.6 33 33 A I H 3X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.3 -2,-0.2 0.833 109.6 55.1 -42.3 -42.2 -20.8 -21.7 39.5 34 34 A D H 3X S+ 0 0 58 -4,-3.4 4,-1.4 -5,-0.3 -1,-0.3 0.916 107.7 45.9 -62.3 -44.4 -24.5 -21.9 38.7 35 35 A D H < S+ 0 0 69 -4,-2.3 3,-1.0 1,-0.3 -2,-0.2 0.861 110.3 49.7 -42.2 -42.4 -29.1 -13.0 41.4 42 42 A D H 3< S+ 0 0 64 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.976 105.0 56.7 -64.0 -50.5 -31.4 -13.7 44.2 43 43 A L T 3< S+ 0 0 5 -4,-1.8 2,-2.0 -3,-0.2 -1,-0.2 0.280 74.4 112.4 -65.9 10.6 -29.5 -11.2 46.6 44 44 A N < + 0 0 82 -3,-1.0 -1,-0.1 -4,-0.3 -3,-0.1 -0.527 50.6 123.1 -88.8 76.4 -30.0 -8.4 44.1 45 45 A R S > S- 0 0 93 -2,-2.0 3,-4.5 3,-0.1 -3,-0.0 -0.998 75.3-111.6-148.1 144.6 -32.3 -6.4 46.2 46 46 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.678 114.5 57.1 -31.1 -42.7 -32.7 -3.0 47.7 47 47 A E T 3 S+ 0 0 101 2,-0.0 2,-0.6 -3,-0.0 -3,-0.1 0.693 93.8 79.7 -69.8 -21.6 -32.3 -4.4 51.2 48 48 A I < + 0 0 2 -3,-4.5 -34,-0.2 1,-0.2 3,-0.1 -0.827 49.0 162.2 -94.7 125.4 -29.0 -5.9 50.3 49 49 A R + 0 0 65 -36,-3.7 2,-0.4 -2,-0.6 -35,-0.2 0.827 61.3 22.9-102.0 -62.3 -26.1 -3.5 50.3 50 50 A C E -b 14 0A 0 -37,-1.0 -35,-2.2 47,-0.2 -1,-0.3 -0.908 64.0-154.6-116.1 140.6 -22.9 -5.3 50.5 51 51 A I E -bc 15 99A 0 47,-3.0 49,-1.9 -2,-0.4 2,-0.3 -0.604 4.0-158.9-107.2 164.8 -22.0 -9.0 49.6 52 52 A I E -bc 16 100A 0 -37,-0.6 -35,-2.2 -2,-0.2 2,-0.4 -0.913 5.6-153.5-150.6 125.6 -19.3 -11.3 50.8 53 53 A L E +bc 17 101A 1 47,-2.7 49,-2.4 -2,-0.3 2,-0.3 -0.811 30.9 157.5 -98.8 135.0 -17.8 -14.4 49.3 54 54 A R E -b 18 0A 15 -37,-1.7 -35,-2.9 -2,-0.4 49,-0.1 -0.997 37.5-132.5-158.2 159.5 -16.3 -16.9 51.6 55 55 A A - 0 0 2 47,-0.5 3,-0.1 -2,-0.3 -35,-0.1 -0.864 53.9 -79.2-112.7 144.8 -15.3 -20.4 52.3 56 56 A P > - 0 0 40 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 -0.132 58.8 -90.9 -49.2 135.4 -16.2 -22.2 55.4 57 57 A S T 3 S+ 0 0 92 1,-0.3 3,-0.1 3,-0.0 -3,-0.0 -0.098 113.9 28.6 -47.7 138.7 -14.2 -21.4 58.4 58 58 A G T 3 S+ 0 0 56 1,-0.3 -1,-0.3 -3,-0.1 47,-0.0 0.117 84.8 161.4 94.4 -22.2 -11.3 -23.6 58.9 59 59 A S < - 0 0 32 -3,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.124 32.3-161.7 -35.9 132.6 -11.0 -24.2 55.2 60 60 A K S S+ 0 0 196 1,-0.3 46,-1.2 45,-0.1 2,-0.4 0.722 83.0 30.1 -89.6 -24.8 -7.6 -25.5 54.1 61 61 A V E -g 106 0C 27 44,-0.3 -1,-0.3 1,-0.2 44,-0.2 -0.968 59.9-162.3-140.1 