==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-NOV-00 1G7O . COMPND 2 MOLECULE: GLUTAREDOXIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.XIA,A.VLAMIS-GARDIKAS,A.HOLMGREN,P.E.WRIGHT,H.J.DYSON . 215 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 177 82.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 47.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.3 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 0 0 0 1 1 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 45 0, 0.0 26,-2.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 54.1 1.1 -0.9 -2.6 2 2 A K E -aB 27 52A 61 50,-2.1 50,-3.1 24,-0.2 2,-0.7 -0.960 360.0-150.9-120.2 131.9 0.6 2.1 -5.0 3 3 A L E -aB 28 51A 0 24,-1.9 26,-3.0 -2,-0.4 2,-0.5 -0.888 4.9-159.4-103.7 107.6 -1.7 5.1 -4.5 4 4 A Y E +aB 29 50A 41 46,-2.8 46,-2.2 -2,-0.7 2,-0.3 -0.773 38.3 151.7 -80.1 119.8 -3.0 6.6 -7.8 5 5 A I E -a 30 0A 0 24,-2.9 26,-2.6 -2,-0.5 2,-0.4 -0.871 57.8-125.4-145.3 171.7 -4.1 10.1 -6.7 6 6 A Y > - 0 0 22 -2,-0.3 3,-2.6 24,-0.2 6,-0.2 -0.972 41.3-131.6-123.5 104.1 -4.6 13.8 -7.4 7 7 A D T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.665 100.3 50.1 -31.8 -49.0 -2.5 15.4 -4.6 8 8 A H T 3 S+ 0 0 15 4,-0.1 -1,-0.3 97,-0.1 5,-0.1 0.779 80.2 118.1 -64.2 -32.0 -5.1 17.9 -3.4 9 9 A C X> - 0 0 21 -3,-2.6 4,-2.3 1,-0.1 3,-1.0 -0.171 60.6-145.1 -51.2 115.0 -7.9 15.3 -3.0 10 10 A P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.1 0.853 101.5 54.6 -44.0 -45.7 -9.1 15.0 0.7 11 11 A Y H 3> S+ 0 0 104 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.888 107.6 49.5 -60.3 -39.2 -9.7 11.3 0.2 12 12 A C H <> S+ 0 0 0 -3,-1.0 4,-3.1 36,-0.3 5,-0.2 0.925 108.6 52.6 -67.5 -39.8 -6.1 10.9 -1.0 13 13 A L H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.940 108.8 51.1 -55.7 -47.6 -4.9 12.9 2.1 14 14 A K H X S+ 0 0 15 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.929 112.9 45.8 -54.9 -48.5 -6.9 10.4 4.2 15 15 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.973 114.2 46.3 -57.0 -57.1 -5.2 7.5 2.4 16 16 A R H X S+ 0 0 23 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.909 111.2 54.9 -57.1 -42.5 -1.7 9.0 2.7 17 17 A M H X S+ 0 0 0 -4,-3.1 4,-3.0 -5,-0.2 5,-0.3 0.928 107.2 48.2 -53.6 -54.3 -2.4 9.7 6.4 18 18 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.958 114.0 46.6 -57.6 -48.3 -3.3 6.1 7.2 19 19 A F H X>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 4,-1.5 0.912 114.1 50.3 -55.6 -44.5 -0.2 4.9 5.4 20 20 A G H <5S+ 0 0 21 -4,-2.9 3,-0.2 -5,-0.2 -2,-0.2 0.960 113.8 41.5 -57.1 -58.7 1.8 7.5 7.3 21 21 A L H <5S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.912 