==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 30-SEP-02 1MWM . COMPND 2 MOLECULE: PARM; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR F.VAN DEN ENT,J.MOLLER-JENSEN,L.A.AMOS,K.GERDES,J.LOWE . 632 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31441.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 463 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 87 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 . 56 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.8 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 3 6 1 4 0 0 0 0 0 0 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 0 2 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 PARALLEL BRIDGES PER LADDER . 4 4 2 2 0 1 5 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 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 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 89 0, 0.0 93,-2.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 133.6 34.7 -1.5 93.6 2 2 A L E -a 94 0A 47 15,-0.2 2,-0.5 91,-0.2 15,-0.5 -0.964 360.0-172.2-119.7 124.2 33.2 -1.6 97.1 3 3 A V E -a 95 0A 0 91,-2.6 93,-1.8 -2,-0.5 2,-0.6 -0.961 15.3-147.4-120.7 129.3 33.8 -4.6 99.3 4 4 A F E -aB 96 15A 0 11,-3.5 11,-2.1 -2,-0.5 2,-0.5 -0.831 22.3-169.2 -92.7 123.4 32.1 -5.2 102.7 5 5 A I E - B 0 14A 0 91,-3.3 2,-1.3 -2,-0.6 93,-0.4 -0.935 21.2-170.2-123.5 110.6 34.5 -7.0 105.0 6 6 A D E - B 0 13A 13 7,-2.9 7,-2.3 -2,-0.5 2,-1.5 -0.766 18.2-169.2 -96.1 90.1 33.5 -8.5 108.3 7 7 A D E + B 0 12A 0 -2,-1.3 5,-0.2 5,-0.2 2,-0.1 -0.616 11.8 173.1 -85.3 84.7 37.1 -9.2 109.5 8 8 A G - 0 0 13 -2,-1.5 -2,-0.0 3,-1.4 91,-0.0 -0.458 44.0-113.0 -84.0 164.9 36.6 -11.4 112.5 9 9 A S S S+ 0 0 23 1,-0.1 3,-0.1 -2,-0.1 -1,-0.1 0.516 115.2 39.1 -79.5 -4.3 39.6 -13.0 114.2 10 10 A T S S+ 0 0 48 1,-0.4 20,-1.7 19,-0.1 2,-0.4 0.778 130.1 6.6-106.0 -51.5 38.5 -16.5 113.2 11 11 A N E - C 0 29A 30 18,-0.2 -3,-1.4 -5,-0.1 2,-0.6 -0.998 61.4-140.2-138.2 139.2 37.1 -15.9 109.7 12 12 A I E -BC 7 28A 0 16,-3.6 16,-2.6 -2,-0.4 2,-0.5 -0.856 21.8-159.1 -96.3 122.5 37.1 -12.9 107.3 13 13 A K E -BC 6 27A 23 -7,-2.3 -7,-2.9 -2,-0.6 2,-0.3 -0.908 6.2-163.1-107.4 130.8 33.8 -12.7 105.5 14 14 A L E +BC 5 26A 0 12,-3.7 12,-2.1 -2,-0.5 2,-0.3 -0.858 10.6 177.3-113.8 146.2 33.5 -10.7 102.2 15 15 A Q E +BC 4 25A 0 -11,-2.1 -11,-3.5 -2,-0.3 2,-0.3 -0.987 15.3 138.0-147.5 137.5 30.6 -9.4 100.4 16 16 A W E - C 0 24A 5 8,-1.7 8,-2.8 -2,-0.3 2,-0.4 -0.957 41.9-112.1-165.6 168.3 30.4 -7.3 97.2 17 17 A Q E - C 0 23A 73 -15,-0.5 6,-0.2 -2,-0.3 -15,-0.2 -0.950 24.0-135.6-120.6 138.0 28.3 -7.1 94.0 18 18 A E > - 0 0 55 4,-3.1 3,-1.9 -2,-0.4 0, 0.0 -0.285 31.4-101.3 -82.2 169.4 29.5 -7.8 90.4 19 19 A S T 3 S+ 0 0 134 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.890 123.4 56.5 -56.7 -42.4 28.8 -5.8 87.3 20 20 A D T 3 S- 0 0 117 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.316 122.8-108.8 -74.0 9.0 26.0 -8.3 86.2 21 21 A G S < S+ 0 0 34 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.352 70.9 142.9 82.1 -6.3 