122.0 -8.3 -24.5 50.6 62 62 A F E S- 0 0 0 44,-1.2 2,-0.3 -2,-0.4 45,-0.2 0.992 81.0 -22.9 -64.5 -59.1 -10.5 -21.6 49.4 63 63 A S E -g 107 0C 0 43,-1.9 45,-1.3 1,-0.1 -1,-0.3 -0.959 44.5-152.4-157.3 137.2 -10.8 -23.0 45.9 64 64 A A - 0 0 47 -39,-0.3 2,-0.2 -2,-0.3 -37,-0.2 0.459 51.4-127.4 -88.4 -2.5 -8.8 -25.4 43.8 65 65 A G + 0 0 2 -39,-0.5 -37,-3.6 -40,-0.1 -1,-0.3 -0.648 57.8 7.0 100.3-156.7 -9.9 -23.8 40.6 66 66 A H B S-f 28 0B 43 -2,-0.2 2,-0.9 -39,-0.2 -37,-0.2 -0.231 75.8-109.8 -64.9 150.8 -11.5 -25.1 37.5 67 67 A D >> - 0 0 22 -39,-0.7 3,-1.1 1,-0.2 4,-0.6 -0.780 25.4-153.3 -87.1 108.1 -12.5 -28.7 37.4 68 68 A I G >4 S+ 0 0 25 -2,-0.9 3,-2.9 1,-0.3 -1,-0.2 0.876 93.8 57.9 -44.8 -53.4 -10.1 -30.3 35.1 69 69 A H G 34 S+ 0 0 134 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.863 104.2 55.5 -47.8 -37.1 -12.4 -33.0 34.0 70 70 A E G <4 S+ 0 0 89 -3,-1.1 -1,-0.3 2,-0.0 -2,-0.2 0.643 88.0 106.3 -73.4 -12.0 -14.8 -30.2 33.0 71 71 A L S << S- 0 0 35 -3,-2.9 8,-0.0 -4,-0.6 -3,-0.0 -0.335 83.7 -88.9 -67.5 153.6 -12.0 -28.8 30.8 72 72 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.148 19.7-137.1 -63.6 155.7 -12.3 -29.3 27.1 73 73 A S - 0 0 100 -3,-0.1 -2,-0.1 5,-0.0 171,-0.1 0.704 63.9 -82.4 -85.1 -25.2 -11.1 -32.3 25.2 74 74 A G S S+ 0 0 29 2,-0.1 3,-0.1 170,-0.0 170,-0.0 0.684 104.2 104.4 117.3 47.7 -9.7 -30.3 22.4 75 75 A G S S- 0 0 80 1,-0.1 2,-0.2 163,-0.0 164,-0.0 0.523 88.4 -2.6-119.0 -36.3 -12.8 -29.6 20.1 76 76 A R S S- 0 0 170 162,-0.0 -1,-0.1 159,-0.0 3,-0.1 -0.598 97.2 -55.7-138.1-161.7 -13.5 -26.0 21.0 77 77 A D > - 0 0 26 -2,-0.2 3,-0.9 1,-0.1 4,-0.1 -0.846 35.6-160.8 -94.0 117.0 -12.3 -23.2 23.1 78 78 A P T 3 S+ 0 0 19 0, 0.0 -1,-0.1 0, 0.0 62,-0.1 0.873 94.8 51.5 -60.0 -47.6 -12.3 -24.1 26.9 79 79 A L T 3 S+ 0 0 14 60,-0.2 65,-0.1 -3,-0.1 4,-0.1 -0.230 88.0 155.1 -87.2 34.0 -12.3 -20.4 27.9 80 80 A S < - 0 0 24 -3,-0.9 3,-0.5 2,-0.1 6,-0.2 0.312 58.7 -99.1 -51.6-174.0 -15.3 -19.8 25.7 81 81 A Y S S+ 0 0 155 1,-0.2 -1,-0.1 -4,-0.1 6,-0.1 0.910 123.2 44.2 -78.6 -45.5 -17.7 -16.9 26.2 82 82 A D S S+ 0 0 111 4,-0.1 -1,-0.2 5,-0.1 -2,-0.1 0.015 85.0 128.8 -89.6 26.1 -20.4 -19.0 28.0 83 83 A D S >> S- 0 0 13 -3,-0.5 4,-1.5 1,-0.1 3,-1.2 -0.732 72.9-112.0 -85.2 132.4 -17.8 -20.8 30.1 84 84 A P H 3> S+ 0 0 15 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.745 114.2 50.5 -29.0 -56.3 -18.6 -20.8 33.8 85 85 A L H 