117.7 46.5 -61.6 -46.1 0.5 6.8 10.8 22 22 A K H <5S- 0 0 27 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.758 109.4-131.8 -64.9 -25.1 0.7 3.0 10.3 23 23 A N T <5 + 0 0 138 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.924 52.3 150.7 71.9 49.9 4.2 3.7 8.8 24 24 A I < - 0 0 40 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.1 -0.967 48.4-121.1-113.4 114.4 3.7 1.5 5.7 25 25 A P - 0 0 114 0, 0.0 2,-0.3 0, 0.0 -5,-0.0 -0.251 35.1-175.4 -51.4 143.2 5.6 2.6 2.6 26 26 A V - 0 0 35 -23,-0.0 2,-1.3 -24,-0.0 -24,-0.2 -0.988 29.6-123.8-151.3 131.1 3.3 3.4 -0.3 27 27 A E E -a 2 0A 100 -26,-2.9 -24,-1.9 -2,-0.3 2,-0.2 -0.654 29.9-154.4 -82.3 92.3 4.1 4.4 -4.0 28 28 A L E -a 3 0A 70 -2,-1.3 2,-0.4 -26,-0.2 -24,-0.2 -0.512 10.4-170.4 -66.0 132.6 2.3 7.7 -4.4 29 29 A H E -a 4 0A 62 -26,-3.0 -24,-2.9 -2,-0.2 2,-1.2 -0.909 10.0-155.7-132.0 100.2 1.4 8.3 -8.1 30 30 A V E -a 5 0A 67 -2,-0.4 -24,-0.2 -26,-0.2 2,-0.1 -0.667 17.7-158.7 -81.3 96.0 0.1 11.9 -8.8 31 31 A L - 0 0 32 -26,-2.6 2,-0.2 -2,-1.2 -24,-0.2 -0.414 25.6-102.7 -71.4 151.5 -2.0 11.4 -12.0 32 32 A L > - 0 0 60 1,-0.1 3,-1.9 -2,-0.1 81,-0.2 -0.567 30.4-124.6 -67.4 138.8 -2.7 14.4 -14.2 33 33 A N T 3 S+ 0 0 8 79,-2.7 -1,-0.1 1,-0.3 80,-0.1 0.840 110.6 66.8 -61.1 -31.2 -6.3 15.5 -13.5 34 34 A D T > S+ 0 0 55 78,-0.4 2,-2.2 1,-0.2 3,-0.5 0.814 80.9 85.7 -54.1 -32.1 -7.0 15.1 -17.3 35 35 A D T < + 0 0 25 -3,-1.9 -1,-0.2 1,-0.2 -4,-0.1 -0.497 43.3 131.1 -77.7 81.3 -6.4 11.3 -16.7 36 36 A A T 3> + 0 0 9 -2,-2.2 4,-2.6 2,-0.1 -1,-0.2 0.722 63.0 68.5 -89.5 -34.8 -10.0 10.5 -15.6 37 37 A E H <> S+ 0 0 131 -3,-0.5 4,-3.1 2,-0.2 5,-0.2 0.912 96.1 48.3 -53.8 -54.7 -10.0 7.6 -18.1 38 38 A T H > S+ 0 0 44 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.954 113.1 47.0 -62.9 -51.1 -7.5 5.3 -16.3 39 39 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 6,-0.5 0.948 114.3 49.7 -44.6 -54.4 -9.1 5.7 -12.8 40 40 A T H X S+ 0 0 58 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.910 111.6 48.1 -53.7 -48.6 -12.5 5.0 -14.5 41 41 A R H < S+ 0 0 193 -4,-3.1 -1,-0.2 1,-0.2 -3,-0.2 0.937 115.0 44.8 -57.2 -51.6 -11.1 1.9 -16.3 42 42 A M H < S+ 0 0 52 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.927 131.8 15.5 -64.0 -51.6 -9.5 0.4 -13.2 43 43 A V H < S- 0 0 29 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.325 96.4-117.3-111.7 5.6 -12.3 0.9 -10.6 44 44 A G S < S+ 0 0 67 -4,-2.0 2,-0.3 -5,-0.4 -4,-0.2 0.788 89.1 85.1 64.3 27.5 -15.4 1.6 -12.8 45 45 A Q S S- 0 0 86 -6,-0.5 2,-1.8 -5,-0.2 -2,-0.3 -0.936 83.6-120.6-159.7 131.9 -15.7 5.1 -11.2 46 46 A K S S+ 0 0 109 -2,-0.3 2,-0.3 -6,-0.1 -9,-0.1 -0.592 