24.4 -7.5 89.6 22 22 A T - 0 0 60 -5,-0.1 -4,-3.1 1,-0.1 2,-0.6 -0.472 48.5-131.5 -70.9 137.8 25.1 -10.9 91.3 23 23 A I E -C 17 0A 87 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.821 24.5-156.4 -93.8 121.4 26.0 -10.5 95.0 24 24 A K E -C 16 0A 82 -8,-2.8 -8,-1.7 -2,-0.6 2,-0.4 -0.753 9.9-167.0-102.3 144.9 29.1 -12.4 95.9 25 25 A Q E +C 15 0A 74 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.984 8.8 177.8-129.2 139.1 30.2 -13.8 99.3 26 26 A H E -C 14 0A 40 -12,-2.1 -12,-3.7 -2,-0.4 2,-0.4 -0.977 13.3-158.1-140.3 151.6 33.6 -15.1 100.3 27 27 A I E +C 13 0A 56 -2,-0.3 -14,-0.2 -14,-0.2 -2,-0.0 -0.996 10.8 178.4-134.2 128.4 35.2 -16.4 103.5 28 28 A S E -C 12 0A 2 -16,-2.6 -16,-3.6 -2,-0.4 54,-0.1 -0.995 25.9-122.9-129.8 135.0 38.9 -16.5 104.2 29 29 A P E -C 11 0A 13 0, 0.0 2,-1.1 0, 0.0 -18,-0.2 -0.304 16.7-120.1 -76.5 160.6 40.5 -17.8 107.4 30 30 A N + 0 0 37 -20,-1.7 2,-0.5 -21,-0.1 -19,-0.1 -0.643 63.6 137.1 -96.4 72.6 42.8 -15.9 109.8 31 31 A S + 0 0 3 -2,-1.1 27,-1.9 47,-0.1 2,-0.3 -0.891 19.9 133.3-125.1 99.6 45.7 -18.4 109.4 32 32 A F E -E 57 0B 14 -2,-0.5 2,-0.3 25,-0.2 25,-0.2 -0.950 34.3-152.1-143.7 162.5 49.2 -16.9 109.0 33 33 A K E -E 56 0B 80 23,-2.1 2,-1.9 -2,-0.3 23,-1.7 -0.966 32.7-109.1-135.2 152.7 52.7 -17.3 110.3 34 34 A R S S+ 0 0 203 -2,-0.3 2,-0.3 21,-0.2 20,-0.2 -0.272 92.2 59.3 -77.1 52.7 55.5 -14.8 110.7 35 35 A E S S- 0 0 118 -2,-1.9 -2,-0.2 21,-0.1 13,-0.1 -0.909 86.9 -96.9-174.2 145.0 57.7 -16.2 107.9 36 36 A W - 0 0 76 -2,-0.3 2,-0.5 11,-0.1 20,-0.1 -0.354 35.9-129.0 -67.2 148.8 57.6 -17.0 104.2 37 37 A A - 0 0 20 18,-0.2 2,-0.4 20,-0.1 8,-0.1 -0.855 21.9-133.0 -98.3 133.2 56.7 -20.5 103.2 38 38 A V - 0 0 102 -2,-0.5 2,-0.4 2,-0.0 5,-0.0 -0.728 21.4-172.2 -92.5 133.7 59.2 -22.0 100.8 39 39 A S - 0 0 47 -2,-0.4 6,-0.1 1,-0.1 -2,-0.0 -0.988 15.9-168.5-125.5 127.8 57.9 -23.8 97.7 40 40 A F S S- 0 0 206 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.185 74.4 -59.1 -96.2 14.8 60.1 -25.8 95.3 41 41 A G S S+ 0 0 70 2,-0.3 -2,-0.1 0, 0.0 3,-0.0 0.193 121.7 61.2 137.8 -27.0 57.5 -26.2 92.6 42 42 A D S S+ 0 0 154 1,-0.1 2,-0.5 2,-0.0 -3,-0.1 0.714 86.6 70.2-107.6 -20.2 54.3 -27.9 93.6 43 43 A K S S- 0 0 120 -5,-0.0 2,-0.5 2,-0.0 -2,-0.3 -0.839 70.9-138.9-103.2 130.4 52.7 -25.8 96.4 44 44 A K - 0 0 181 -2,-0.5 2,-0.3 -3,-0.0 -2,-0.0 -0.743 29.7-167.1 -83.1 126.2 51.3 -22.4 95.7 45 45 A V - 0 0 44 -2,-0.5 2,-0.6 85,-0.1 13,-0.1 -0.862 22.0-144.1-119.3 153.2 52.3 -20.1 98.5 46 46 A F + 0 0 40 11,-0.3 11,-1.5 -2,-0.3 2,-0.6 -0.912 24.0 180.0-116.8 100.4 51.2 -16.6 99.6 47 47 A N E -F 56 0B 11 -2,-0.6 83,-2.7 83,-0.3 9,-0.2 -0.910 6.0-178.0-110.2 115.3 54.2 -14.7 101.0 48 48 A Y E -FG 55 129B 0 7,-3.5 7,-2.9 -2,-0.6 2,-0.4 -0.652 23.6-156.1-109.8 162.5 53.6 -11.2 102.2 49 49 A T E +FG 54 128B 36 79,-1.3 79,-1.6 5,-0.3 5,-0.3 -0.986 19.2 173.9-135.2 121.6 55.6 -8.4 103.6 50 50 A L S S- 0 0 3 3,-2.3 -1,-0.1 -2,-0.4 4,-0.1 0.890 71.3 -20.8-100.9 -60.0 53.5 -6.1 105.7 51 51 A N S S- 0 0 111 2,-0.3 75,-0.1 74,-0.1 3,-0.1 0.694 126.8 -43.0-115.5 -48.8 55.6 -3.4 107.4 52 52 A G S S+ 0 0 56 1,-0.0 2,-0.1 2,-0.0 0, 0.0 0.237 119.9 91.7-152.7 -26.3 59.0 -4.9 107.4 53 53 A E - 0 0 108 1,-0.0 -3,-2.3 -4,-0.0 2,-0.3 -0.394 69.8-131.2 -80.0 152.9 58.0 -8.4 108.4 54 54 A Q E - F 0 49B 69 -5,-0.3 2,-0.3 -20,-0.2 -5,-0.3 -0.802 26.5-178.5-104.0 143.8 57.2 -11.2 106.0 55 55 A Y E - F 0 48B 13 -7,-2.9 -7,-3.5 -2,-0.3 2,-0.3 -0.931 6.7-166.7-135.7 161.4 54.1 -13.3 106.6 56 56 A S E -EF 33 47B 0 -23,-1.7 -23,-2.1 -2,-0.3 -9,-0.2 -0.993 24.2-113.3-151.1 148.6 52.6 -16.2 104.8 57 57 A F E +E 32 0B 55 -11,-1.5 -11,-0.3 -2,-0.3 -25,-0.2 -0.515 50.5 136.2 -78.7 150.9 49.2 -18.0 104.8 58 58 A D - 0 0 30 -27,-1.9 2,-2.1 -2,-0.2 155,-0.1 -0.858 64.1 -89.9 174.5 153.7 49.0 -21.5 106.2 59 59 A P + 0 0 75 0, 0.0 155,-0.4 0, 0.0 156,-0.1 -0.526 66.0 167.7 -77.3 81.4 47.0 -23.9 108.3 60 60 A I - 0 0 43 -2,-2.1 153,-3.8 1,-0.2 154,-0.4 -0.010 39.7 -65.1 -82.7-169.6 48.9 -23.1 111.6 61 61 A S - 0 0 61 151,-0.3 2,-0.6 152,-0.1 151,-0.3 -0.596 47.1-119.5 -83.5 134.1 48.4 -23.8 115.2 62 62 A P 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -31,-0.0 -0.663 360.0 360.0 -78.7 117.2 45.3 -22.3 117.0 63 63 A D 0 0 195 -2,-0.6 -2,-0.0 0, 0.0 149,-0.0 0.147 360.0 360.0-122.8 360.0 46.5 -20.1 119.8 64 ! 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 65 68 A T 0 0 146 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.7 44.5 -11.2 121.9 66 69 A N > + 0 0 32 2,-0.1 4,-0.7 3,-0.1 3,-0.3 0.912 360.0 42.5 -86.4 -52.3 41.2 -10.9 120.1 67 70 A I T >4 S+ 0 0 52 1,-0.2 3,-1.2 2,-0.2 4,-0.3 0.897 111.0 54.6 -58.7 -48.2 40.9 -7.2 120.5 68 71 A A G >4 S+ 0 0 51 1,-0.2 3,-1.6 2,-0.2 -1,-0.2 0.832 97.5 68.7 -57.3 -32.8 44.5 -6.4 119.7 69 72 A W G >4 S+ 0 0 22 -4,-0.4 3,-1.8 -3,-0.3 6,-0.4 0.807 84.0 68.6 -57.7 -35.0 44.1 -8.3 116.4 70 73 A Q G << S+ 0 0 2 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.706 110.3 34.6 -60.7 -20.1 41.8 -5.7 115.0 71 74 A Y G < S+ 0 0 12 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.126 99.2 115.5-119.2 18.3 44.7 -3.2 114.8 72 75 A S S <> S- 0 0 27 -3,-1.8 4,-1.3 1,-0.1 -3,-0.1 -0.450 74.6-120.4 -90.7 162.3 47.4 -5.7 114.0 73 76 A D H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.812 114.5 57.9 -67.0 -31.4 49.7 -6.2 111.0 74 77 A V H > S+ 0 0 35 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.904 98.1 59.4 -66.4 -40.7 48.2 -9.7 110.5 75 78 A N H > S+ 0 0 0 -6,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.939 106.5 48.0 -51.2 -50.2 44.7 -8.3 110.3 76 79 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.924 113.8 47.2 -57.0 -46.5 45.8 -6.3 107.3 77 80 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.901 110.6 51.3 -62.2 -44.6 47.5 -9.4 105.8 78 81 A A H X S+ 0 0 0 -4,-3.6 4,-1.6 2,-0.2 -1,-0.2 0.843 111.9 47.8 -63.1 -34.7 44.4 -11.6 106.4 79 82 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.957 112.7 46.2 -72.2 -51.7 42.2 -9.0 104.7 80 83 A H H X S+ 0 0 5 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.937 112.6 52.1 -54.3 -47.1 44.4 -8.6 101.6 