3> S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.3 0.909 107.1 53.8 -58.1 -45.9 -15.6 -18.5 34.8 86 86 A R H <> S+ 0 0 12 -3,-1.2 4,-2.6 1,-0.2 5,-0.3 0.950 110.4 48.0 -54.8 -47.9 -16.4 -15.9 32.2 87 87 A Q H X S+ 0 0 40 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.929 110.8 46.2 -59.3 -52.9 -20.0 -15.6 33.5 88 88 A I H X S+ 0 0 1 -4,-2.2 4,-3.3 1,-0.2 -1,-0.2 0.892 114.8 48.5 -62.8 -34.5 -19.5 -15.3 37.1 89 89 A T H X S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.948 112.5 46.0 -69.1 -48.8 -16.7 -12.8 36.6 90 90 A R H X S+ 0 0 59 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.937 116.9 50.0 -55.9 -44.2 -18.7 -10.6 34.2 91 91 A M H X S+ 0 0 38 -4,-3.0 4,-0.6 -5,-0.3 -2,-0.2 0.948 107.9 48.5 -58.4 -55.8 -21.5 -11.0 36.7 92 92 A I H >< S+ 0 0 1 -4,-3.3 3,-0.7 1,-0.2 -1,-0.2 0.910 113.8 50.1 -51.9 -42.6 -19.5 -10.1 39.7 93 93 A Q H 3< S+ 0 0 23 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.930 112.2 42.9 -62.2 -53.4 -18.2 -7.0 37.9 94 94 A K H 3< S+ 0 0 110 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.339 87.1 122.4 -75.9 0.7 -21.6 -5.7 36.6 95 95 A F << - 0 0 11 -3,-0.7 4,-0.1 -4,-0.6 -3,-0.0 -0.610 64.1-139.2 -73.9 120.0 -23.1 -6.4 40.0 96 96 A P S S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 114,-0.1 0.265 78.9 63.2 -61.5 8.2 -24.5 -3.2 41.4 97 97 A K S S- 0 0 23 -5,-0.2 2,-0.3 110,-0.1 -47,-0.2 -0.857 94.1 -90.4-130.5 166.1 -23.3 -3.9 45.0 98 98 A P - 0 0 17 0, 0.0 -47,-3.0 0, 0.0 2,-0.5 -0.577 34.3-156.8 -81.3 141.7 -19.9 -4.3 46.5 99 99 A I E -c 51 0A 0 -2,-0.3 21,-1.6 -49,-0.2 20,-1.2 -0.912 8.4-168.5-123.4 105.3 -18.5 -7.7 46.6 100 100 A I E -cd 52 120A 0 -49,-1.9 -47,-2.7 -2,-0.5 2,-0.6 -0.674 11.7-145.3 -91.6 147.4 -15.8 -8.5 49.2 101 101 A S E -cd 53 121A 0 19,-1.2 21,-2.4 -2,-0.3 2,-0.8 -0.936 7.6-166.7-116.1 114.2 -13.7 -11.5 49.3 102 102 A M E - d 0 122A 5 -49,-2.4 2,-0.5 -2,-0.6 -47,-0.5 -0.849 21.2-153.7 -96.4 110.6 -12.8 -12.9 52.6 103 103 A V E + d 0 123A 0 19,-3.1 21,-2.2 -2,-0.8 2,-0.4 -0.801 23.5 168.0-102.3 131.9 -10.1 -15.4 51.9 104 104 A E - 0 0 22 -2,-0.5 -44,-0.1 19,-0.2 2,-0.1 -0.995 58.0 -4.9-133.8 133.7 -9.2 -18.4 54.0 105 105 A G S S- 0 0 10 -2,-0.4 23,-0.6 -44,-0.2 -44,-0.3 -0.273 104.6 -23.7 79.2-164.3 -6.9 -21.1 52.8 106 106 A S E -gh 61 128C 15 -46,-1.2 -43,-1.9 21,-0.2 -44,-1.2 -0.538 48.1-153.1 -89.7 146.5 -5.4 -21.4 49.3 107 107 A V E -gh 63 129C 0 21,-1.8 