74.6 107.4 -74.6 86.8 -14.0 8.5 -11.9 47 47 A Q - 0 0 25 -2,-1.8 -2,-0.1 -11,-0.2 -4,-0.1 -0.966 53.2-134.8-154.3 154.3 -12.4 8.9 -8.4 48 48 A V + 0 0 7 -2,-0.3 -36,-0.3 -42,-0.1 -37,-0.2 -0.964 68.8 81.3-143.7 124.2 -9.0 8.8 -6.9 49 49 A P + 0 0 0 0, 0.0 12,-0.6 0, 0.0 2,-0.4 -0.036 57.5 172.8-100.8 144.1 -7.5 7.6 -4.5 50 50 A I E -BC 4 60A 0 -46,-2.2 -46,-2.8 10,-0.2 2,-0.8 -0.992 19.4-152.2-123.9 122.3 -7.0 4.1 -6.0 51 51 A L E -BC 3 59A 0 8,-3.0 8,-2.7 -2,-0.4 2,-1.5 -0.857 3.7-155.4 -97.0 106.3 -4.9 1.7 -4.0 52 52 A Q E -BC 2 58A 11 -50,-3.1 -50,-2.1 -2,-0.8 6,-0.3 -0.725 26.9-149.8 -74.3 90.1 -3.2 -0.9 -6.1 53 53 A K E >> - C 0 57A 45 4,-2.9 4,-2.0 -2,-1.5 3,-0.5 -0.355 34.1 -79.3 -64.6 154.1 -2.8 -3.3 -3.2 54 54 A D T 34 S+ 0 0 109 1,-0.3 2,-1.8 2,-0.2 -2,-0.0 0.635 130.2 49.3 -22.2 -66.1 0.2 -5.7 -3.4 55 55 A D T 34 S- 0 0 129 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 -0.127 129.7 -91.7 -77.3 42.3 -1.1 -8.3 -5.9 56 56 A S T <4 S+ 0 0 52 -2,-1.8 2,-0.6 -3,-0.5 -2,-0.2 0.886 74.9 156.3 40.3 57.9 -2.1 -5.4 -8.2 57 57 A R E < -C 53 0A 154 -4,-2.0 -4,-2.9 2,-0.0 2,-0.8 -0.921 34.7-146.6-110.6 105.9 -5.6 -5.1 -6.8 58 58 A Y E -C 52 0A 74 -2,-0.6 -6,-0.3 -6,-0.3 -8,-0.0 -0.631 20.9-179.3 -76.3 106.1 -7.0 -1.6 -7.4 59 59 A M E -C 51 0A 28 -8,-2.7 -8,-3.0 -2,-0.8 2,-0.1 -0.937 9.2-156.7-109.5 126.3 -9.3 -0.6 -4.5 60 60 A P E +C 50 0A 32 0, 0.0 5,-0.2 0, 0.0 -10,-0.2 -0.252 45.7 62.3 -85.7-179.0 -11.1 2.8 -4.5 61 61 A E > - 0 0 48 -12,-0.6 4,-2.3 3,-0.1 5,-0.2 0.779 65.5-120.9 73.9 128.4 -12.5 5.0 -1.7 62 62 A S H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.965 109.7 48.5 -55.0 -64.7 -10.8 6.7 1.3 63 63 A M H > S+ 0 0 47 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.871 111.9 50.9 -53.9 -42.0 -12.7 5.0 4.1 64 64 A D H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.964 113.8 44.1 -55.4 -56.4 -12.2 1.6 2.5 65 65 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.927 114.4 51.3 -54.1 -49.0 -8.4 2.2 2.2 66 66 A V H X S+ 0 0 0 -4,-3.2 4,-3.0 2,-0.2 -2,-0.2 0.955 115.2 39.6 -53.8 -59.2 -8.3 3.6 5.8 67 67 A H H X S+ 0 0 70 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.931 117.1 50.6 -62.3 -46.2 -10.1 0.7 7.4 68 68 A Y H X S+ 0 0 86 -4,-3.0 4,-1.4 -5,-0.3 3,-0.3 0.959 115.0 41.1 -55.2 -57.3 -8.2 -1.9 5.3 69 69 A V H >X S+ 0 0 0 -4,-3.1 3,-0.9 1,-0.2 4,-0.6 0.951 113.9 54.2 -59.3 -47.8 -4.8 -0.5 6.0 70 70 A D H 3<>S+ 0 0 0 -4,-3.0 5,-0.7 -5,-0.3 7,-0.4 0.842 117.4 37.5 -50.0 -39.7 -5.8 0.0 9.7 71 71 A K H ><5S+ 0 0 100 -4,-2.3 3,-2.5 -3,-0.3 -1,-0.3 0.563 90.1 96.7 -89.9 -11.2 -6.8 -3.7 9.7 72 72 A L H <<5S+ 0 0 82 -4,-1.4 -1,-0.2 -3,-0.9 -2,-0.1 0.845 94.6 34.5 -47.3 -47.0 -3.9 -4.9 7.5 73 73 A D T 3<5S- 0 0 78 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.1 0.190 116.0-111.6 -95.0 11.3 -1.7 -5.9 10.5 74 74 A G T < 5S+ 0 0 62 -3,-2.5 -3,-0.2 1,-0.1 -2,-0.1 0.843 87.2 110.6 58.4 39.3 -4.7 -7.0 12.6 75 75 A K < - 0 0 134 -5,-0.7 2,-1.5 0, 0.0 -2,-0.2 -0.816 62.5-147.0-143.4 95.8 -4.2 -4.1 15.0 76 76 A P > + 0 0 73 0, 0.0 3,-0.5 0, 0.0 -5,-0.1 -0.475 26.5 173.0 -71.1 93.1 -7.0 -1.3 14.9 77 77 A L T 3 + 0 0 87 -2,-1.5 91,-0.2 -7,-0.4 3,-0.2 0.878 69.8 24.3 -69.7 -44.9 -4.7 1.6 15.7 78 78 A L T 3 S+ 0 0 0 1,-0.1 95,-0.2 89,-0.1 -1,-0.2 -0.245 93.1 87.8-127.3 43.5 -7.1 4.5 15.2 79 79 A T < + 0 0 25 -3,-0.5 3,-0.3 90,-0.3 90,-0.3 -0.169 54.4 125.3-124.1 35.7 -10.7 3.3 15.6 80 80 A G S S- 0 0 42 88,-3.0 2,-0.4 1,-0.2 89,-0.2 0.974 77.4 -2.9 -65.1 -71.4 -10.7 3.9 19.4 81 81 A K - 0 0 97 86,-0.3 -1,-0.2 87,-0.1 2,-0.2 -0.829 65.0-156.5-131.6 95.4 -13.7 6.2 20.2 82 82 A R - 0 0 132 -2,-0.4 -3,-0.0 -3,-0.3 86,-0.0 -0.517 10.3-154.4 -68.1 136.7 -15.8 7.6 17.3 83 83 A S >> - 0 0 19 -2,-0.2 4,-2.1 1,-0.1 3,-0.9 -0.913 7.8-158.1-118.5 104.6 -17.7 10.8 18.4 84 84 A P H 3> S+ 0 0 88 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.853 94.0 56.0 -44.2 -47.9 -20.9 11.6 16.4 85 85 A A H 3> S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.895 109.1 47.2 -54.7 -42.3 -20.8 15.3 17.2 86 86 A I H <> S+ 0 0 9 -3,-0.9 4,-3.3 2,-0.2 -1,-0.2 0.941 111.2 51.0 -65.9 -47.0 -17.3 15.4 15.7 87 87 A E H X S+ 0 0 40 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.945 113.5 45.3 -53.2 -52.2 -18.5 13.5 12.6 88 88 A E H X S+ 0 0 129 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.938 114.2 48.1 -55.0 -51.6 -21.4 15.9 12.2 89 89 A W H X S+ 0 0 68 -4,-2.8 4,-3.2 -5,-0.2 -2,-0.2 0.936 111.2 51.2 -59.9 -47.6 -19.2 19.0 12.7 90 90 A L H X S+ 0 0 0 -4,-3.3 4,-3.1 2,-0.2 -1,-0.2 0.916 109.8 49.6 -52.3 -51.5 -16.6 17.6 10.2 91 91 A R H X S+ 0 0 163 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.955 114.0 44.7 -58.1 -50.1 -19.4 17.1 7.6 92 92 A K H X S+ 0 0 68 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.942 114.2 49.6 -55.3 -51.3 -20.7 20.6 8.1 93 93 A V H X S+ 0 0 0 -4,-3.2 4,-3.1 2,-0.2 -2,-0.2 0.904 110.4 49.8 -58.9 -44.1 -17.1 22.1 8.1 94 94 A N H X S+ 0 0 56 -4,-3.1 4,-2.9 1,-0.2 5,-0.3 0.939 105.3 59.3 -56.2 -48.1 -16.4 20.1 4.8 95 95 A G H X S+ 0 0 38 -4,-2.7 4,-0.7 -5,-0.2 -2,-0.2 0.879 115.8 33.7 -45.6 -47.1 -19.6 21.6 3.4 96 96 A Y H >X S+ 0 0 63 -4,-1.9 3,-1.6 2,-0.1 4,-1.0 0.992 116.9 53.3 -68.3 -67.0 -18.1 25.0 4.0 97 97 A A H >X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.3 