81 84 A H H X S+ 0 0 6 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.899 107.3 52.3 -56.9 -41.5 44.7 -12.3 101.4 82 85 A A H < S+ 0 0 0 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.878 111.9 46.8 -61.6 -38.5 40.9 -12.6 101.5 83 86 A L H >< S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 5,-0.5 0.953 110.6 51.6 -67.0 -50.5 40.7 -10.1 98.7 84 87 A L H 3< S+ 0 0 33 -4,-3.3 3,-0.4 1,-0.3 -2,-0.2 0.821 116.7 40.1 -57.0 -33.5 43.4 -11.9 96.7 85 88 A T T 3< S+ 0 0 48 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.321 92.8 88.6-100.4 10.1 41.6 -15.2 97.1 86 89 A S S < S- 0 0 16 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.712 99.7-115.8 -79.0 -21.1 38.1 -13.8 96.6 87 90 A G S S+ 0 0 71 -4,-0.5 -3,-0.1 1,-0.4 -4,-0.1 0.176 74.3 133.1 102.6 -15.0 38.1 -14.2 92.8 88 91 A L - 0 0 13 -5,-0.5 -1,-0.4 1,-0.1 2,-0.2 -0.339 66.8-104.9 -66.2 149.2 37.9 -10.4 92.5 89 92 A P - 0 0 92 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.583 44.0 -97.7 -76.1 140.3 40.4 -8.9 90.0 90 93 A V S S+ 0 0 70 -2,-0.2 2,-0.3 -6,-0.1 45,-0.1 -0.364 72.0 125.0 -58.6 131.2 43.3 -7.2 91.8 91 94 A S - 0 0 43 -2,-0.1 45,-2.6 -3,-0.0 2,-0.3 -0.953 65.9 -63.5-168.2-176.8 42.5 -3.5 91.9 92 95 A E E - d 0 136A 111 -2,-0.3 2,-0.3 43,-0.2 45,-0.2 -0.678 60.9-173.8 -80.9 141.5 42.0 -0.3 94.0 93 96 A V E - d 0 137A 2 43,-3.4 45,-2.9 -2,-0.3 2,-0.4 -0.996 28.6-139.9-144.8 150.0 39.1 -0.9 96.3 94 97 A D E -a 2 0A 66 -93,-2.6 -91,-2.6 -2,-0.3 2,-0.3 -0.845 32.3-167.1-101.5 141.0 37.0 0.9 98.8 95 98 A I E -ad 3 140A 2 44,-3.1 46,-2.2 -2,-0.4 2,-0.4 -0.925 25.3-153.9-133.6 159.4 36.1 -1.2 101.9 96 99 A V E +ad 4 141A 7 -93,-1.8 -91,-3.3 -2,-0.3 46,-0.2 -1.000 28.7 178.8-126.2 121.3 33.8 -1.2 104.9 97 100 A C E - d 0 142A 0 44,-2.7 46,-1.8 -2,-0.4 2,-0.3 -0.594 18.8-113.3-117.2-177.4 35.3 -3.2 107.8 98 101 A T E - d 0 143A 0 -93,-0.4 -91,-0.1 44,-0.2 47,-0.0 -0.888 12.3-162.6-126.0 154.3 34.1 -3.9 111.4 99 102 A L E - d 0 144A 0 44,-1.6 46,-1.2 -2,-0.3 5,-0.1 -0.989 38.6-103.6-127.5 135.2 35.0 -3.2 115.0 100 103 A P >> - 0 0 9 0, 0.0 4,-3.2 0, 0.0 3,-1.2 -0.101 38.3-104.9 -52.4 157.6 33.7 -5.4 117.8 101 104 A L H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 89,-0.1 0.890 120.7 46.1 -55.1 -43.8 30.8 -3.8 119.9 102 105 A T H 34 S+ 0 0 68 2,-0.2 -1,-0.3 1,-0.2 5,-0.1 0.530 116.7 45.7 -80.9 -4.4 33.0 -2.9 122.9 103 106 A E H <4 S+ 0 0 32 -3,-1.2 12,-0.2 3,-0.1 -2,-0.2 0.792 115.5 44.1 -98.2 -44.6 35.7 -1.5 120.6 104 107 A Y H < S+ 0 0 39 -4,-3.2 8,-3.3 7,-0.1 2,-0.4 0.858 120.8 44.3 -67.0 -36.2 33.4 0.5 118.4 105 108 A Y B < S-I 111 0C 29 -4,-2.1 -1,-0.1 -5,-0.3 2,-0.1 -0.907 77.3-140.1-115.3 139.7 31.5 1.8 121.4 106 109 A D > - 0 0 55 4,-3.0 3,-2.6 -2,-0.4 4,-0.2 -0.277 47.9 -78.3 -83.8 178.8 32.8 3.1 124.7 107 110 A R T 3 S+ 0 0 235 1,-0.3 81,-0.1 2,-0.2 -1,-0.1 0.674 133.0 51.8 -49.5 -26.3 31.2 2.3 128.1 108 111 A N T 3 S- 0 0 113 2,-0.1 -1,-0.3 3,-0.0 -2,-0.0 0.173 120.8-107.3 -99.2 16.8 28.4 4.9 127.5 109 112 A N S < S+ 0 0 48 -3,-2.6 -2,-0.2 1,-0.3 76,-0.1 