23,-1.5 -45,-0.2 2,-0.5 -0.943 13.1-164.1-117.3 134.8 -6.6 -19.9 46.0 108 108 A W E > - h 0 130C 80 -45,-1.3 3,-2.0 -2,-0.4 23,-0.2 -0.953 40.8 -61.3-133.2 128.2 -5.8 -21.5 42.6 109 109 A G T >> S+ 0 0 8 21,-2.6 4,-1.6 -2,-0.5 3,-1.1 -0.244 126.5 26.7 52.1-122.4 -6.0 -20.3 39.1 110 110 A G H 3> S+ 0 0 5 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.695 120.5 60.0 -41.6 -31.1 -9.5 -19.4 38.1 111 111 A A H <> S+ 0 0 0 -3,-2.0 4,-3.5 2,-0.2 5,-0.4 0.944 103.6 50.4 -64.4 -50.0 -10.2 -18.7 41.8 112 112 A F H <> S+ 0 0 2 -3,-1.1 4,-2.1 18,-0.3 -2,-0.2 0.953 111.2 46.3 -53.9 -53.7 -7.6 -16.0 41.9 113 113 A E H X S+ 0 0 0 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.852 113.7 52.9 -59.0 -32.0 -8.9 -14.4 38.8 114 114 A M H < S+ 0 0 2 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.938 114.4 37.7 -71.9 -45.5 -12.4 -14.6 40.3 115 115 A I H >< S+ 0 0 1 -4,-3.5 3,-0.8 1,-0.2 -1,-0.2 0.739 111.1 61.4 -76.9 -18.6 -11.6 -13.0 43.5 116 116 A M H 3< S+ 0 0 14 -4,-2.1 -1,-0.2 -5,-0.4 -2,-0.2 0.864 99.5 58.7 -67.9 -35.3 -9.4 -10.7 41.6 117 117 A S T 3< S+ 0 0 7 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.420 92.4 87.6 -73.6 -2.6 -12.6 -9.6 39.8 118 118 A S S < S- 0 0 14 -3,-0.8 -18,-0.1 -4,-0.2 -25,-0.1 -0.416 85.0-113.4 -94.0 174.5 -14.2 -8.6 43.0 119 119 A D S S+ 0 0 62 -20,-1.2 2,-0.3 -2,-0.1 -19,-0.2 0.832 88.8 15.8 -80.5 -35.9 -14.1 -5.2 44.7 120 120 A L E -d 100 0A 37 -21,-1.6 -19,-1.2 2,-0.0 2,-0.3 -0.931 57.4-159.7-138.9 165.1 -12.3 -5.9 47.8 121 121 A I E +d 101 0A 6 -2,-0.3 58,-2.3 -21,-0.2 59,-1.4 -0.847 9.0 177.7-152.0 107.8 -10.2 -8.7 49.2 122 122 A I E -de 102 180A 0 -21,-2.4 -19,-3.1 -2,-0.3 2,-0.3 -0.886 19.2-173.1-106.7 141.5 -9.5 -9.3 52.9 123 123 A A E -de 103 181A 0 57,-1.5 59,-2.7 -2,-0.4 2,-0.2 -0.973 27.9-107.2-146.9 156.8 -7.4 -12.2 53.8 124 124 A A E > - 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0 0 9 -6,-1.3 -56,-0.2 -9,-0.2 -2,-0.1 -0.687 64.8-143.4-100.3 157.7 -5.4 -7.4 48.6 179 179 A N S S+ 0 0 75 -58,-2.3 2,-0.3 -2,-0.3 -57,-0.2 0.941 80.5 1.7 -79.9 -50.1 -6.9 -4.7 50.7 180 180 A H E -e 122 0A 79 -59,-1.4 -57,-1.5 2,-0.0 2,-0.4 -0.912 52.7-153.3-138.6 166.0 -6.2 -6.2 54.1 181 181 A V E +e 123 0A 43 -2,-0.3 2,-0.2 -59,-0.2 -57,-0.2 -0.946 25.6 171.8-144.1 113.9 -4.6 -9.1 55.8 182 182 A V E -e 124 0A 21 -59,-2.7 -57,-2.9 -2,-0.4 -56,-0.3 -0.698 38.2 -91.1-122.4 169.4 -5.7 -10.3 59.2 183 183 