3,-1.0 0.793 100.1 62.0 -40.6 -53.6 -14.5 24.3 3.3 98 98 A N H 3X S+ 0 0 78 -4,-2.9 4,-2.9 1,-0.3 -1,-0.3 0.855 103.5 49.5 -39.2 -52.3 -15.2 22.7 -0.1 99 99 A K H << S+ 0 0 83 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.828 116.1 41.6 -65.5 -34.2 -16.6 26.0 -1.5 100 100 A L H X S+ 0 0 6 -4,-3.1 4,-2.9 1,-0.2 3,-1.0 0.923 95.7 69.7 -65.0 -54.1 -11.1 25.3 -1.4 102 102 A L H 3X S+ 0 0 12 -4,-2.9 4,-1.8 1,-0.3 -1,-0.2 0.836 103.3 42.0 -37.0 -60.8 -12.3 24.6 -4.9 103 103 A P H 3> S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 -1,-0.3 0.833 115.5 51.3 -62.8 -31.2 -11.2 28.0 -6.5 104 104 A R H S+ 0 0 8 -4,-2.9 5,-0.7 1,-0.2 -1,-0.2 0.868 113.4 43.6 -48.8 -39.6 -7.3 24.3 -5.9 106 106 A A H <5S+ 0 0 15 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.972 118.0 41.5 -65.9 -60.3 -7.7 25.9 -9.3 107 107 A K H <5S+ 0 0 112 -4,-2.8 2,-1.9 1,-0.2 -2,-0.2 0.966 111.4 55.0 -59.0 -59.3 -5.6 29.1 -8.6 108 108 A S T <5S- 0 0 16 -4,-2.6 2,-1.1 -5,-0.1 -1,-0.2 -0.600 95.7-144.4 -74.3 87.1 -2.8 27.3 -6.7 109 109 A A T 5 - 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0 0 42 -4,-2.7 3,-2.7 1,-0.2 4,-0.2 -0.610 67.6-169.5 -82.4 94.8 -20.4 28.0 -11.2 131 131 A G T >> S+ 0 0 55 -2,-1.5 3,-2.4 1,-0.3 4,-0.6 0.776 77.2 82.6 -50.6 -31.0 -20.1 31.8 -11.7 132 132 A N H >> S+ 0 0 101 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.774 73.1 74.9 -44.4 -34.8 -21.2 32.0 -8.1 133 133 A F H <> S+ 0 0 20 -3,-2.7 4,-3.1 1,-0.2 -1,-0.3 0.855 88.1 59.8 -52.3 -36.0 -17.6 31.3 -7.1 134 134 A A H <> S+ 0 0 69 -3,-2.4 4,-2.7 -4,-0.2 -1,-0.2 0.945 109.6 42.2 -52.8 -50.1 -16.8 34.9 -8.1 135 135 A D H < S+ 0 0 53 -4,-3.1 3,-1.8 2,-0.2 4,-0.2 0.958 110.2 48.6 -59.3 -51.2 -14.5 34.7 -3.5 138 138 A A H 3< S+ 0 0 76 -4,-2.7 3,-0.4 1,-0.3 -1,-0.2 0.886 115.2 46.6 -50.7 -41.9 -15.6 38.4 -3.1 139 139 A H H >X S+ 0 0 105 -4,-2.6 3,-2.0 1,-0.2 4,-1.1 0.497 78.0 119.0 -78.8 -8.2 -17.3 37.3 0.1 140 140 A S H XX + 0 0 12 -3,-1.8 4,-3.0 -4,-0.6 3,-0.7 0.734 68.2 58.3 -29.5 -57.4 -14.3 35.2 1.4 141 141 A D H 3> S+ 0 0 122 -3,-0.4 4,-2.4 1,-0.3 -1,-0.3 0.853 105.9 48.8 -46.9 -46.3 -13.8 37.3 4.6 142 142 A G H <> S+ 0 0 35 -3,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.883 113.4 47.2 -63.1 -38.7 -17.3 36.5 5.8 143 143 A L H X S+ 0 0 33 -4,-2.4 4,-2.1 2,-0.2 3,-0.6 0.978 112.6 47.0 -57.2 -51.6 -15.7 25.5 18.6 154 154 A L H 3X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.876 105.7 60.3 -55.4 -38.4 -13.8 22.5 17.2 155 155 A D H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 106.4 46.5 -59.8 -39.3 -10.7 23.9 19.1 156 156 A K H << S+ 0 0 133 -4,-1.9 -1,-0.2 -3,-0.6 -2,-0.2 0.894 112.6 