0.825 75.8 142.5 60.4 33.2 27.6 3.4 124.1 110 113 A Q - 0 0 110 -4,-0.2 -4,-3.0 1,-0.0 -1,-0.3 -0.855 63.7 -98.2-100.7 134.5 29.2 6.4 122.5 111 114 A P B -I 105 0C 66 0, 0.0 2,-1.1 0, 0.0 -6,-0.3 -0.300 33.5-128.4 -56.1 137.5 31.2 5.7 119.4 112 115 A N > - 0 0 31 -8,-3.3 4,-2.0 1,-0.2 3,-0.3 -0.749 22.9-170.6 -89.3 95.4 34.9 5.4 120.2 113 116 A T H > S+ 0 0 94 -2,-1.1 4,-2.6 1,-0.2 5,-0.3 0.863 80.6 56.2 -53.7 -43.0 36.5 7.8 117.8 114 117 A E H > S+ 0 0 155 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 108.6 44.2 -58.3 -48.4 40.0 6.7 118.6 115 118 A N H > S+ 0 0 27 -3,-0.3 4,-2.3 -12,-0.2 -1,-0.2 0.896 113.4 53.1 -64.8 -40.3 39.5 3.1 117.9 116 119 A I H X S+ 0 0 20 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 112.2 42.1 -62.6 -46.4 37.7 3.9 114.7 117 120 A E H X S+ 0 0 99 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.843 113.5 54.4 -70.7 -30.7 40.4 6.1 113.3 118 121 A R H X S+ 0 0 139 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.870 107.7 50.6 -67.5 -37.2 43.0 3.6 114.5 119 122 A K H >X S+ 0 0 0 -4,-2.3 4,-0.8 2,-0.2 3,-0.5 0.954 112.8 45.2 -63.6 -52.5 41.1 0.9 112.6 120 123 A K H >< S+ 0 0 48 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.948 109.7 54.9 -56.4 -50.9 41.1 3.0 109.4 121 124 A A H >< S+ 0 0 50 -4,-2.8 3,-1.6 1,-0.2 -1,-0.2 0.777 95.9 69.8 -54.1 -30.0 44.7 3.9 109.8 122 125 A N H X< S+ 0 0 8 -4,-1.2 3,-1.7 -3,-0.5 -1,-0.2 0.892 93.7 52.6 -59.3 -43.0 45.6 0.2 110.0 123 126 A F T << S+ 0 0 8 -3,-1.1 -1,-0.3 -4,-0.8 14,-0.2 0.395 89.7 81.2 -75.7 7.2 44.8 -0.5 106.3 124 127 A R T < + 0 0 143 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.3 0.505 69.6 110.2 -86.4 -7.0 47.1 2.4 105.6 125 128 A K S < S- 0 0 59 -3,-1.7 2,-0.3 -4,-0.1 -74,-0.1 -0.537 74.8-119.8 -74.2 131.9 50.0 -0.2 106.0 126 129 A K - 0 0 184 -2,-0.3 2,-0.3 -75,-0.1 -1,-0.1 -0.548 33.2-174.9 -77.0 130.9 51.8 -1.1 102.8 127 130 A I - 0 0 20 -2,-0.3 2,-0.3 8,-0.2 -77,-0.2 -0.921 7.8-167.5-126.5 151.1 51.7 -4.8 101.8 128 131 A T E -G 49 0B 71 -79,-1.6 -79,-1.3 -2,-0.3 2,-0.4 -0.983 12.1-143.2-137.3 146.3 53.4 -6.7 98.9 129 132 A L E > -GH 48 132B 27 3,-0.6 3,-1.3 -2,-0.3 2,-0.3 -0.934 25.0-118.0-112.5 131.8 52.8 -10.2 97.5 130 133 A N T 3 S+ 0 0 65 -83,-2.7 -83,-0.3 -2,-0.4 3,-0.1 -0.517 98.8 0.5 -68.8 126.2 55.7 -12.3 96.3 131 134 A G T 3 S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.2 -1,-0.3 0.907 129.9 56.4 63.8 42.8 55.3 -13.1 92.7 132 135 A G B < S-H 129 0B 43 -3,-1.3 -3,-0.6 2,-0.0 2,-0.3 -0.972 79.6 -94.9 176.1 169.9 52.1 -11.1 92.5 133 136 A D - 0 0 130 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.1 -0.793 28.7-142.5-108.2 149.5 50.2 -7.9 92.9 134 137 A T - 0 0 13 -2,-0.3 -53,-0.0 -7,-0.2 -54,-0.0 -0.716 25.3-101.8-107.4 156.0 48.1 -6.8 95.9 135 138 A F - 0 0 6 -2,-0.3 2,-0.6 -55,-0.1 -43,-0.2 -0.276 33.5-123.8 -69.0 163.0 44.8 -4.8 96.0 136 139 A T E -d 92 0A 68 -45,-2.6 -43,-3.4 -56,-0.0 2,-0.8 -0.931 16.2-146.7-116.3 108.6 45.0 -1.1 96.8 137 140 A I E +d 93 0A 21 -2,-0.6 -43,-0.2 -45,-0.2 3,-0.1 -0.639 30.0 161.2 -77.9 