A E >> - 0 0 88 -59,-0.2 3,-1.3 -2,-0.2 4,-1.2 -0.557 43.3-115.2 -75.7 140.2 -5.3 -13.0 61.7 184 184 A V H >> S+ 0 0 47 1,-0.3 3,-1.0 -2,-0.2 4,-0.5 0.870 114.5 56.5 -44.7 -51.7 -7.7 -15.8 61.2 185 185 A E H 34 S+ 0 0 139 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.823 115.5 39.3 -52.7 -34.7 -9.4 -15.3 64.5 186 186 A E H <> S+ 0 0 103 -3,-1.3 4,-1.9 1,-0.2 5,-0.3 0.518 88.4 96.3 -94.4 -8.3 -10.1 -11.7 63.4 187 187 A L H > S+ 0 0 107 -4,-0.3 4,-2.7 2,-0.2 3,-0.6 0.988 112.7 49.2 -55.4 -65.1 -15.4 -9.7 62.3 190 190 A F H 3X S+ 0 0 55 -4,-1.9 4,-2.2 1,-0.3 5,-0.2 0.876 113.4 47.0 -40.6 -55.0 -13.1 -7.3 60.5 191 191 A T H 3X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.3 0.862 113.4 49.9 -60.6 -36.9 -14.7 -8.2 57.2 192 192 A L H < S+ 0 0 56 -4,-3.2 3,-1.2 2,-0.2 -2,-0.2 0.985 111.6 47.8 -62.2 -52.8 -21.6 -2.9 57.6 197 197 A H H >X S+ 0 0 105 -4,-3.0 3,-2.5 1,-0.3 4,-0.6 0.944 109.4 51.7 -52.7 -50.5 -19.8 0.5 57.3 198 198 A I H >< S+ 0 0 37 -4,-2.8 3,-0.5 1,-0.3 -1,-0.3 0.786 105.4 59.1 -60.9 -19.2 -19.9 0.4 53.6 199 199 A S T << S+ 0 0 7 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.349 88.1 70.6 -92.3 9.3 -23.5 -0.3 53.9 200 200 A E T <4 S+ 0 0 145 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.721 90.8 89.1 -89.1 -23.8 -24.2 2.8 55.7 201 201 A K S << S- 0 0 99 -4,-0.6 3,-0.0 -3,-0.5 -3,-0.0 -0.184 96.4 -73.7 -77.5 160.8 -23.4 4.7 52.5 202 202 A A >> - 0 0 60 1,-0.2 3,-2.5 2,-0.1 4,-1.7 -0.377 38.8-163.2 -60.0 84.5 -25.4 5.8 49.5 203 203 A P H 3> S+ 0 0 56 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.763 88.0 55.9 -38.1 -39.9 -26.1 2.7 47.6 204 204 A L H 3> S+ 0 0 150 2,-0.2 4,-1.1 1,-0.2 5,-0.1 0.826 106.1 49.8 -70.3 -29.8 -26.9 4.6 44.5 205 205 A A H X> S+ 0 0 46 -3,-2.5 4,-2.2 2,-0.2 3,-0.8 0.983 111.1 49.7 -68.1 -57.7 -23.6 6.4 44.5 206 206 A I H 3X S+ 0 0 44 -4,-1.7 4,-2.2 1,-0.3 5,-0.2 0.840 105.0 56.9 -48.1 -41.5 -21.7 3.2 44.9 207 207 A A H 3X S+ 0 0 31 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.3 0.939 109.7 45.4 -62.5 -35.6 -23.4 1.5 42.1 208 208 A V H X S+ 0 0 84 -4,-2.2 4,-3.9 2,-0.2 3,-0.9 0.975 108.9 53.9 -64.3 -51.4 -19.0 4.6 40.5 210 210 A K H 3X S+ 0 0 17 -4,-2.2 4,-1.0 1,-0.3 -1,-0.2 0.744 112.0 49.1 -53.0 -23.1 -18.4 0.8 40.5 211 211 A E H 3X S+ 0 0 66 -4,-0.6 4,-1.8 -5,-0.2 -1,-0.3 0.772 110.3 47.4 -88.5 -28.6 -19.8 1.0 37.0 212 212 A E H < S+ 0 0 113 -4,-1.6 3,-2.3 -3,-0.2 -2,-0.2 0.893 103.4 56.5 -84.0 -50.4 -12.7 2.3 32.6 217 217 A G T 3< S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.503 109.1 51.1 -64.9 -2.8 -10.7 -0.9 33.4 218 218 A E T 3 S+ 0 0 82 -4,-0.5 -1,-0.3 -5,-0.1 -2,-0.2 0.326 75.2 106.5-111.6 -2.8 -12.1 -2.2 30.1 219 219 A A < + 0 0 64 -3,-2.3 2,-0.7 -5,-0.1 -2,-0.1 0.196 49.6 110.3 -67.3 17.8 -11.1 0.8 28.1 220 220 A H + 0 0 146 -3,-0.1 2,-0.2 2,-0.0 -74,-0.0 -0.877 49.3 172.8 -99.2 106.3 -8.3 -1.3 26.6 221 221 A T + 0 0 129 -2,-0.7 2,-0.3 0, 0.0 -2,-0.0 -0.779 16.5 176.8-120.5 164.4 -9.1 -2.0 22.8 222 222 A M - 0 0 76 -2,-0.2 5,-0.1 2,-0.0 -2,-0.0 -0.973 32.1 -84.9-163.6 148.2 -7.7 -3.5 19.6 223 223 A N > - 0 0 89 -2,-0.3 4,-1.7 3,-0.1 0, 0.0 0.111 38.2-104.6 -54.1 159.0 -8.5 -4.3 15.9 224 224 A S H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.860 119.0 50.8 -46.6 -52.7 -10.3 -7.2 14.3 225 225 A D H > S+ 0 0 112 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.937 105.5 54.0 -53.5 -61.3 -7.1 -8.6 12.9 226 226 A E H > S+ 0 0 67 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.796 108.0 51.6 -49.8 -36.3 -5.2 -8.5 16.2 227 227 A F H X S+ 0 0 107 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.967 110.5 45.4 -69.7 -51.5 -8.0 -10.5 17.9 228 228 A E H X S+ 0 0 126 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.866 108.3 59.8 -58.6 -33.8 -8.1 -13.3 15.4 229 229 A R H X S+ 0 0 126 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.958 110.9 38.4 -56.8 -54.3 -4.4 -13.4 15.5 230 230 A I H X S+ 0 0 46 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.754 114.1 56.4 -67.4 -26.5 -4.3 -14.2 19.3 231 231 A Q H X S+ 0 0 102 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.927 103.7 53.3 -72.3 -39.3 -7.2 -16.4 18.9 232 232 A G H X S+ 0 0 29 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.980 109.8 46.7 -55.9 -59.0 -5.3 -18.4 16.4 233 233 A M H X S+ 0 0 108 -4,-2.0 4,-1.2 1,-0.3 -1,-0.2 0.854 110.8 55.6 -52.7 -35.0 -2.4 -18.8 18.7 234 234 A R H >X S+ 0 0 27 -4,-1.8 4,-1.0 2,-0.2 3,-0.8 0.964 108.4 45.7 -62.5 -48.9 -4.9 -19.7 21.3 235 235 A R H >X S+ 0 0 168 -4,-2.8 4,-2.0 1,-0.3 3,-1.3 0.937 109.5 56.5 -56.2 -51.9 -6.4 -22.5 19.1 236 236 A A H 3< S+ 0 0 64 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.750 103.2 53.2 -55.2 -25.9 -3.0 -23.7 18.3 237 237 A V H << S+ 0 0 56 -4,-1.2 -1,-0.3 -3,-0.8 6,-0.2 0.786 108.4 52.4 -81.5 -23.0 -2.1 -24.2 22.0 