50.9 -65.5 -41.0 -12.8 23.5 22.3 157 157 A L H < S+ 0 0 78 -4,-2.1 -2,-0.2 -5,-0.2 2,-0.2 0.848 80.4 105.4 -68.4 -37.3 -13.8 20.0 21.2 158 158 A I < - 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0 0 0 -90,-0.3 3,-2.3 -89,-0.2 4,-0.8 -0.924 54.2 -95.9-143.8 161.3 -10.4 7.5 16.0 170 170 A E H 3> S+ 0 0 32 1,-0.3 4,-2.1 -2,-0.3 5,-0.2 0.767 117.3 73.9 -60.3 -23.6 -11.5 7.9 12.3 171 171 A D H 3> S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.896 95.7 52.0 -51.3 -38.8 -12.6 11.5 13.2 172 172 A D H <> S+ 0 0 0 -3,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.913 102.6 58.0 -61.8 -45.1 -8.9 12.2 13.2 173 173 A I H < S+ 0 0 0 -4,-0.8 -2,-0.2 -95,-0.2 -1,-0.2 0.879 116.5 34.6 -54.0 -42.9 -8.6 10.6 9.7 174 174 A Q H X S+ 0 0 23 -4,-2.1 4,-2.3 2,-0.1 -2,-0.2 0.949 117.7 53.9 -71.9 -51.7 -11.1 13.1 8.5 175 175 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 -5,-0.2 5,-0.3 0.882 104.8 48.1 -55.9 -55.5 -10.0 16.0 10.7 176 176 A F H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.970 114.2 46.3 -58.1 -58.3 -6.3 16.3 9.9 177 177 A P H > S+ 0 0 3 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.869 112.8 53.0 -41.9 -47.3 -6.8 16.2 6.1 178 178 A L H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.971 112.7 41.0 -59.7 -53.7 -9.5 18.7 6.5 179 179 A L H X S+ 0 0 0 -4,-2.8 4,-1.7 2,-0.2 -1,-0.2 0.901 113.5 56.2 -58.0 -40.2 -7.4 21.2 8.4 180 180 A R H >X S+ 0 0 1 -4,-3.2 30,-0.6 -5,-0.3 4,-0.6 0.943 108.7 46.0 -59.9 -48.2 -4.5 20.4 6.0 181 181 A N H >< S+ 0 0 0 -4,-3.1 3,-2.5 1,-0.2 4,-0.5 0.969 108.0 57.8 -53.6 -55.6 -6.7 21.4 3.1 182 182 A L H >< S+ 0 0 0 -4,-2.9 3,-1.4 1,-0.3 6,-0.3 0.761 88.9 72.9 -52.1 -29.1 -7.8 24.5 5.0 183 183 A T H << S+ 0 0 0 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.861 90.6 61.2 -52.1 -32.9 -4.1 25.6 5.2 184 184 A L T << S+ 0 0 0 -3,-2.5 31,-2.3 -4,-0.6 2,-1.8 0.811 86.5 76.1 -60.7 -33.3 -4.5 26.4 1.5 185 185 A V S X S- 0 0 0 -3,-1.4 3,-2.4 -4,-0.5 -1,-0.2 -0.583 73.8-168.0 -82.0 80.9 -7.2 29.0 2.4 186 186 A A T 3 S+ 0 0 47 -2,-1.8 -1,-0.2 1,-0.3 28,-0.1 0.744 77.9 55.6 -43.3 -39.5 -4.6 31.5 3.6 187 187 A G T 3 S+ 0 0 46 -3,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.703 76.8 105.5 -69.6 -27.5 -7.2 33.7 5.2 188 188 A I S < S- 0 0 1 -3,-2.4 2,-1.6 -6,-0.3 -43,-0.1 -0.442 73.3-130.3 -70.4 123.4 -8.9 31.2 7.5 189 189 A N - 0 0 115 -2,-0.3 -1,-0.1 -45,-0.3 -2,-0.1 -0.548 20.2-150.8 -82.8 89.0 -7.8 31.9 11.1 190 190 A W - 0 0 72 -2,-1.6 -42,-0.1 1,-0.1 -1,-0.0 -0.399 17.6-128.7 -56.4 114.1 -6.6 28.5 12.4 191 191 A P > - 0 0 16 0, 0.0 4,-2.8 0, 0.0 5,-0.1 -0.080 22.2-103.0 -61.6 170.9 -7.1 28.4 16.2 