107.2 42.9 -0.1 99.8 138 141 A K E + 0 0 99 -45,-2.9 -44,-0.2 -2,-0.8 -1,-0.1 0.676 56.3 22.8 -90.7-108.4 41.6 3.4 99.2 139 142 A D E - 0 0 72 1,-0.0 -44,-3.1 -43,-0.0 2,-0.4 -0.325 66.0-168.2 -65.8 141.1 38.5 4.5 101.3 140 143 A V E -d 95 0A 4 -46,-0.2 2,-0.3 -3,-0.1 -44,-0.2 -0.981 6.1-177.7-133.7 118.9 37.8 2.7 104.6 141 144 A K E -d 96 0A 111 -46,-2.2 -44,-2.7 -2,-0.4 2,-0.4 -0.823 14.9-146.1-109.9 154.2 34.6 3.0 106.6 142 145 A V E -d 97 0A 14 -2,-0.3 -44,-0.2 -46,-0.2 -26,-0.0 -0.967 13.5-174.6-123.6 139.5 34.0 1.3 109.9 143 146 A M E -d 98 0A 30 -46,-1.8 -44,-1.6 -2,-0.4 -39,-0.1 -0.944 31.5-107.4-128.9 150.3 30.7 -0.1 111.2 144 147 A P E -d 99 0A 10 0, 0.0 -43,-0.1 0, 0.0 -42,-0.0 -0.367 33.8-123.5 -70.4 163.0 30.0 -1.6 114.6 145 148 A E S > S+ 0 0 15 -46,-1.2 4,-0.6 2,-0.1 167,-0.1 0.988 93.9 38.6 -76.5 -61.1 29.5 -5.3 114.5 146 149 A S H >> S+ 0 0 1 1,-0.2 3,-0.9 2,-0.1 4,-0.7 0.927 107.9 60.2 -57.3 -52.2 26.1 -6.3 116.0 147 150 A I H >> S+ 0 0 8 1,-0.2 3,-1.2 2,-0.2 4,-1.2 0.810 92.9 59.4 -46.9 -53.3 23.9 -3.4 114.6 148 151 A P H 34 S+ 0 0 5 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.840 103.9 54.7 -51.3 -35.1 24.3 -3.8 110.8 149 152 A A H << S+ 0 0 14 -3,-0.9 -2,-0.2 -4,-0.6 3,-0.1 0.809 113.7 40.6 -70.2 -28.3 22.9 -7.3 110.9 150 153 A G H XX S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.7 3,-0.8 0.509 89.8 95.4 -98.3 -3.9 19.7 -6.2 112.7 151 154 A Y H 3X S+ 0 0 73 -4,-1.2 4,-2.5 -3,-0.3 5,-0.2 0.895 78.7 51.8 -55.2 -51.8 19.1 -2.9 110.8 152 155 A E H 34 S+ 0 0 118 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.764 116.0 44.7 -62.9 -19.3 16.6 -4.1 108.2 153 156 A V H X> S+ 0 0 10 -3,-0.8 4,-0.9 2,-0.2 3,-0.8 0.867 109.9 55.1 -84.4 -42.9 14.5 -5.5 111.0 154 157 A L H >< S+ 0 0 0 -4,-2.6 27,-2.4 1,-0.3 3,-0.5 0.839 98.0 63.3 -58.9 -34.7 15.0 -2.4 113.1 155 158 A Q T 3< S+ 0 0 101 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.899 106.5 44.7 -57.2 -39.4 13.7 -0.2 110.3 156 159 A E T <4 S+ 0 0 151 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.643 97.6 96.2 -79.3 -17.1 10.4 -2.0 110.7 157 160 A L S << S- 0 0 9 -4,-0.9 2,-0.2 -3,-0.5 6,-0.0 -0.440 79.4-114.8 -78.2 148.8 10.4 -1.8 114.5 158 161 A D > - 0 0 79 -2,-0.1 3,-1.8 1,-0.1 22,-0.6 -0.579 32.9-108.5 -79.0 144.9 8.6 0.9 116.4 159 162 A E T 3 S+ 0 0 98 1,-0.3 21,-0.1 -2,-0.2 -1,-0.1 0.652 118.7 52.3 -46.0 -22.2 10.8 3.2 118.4 160 163 A L T 3 S+ 0 0 141 19,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.719 95.9 76.3 -89.9 -26.4 9.6 1.6 121.7 161 164 A D < - 0 0 41 -3,-1.8 19,-2.9 -7,-0.1 2,-0.4 -0.424 69.5-154.5 -79.3 162.3 10.3 -2.0 120.7 162 165 A S E -J 179 0D 2 17,-0.3 110,-1.8 107,-0.2 109,-1.7 -0.997 11.1-133.6-145.9 138.3 13.9 -3.2 120.8 163 166 A L E -Jk 178 272D 0 15,-2.6 15,-2.8 -2,-0.4 2,-0.7 -0.749 13.2-148.5 -91.2 133.0 15.8 -6.0 119.0 164 167 A L E -Jk 177 273D 0 108,-2.6 110,-2.9 -2,-0.4 2,-0.6 -0.914 17.1-159.7-100.1 114.3 18.1 -8.2 121.1 165 168 A I E -Jk 176 274D 0 11,-3.3 11,-2.3 -2,-0.7 2,-0.6 -0.892 6.4-167.8-102.6 122.4 21.0 -9.2 