238 238 A Y H << S+ 0 0 5 -3,-1.3 6,-0.3 -4,-1.0 -2,-0.2 0.990 107.2 47.9 -70.6 -61.1 -5.2 -26.3 22.4 239 239 A D S < S+ 0 0 99 -4,-2.0 -1,-0.2 4,-0.1 -2,-0.2 0.482 95.9 120.8 -58.6 -0.9 -4.5 -28.6 19.5 240 240 A S > - 0 0 18 -5,-0.3 4,-1.0 -3,-0.2 -3,-0.1 -0.147 66.3-140.1 -64.9 161.6 -1.0 -28.9 21.1 241 241 A E H > S+ 0 0 132 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.807 105.1 58.6 -88.4 -39.2 0.7 -32.0 22.3 242 242 A D H > S+ 0 0 30 19,-0.5 4,-0.8 2,-0.2 -1,-0.1 0.860 102.7 60.5 -57.7 -33.1 2.2 -30.3 25.3 243 243 A Y H >> S+ 0 0 3 -6,-0.2 3,-2.7 2,-0.2 4,-1.0 0.979 105.1 41.6 -52.7 -74.5 -1.5 -29.5 26.1 244 244 A Q H 3X S+ 0 0 74 -4,-1.0 4,-1.8 1,-0.3 3,-0.5 0.882 111.7 56.3 -41.9 -53.0 -2.7 -33.0 26.4 245 245 A E H 3X S+ 0 0 38 -4,-2.4 4,-1.8 1,-0.2 -1,-0.3 0.785 103.0 60.5 -54.2 -22.8 0.4 -34.0 28.2 246 246 A G H X S+ 0 0 22 -4,-1.0 4,-2.1 -3,-0.5 3,-1.0 0.992 115.8 54.2 -60.0 -63.8 -3.9 -32.6 31.7 248 248 A N H 3X S+ 0 0 67 -4,-1.8 4,-4.6 1,-0.3 5,-0.3 0.803 101.4 55.9 -32.4 -64.5 -2.6 -36.2 31.8 249 249 A A H 3<>S+ 0 0 2 -4,-1.8 5,-3.2 1,-0.2 -1,-0.3 0.877 114.8 41.7 -39.6 -52.2 0.3 -35.6 34.1 250 250 A F H X<5S+ 0 0 84 -4,-1.1 3,-2.8 -3,-1.0 -2,-0.2 0.963 114.9 47.2 -61.7 -60.4 -2.2 -34.2 36.6 251 251 A L H 3<5S+ 0 0 76 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.884 121.1 40.8 -49.5 -41.3 -4.9 -36.8 36.1 252 252 A E T 3<5S- 0 0 121 -4,-4.6 -1,-0.3 -5,-0.3 -2,-0.2 0.385 112.0-133.6 -87.5 2.6 -2.1 -39.3 36.4 253 253 A K T < 5 + 0 0 144 -3,-2.8 2,-0.3 -5,-0.3 -3,-0.3 0.900 60.8 130.2 37.6 65.1 -0.8 -37.0 39.1 254 254 A R < - 0 0 95 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.946 69.2 -91.9-140.0 151.4 2.7 -37.2 37.7 255 255 A K - 0 0 190 -2,-0.3 -5,-0.0 -3,-0.1 -6,-0.0 -0.576 51.6-126.3 -72.3 122.7 5.2 -34.4 36.9 256 256 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -10,-0.1 -0.099 9.1-142.3 -69.2 164.6 4.8 -33.4 33.2 257 257 A N - 0 0 121 -12,-0.1 2,-0.3 -15,-0.1 -12,-0.1 -0.912 14.4-159.5-134.7 102.6 7.2 -33.1 30.3 258 258 A F - 0 0 82 -2,-0.4 -121,-0.0 1,-0.1 -16,-0.0 -0.693 10.0-177.3 -87.2 136.1 6.7 -30.2 28.0 259 259 A V - 0 0 91 2,-0.6 -1,-0.1 -2,-0.3 0, 0.0 0.768 48.2-102.2-100.4 -41.3 8.3 -30.5 24.6 260 260 A G 0 0 69 1,-0.8 -2,-0.1 0, 0.0 -20,-0.0 0.399 360.0 360.0 122.4 10.8 7.6 -27.2 22.8 261 261 A H 0 0 112 -24,-0.0 -1,-0.8 -21,-0.0 -2,-0.6 -0.932 360.0 360.0-165.6 360.0 4.8 -28.6 20.7