192 192 A S H > S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.968 116.7 36.7 -64.8 -65.6 -4.3 27.4 18.6 193 193 A R H > S+ 0 0 85 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.863 117.8 55.4 -62.9 -34.5 -5.2 23.8 19.7 194 194 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.959 110.3 44.5 -56.1 -55.2 -6.4 23.3 16.1 195 195 A A H X S+ 0 0 23 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.921 114.6 49.7 -56.9 -46.0 -2.9 24.4 14.8 196 196 A D H X S+ 0 0 77 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.968 114.2 44.3 -54.3 -59.4 -1.2 22.3 17.4 197 197 A Y H X S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 5,-0.2 0.927 114.9 50.8 -46.5 -55.5 -3.3 19.2 16.5 198 198 A R H X S+ 0 0 26 -4,-3.1 4,-3.0 -5,-0.2 -2,-0.2 0.924 112.6 42.7 -54.3 -56.0 -2.7 19.9 12.8 199 199 A D H X S+ 0 0 55 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.903 113.7 53.5 -65.8 -38.1 1.1 20.3 13.0 200 200 A N H X S+ 0 0 53 -4,-2.8 4,-3.0 -5,-0.3 -2,-0.2 0.971 113.5 41.7 -56.1 -55.7 1.4 17.3 15.3 201 201 A M H X S+ 0 0 0 -4,-3.0 4,-3.1 2,-0.2 5,-0.3 0.915 112.9 55.3 -60.8 -41.4 -0.6 15.1 12.8 202 202 A A H X>S+ 0 0 9 -4,-3.0 5,-1.9 -5,-0.2 4,-1.9 0.947 111.9 43.2 -52.7 -52.7 1.3 16.7 9.9 203 203 A K H <5S+ 0 0 136 -4,-3.0 3,-0.3 2,-0.2 -2,-0.2 0.945 115.0 49.7 -57.7 -51.7 4.6 15.6 11.5 204 204 A Q H <5S+ 0 0 75 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.886 119.8 36.7 -54.8 -45.0 3.2 12.2 12.4 205 205 A T H <5S- 0 0 7 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.664 103.7-127.6 -81.5 -21.7 1.9 11.6 8.9 206 206 A Q T <5 + 0 0 168 -4,-1.9 2,-0.5 -3,-0.3 -3,-0.2 0.852 59.3 146.9 64.4 41.6 4.9 13.3 7.1 207 207 A I < - 0 0 18 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.936 45.7-132.4-106.5 120.8 2.3 15.5 5.2 208 208 A N - 0 0 97 -2,-0.5 2,-0.1 -3,-0.1 -9,-0.0 -0.437 21.8-116.2 -66.5 144.2 3.5 19.0 4.4 209 209 A L - 0 0 39 -2,-0.1 3,-0.4 1,-0.1 -28,-0.1 -0.427 19.5-125.5 -71.5 158.8 1.1 21.9 5.1 210 210 A L S >> S+ 0 0 0 -30,-0.6 3,-2.1 1,-0.2 4,-1.0 0.291 77.1 116.4 -93.2 10.9 -0.1 23.8 2.0 211 211 A S G >4 S+ 0 0 63 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.874 71.9 57.5 -41.9 -50.6 1.0 27.2 3.5 212 212 A S G 34 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.739 116.4 34.8 -55.0 -30.6 3.6 27.6 0.7 213 213 A M G <4 S+ 0 0 58 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.419 94.1 129.1 -99.5 -7.6 0.7 27.3 -1.9 214 214 A A << 0 0 24 -3,-1.3 -29,-0.2 -4,-1.0 -30,-0.1 -0.243 360.0 360.0 -64.7 140.3 -1.9 29.1 0.3 215 215 A I 0 0 84 -31,-2.3 -30,-0.2 -107,-0.0 -1,-0.1 0.256 360.0 360.0-148.4 360.0 -4.0 32.0 -1.0