118.9 166 169 A I E -Jk 175 275D 0 108,-3.1 110,-3.6 -2,-0.6 2,-0.6 -0.936 4.1-173.4-114.7 112.4 22.9 -12.3 119.9 167 170 A D E -Jk 174 276D 17 7,-2.7 7,-2.1 -2,-0.6 2,-0.8 -0.902 7.2-169.9-108.5 110.7 26.2 -12.9 118.1 168 171 A L E +J 173 0D 1 108,-2.4 111,-2.4 -2,-0.6 112,-0.3 -0.848 21.2 172.5-103.6 103.8 28.1 -16.1 118.7 169 172 A G - 0 0 15 3,-2.3 27,-2.6 -2,-0.8 28,-0.2 -0.132 47.6 -80.1 -95.5-166.3 31.5 -15.7 117.1 170 173 A G S S+ 0 0 19 25,-0.3 27,-2.7 26,-0.2 25,-0.2 0.870 121.0 1.2 -67.0 -38.8 34.7 -17.8 117.0 171 174 A T S S+ 0 0 42 24,-0.2 2,-0.3 23,-0.2 24,-0.2 0.355 126.5 49.5-133.1 5.9 36.1 -16.7 120.4 172 175 A T - 0 0 18 21,-0.1 -3,-2.3 -106,-0.0 2,-0.4 -0.953 56.1-148.1-144.5 161.0 33.5 -14.2 121.8 173 176 A L E -JL 168 191D 2 18,-3.0 18,-1.3 -2,-0.3 2,-0.5 -0.970 22.2-176.3-131.7 113.8 29.8 -13.9 122.5 174 177 A D E -JL 167 190D 8 -7,-2.1 -7,-2.7 -2,-0.4 2,-0.4 -0.948 4.4-172.8-118.2 133.2 28.4 -10.4 122.2 175 178 A I E +JL 166 189D 0 14,-2.8 14,-3.7 -2,-0.5 2,-0.3 -0.971 6.8 174.3-124.1 137.5 24.8 -9.4 122.9 176 179 A S E -JL 165 188D 1 -11,-2.3 -11,-3.3 -2,-0.4 2,-0.5 -0.958 22.3-145.8-138.6 156.4 23.2 -6.0 122.3 177 180 A Q E -JL 164 187D 7 10,-2.7 9,-2.0 -2,-0.3 10,-1.5 -0.981 21.8-171.2-125.8 115.6 19.7 -4.5 122.6 178 181 A V E -JL 163 185D 0 -15,-2.8 -15,-2.6 -2,-0.5 7,-0.2 -0.918 21.3-120.5-115.5 133.8 18.8 -1.8 120.0 179 182 A M E >> -J 162 0D 45 5,-3.3 4,-0.8 -2,-0.4 3,-0.5 -0.347 46.3 -82.4 -70.8 145.4 15.8 0.5 119.9 180 183 A G G >4 S+ 0 0 0 -19,-2.9 3,-1.0 -22,-0.6 -25,-0.2 -0.078 116.5 18.3 -47.2 141.6 13.5 0.3 116.9 181 184 A K G 34 S- 0 0 86 -27,-2.4 -1,-0.2 1,-0.2 -26,-0.1 0.891 126.4 -80.0 60.1 39.9 14.5 2.4 113.9 182 185 A L G <4 S+ 0 0 72 -3,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.815 87.2 149.5 34.2 45.4 18.0 2.4 115.4 183 186 A S << - 0 0 65 -3,-1.0 2,-0.2 -4,-0.8 -1,-0.2 0.241 65.4 -22.5 -88.8 14.9 16.9 5.2 117.7 184 187 A G - 0 0 28 -5,-0.5 -5,-3.3 0, 0.0 2,-0.7 -0.669 60.0-105.4 153.2 151.2 19.2 4.2 120.5 185 188 A I E -L 178 0D 33 -7,-0.2 -7,-0.2 -2,-0.2 3,-0.1 -0.900 25.9-173.7-103.5 112.0 21.3 1.4 122.0 186 189 A S E - 0 0 64 -9,-2.0 2,-0.3 -2,-0.7 -8,-0.2 0.902 64.9 -16.6 -71.1 -43.0 19.7 0.1 125.1 187 190 A K E -L 177 0D 61 -10,-1.5 -10,-2.7 2,-0.0 2,-0.4 -0.978 48.6-157.4-165.9 149.8 22.5 -2.2 126.2 188 191 A I E -L 176 0D 28 -2,-0.3 2,-0.5 -12,-0.2 -12,-0.2 -1.000 7.5-173.0-132.0 130.1 25.7 -4.0 125.1 189 192 A Y E -L 175 0D 83 -14,-3.7 -14,-2.8 -2,-0.4 2,-0.5 -0.935 7.3-169.8-127.5 106.9 27.2 -7.0 126.8 190 193 A G E +L 174 0D 34 -2,-0.5 2,-0.4 -16,-0.2 -16,-0.2 -0.843 7.5 176.8-100.1 129.1 30.6 -8.1 125.5 191 194 A D E > +L 173 0D 19 -18,-1.3 -18,-3.0 -2,-0.5 3,-0.5 -0.894 11.1 174.0-134.7 103.8 32.0 -11.5 126.6 192 195 A S T 3 + 0 0 77 -2,-0.4 -1,-0.1 -20,-0.2 -18,-0.1 0.303 61.2 90.6 -93.2 12.7 35.3 -12.6 125.1 193 196 A S T 3 S+ 0 0 79 -20,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.655 91.3 23.3 -82.6 -17.0 35.6 -15.7 127.3 194 197 A L < + 0 0 14 -3,-0.5 2,-0.2 -21,-0.1 -25,-0.2 -0.998 57.8 145.6-151.4 154.2 33.8 -18.1 124.9 195 198 A G >> - 0 0 0 -2,-0.3 3,-1.5 -25,-0.2 4,-0.5 -0.839 68.1 -61.9-161.5-165.3 32.9 -18.7 121.3 196 199 A V H >> S+ 0 0 20 -27,-2.6 4,-2.7 1,-0.3 3,-0.7 0.808 119.5 77.2 -65.4 -26.7 32.5 -21.6 118.8 197 200 A S H 3> S+ 0 0 53 -27,-2.7 4,-2.8 1,-0.3 -1,-0.3 0.718 84.7 65.4 -55.2 -22.2 36.2 -22.4 119.3 198 201 A L H <> S+ 0 0 46 -3,-1.5 4,-1.7 -28,-0.2 -1,-0.3 0.970 108.6 36.5 -63.6 -53.4 35.1 -24.0 122.6 199 202 A V H S+ 0 0 9 -4,-2.3 5,-3.0 1,-0.2 -1,-0.2 0.743 116.5 41.0 -61.7 -23.2 39.7 -31.8 118.0 205 208 A D H <5S+ 0 0 82 -4,-1.4 3,-0.3 3,-0.2 -1,-0.2 0.851 106.3 59.7 -91.1 -39.5 40.3 -33.4 121.4 206 209 A A H <5S+ 0 0 17 -4,-2.2 2,-0.5 1,-0.3 -2,-0.2 0.793 118.6 35.8 -56.4 -28.1 37.4 -35.9 121.2 207 210 A L T <5S- 0 0 11 -4,-1.6 -1,-0.3 -5,-0.1 34,-0.0 -0.909 109.1-114.6-125.1 95.9 39.2 -37.1 118.1 208 211 A S T 5 + 0 0 117 -2,-0.5 2,-0.4 -3,-0.3 -3,-0.2 -0.040 59.0 170.8 -36.1 91.6 42.9 -36.8 118.9 209 212 A L < - 0 0 39 -5,-3.0 2,-0.5 -6,-0.0 -1,-0.1 -0.902 44.8 -97.5-117.7 142.3 43.2 -34.1 116.1 210 213 A A > - 0 0 64 -2,-0.4 2,-2.3 1,-0.1 5,-0.6 -0.412 37.2-130.9 -59.5 110.0 46.1 -31.8 115.3 211 214 A R T 5S+ 0 0 157 -2,-0.5 2,-0.3 3,-0.1 -1,-0.1 -0.450 70.2 107.5 -67.4 83.2 45.1 -28.6 117.0 212 215 A T T > 5S- 0 0 39 -2,-2.3 3,-0.6 -151,-0.3 4,-0.5 -0.963 88.5 -99.2-153.6 160.9 45.8 -26.5 114.0 213 216 A K G > 5S+ 0 0 31 -153,-3.8 3,-0.8 -2,-0.3 4,-0.4 0.732 112.9 77.0 -58.5 -20.2 43.7 -24.6 111.4 214 217 A G G > 5S+ 0 0 32 -154,-0.4 3,-1.1 -155,-0.4 4,-0.3 0.974 97.1 39.1 -53.9 -60.5 44.2 -27.6 109.2 215 218 A S G X> S+ 0 0 9 -3,-0.8 4,-2.2 -4,-0.5 -1,-0.2 0.785 80.5 55.1 -57.3 -28.1 39.2 -27.0 111.4 217 220 A Y H <> S+ 0 0 126 -3,-1.1 4,-2.1 -4,-0.4 -1,-0.3 0.869 109.9 45.6 -72.8 -36.5 37.4 -28.1 108.3 218 221 A L H <> S+ 0 0 41 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.964 113.5 48.7 -68.5 -52.3 36.9 -31.6 109.8 219 222 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.884 112.4 50.4 -53.4 -43.4 35.9 -30.2 113.2 220 223 A D H X S+ 0 0 57 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.919 106.9 52.4 -61.7 -48.1 33.4 -27.9 111.4 221 224 A D H X S+ 0 0 44 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.880 111.6 48.0 -56.4 -40.6 31.8 -30.7 109.3 222 225 A I H < S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.936 111.8 47.5 -67.3 -48.0 31.3 -32.7 112.5 223 226 A I H >< S+ 0 0 5 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.940 116.6 45.1 -57.8 -48.8 29.7 -29.8 114.5 224 227 A I H 3< S+ 0 0 93 -4,-2.8 3,-0.3 1,-0.3 -1,-0.2 0.864 120.6 37.7 -63.9 -41.0 27.5 -28.9 111.5 225 228 A H T >< S+ 0 0 57 -4,-2.3 3,-1.3 -5,-0.2 7,-0.4 -0.056 79.0 122.5-101.6 30.5 26.4 -32.5 110.8 226 229 A R T < S+ 0 0 32 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.666 73.6 50.9 -68.4 -15.4 26.2 -33.5 114.5 227 230 A K T 3 S+ 0 0 154 -3,-0.3 2,-0.6 1,-0.1 -1,-0.2 0.437 95.6 76.6-101.2 0.3 22.6 -34.6 114.1 228 231 A D <> - 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