==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE/TRANSPORT PROTEIN 19-FEB-12 4DSS . COMPND 2 MOLECULE: PEROXIREDOXIN TYPE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR F.M.LIAN,J.YU,X.X.MA,X.J.YU,Y.CHEN,C.Z.ZHOU . 278 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13944.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 188 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 15.8 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 24 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 22.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.5 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 2 4 1 1 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 2 1 3 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 . 1 0 0 1 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 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 3 A D 0 0 158 0, 0.0 123,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.3 3.8 35.6 12.4 2 4 A L > + 0 0 36 122,-0.1 3,-1.4 150,-0.1 147,-0.3 0.649 360.0 115.3 -89.4 -20.6 5.2 33.4 9.6 3 5 A V T 3 S+ 0 0 39 1,-0.2 147,-0.2 149,-0.2 3,-0.1 -0.212 82.5 9.3 -62.2 140.8 2.1 31.5 8.4 4 6 A N T 3 S+ 0 0 130 145,-3.2 2,-0.3 1,-0.2 -1,-0.2 0.589 108.4 104.8 66.1 15.1 0.8 32.0 4.9 5 7 A K S < S- 0 0 137 -3,-1.4 144,-2.3 144,-0.4 -1,-0.2 -0.864 84.4 -80.0-119.4 157.3 3.8 34.1 3.9 6 8 A K B -A 148 0A 179 -2,-0.3 142,-0.2 142,-0.2 141,-0.1 -0.243 55.7 -98.2 -53.1 134.2 6.9 33.3 1.8 7 9 A F - 0 0 3 140,-2.8 2,-2.3 1,-0.1 3,-0.3 -0.418 35.7-130.7 -53.6 120.2 9.5 31.2 3.6 8 10 A P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 -0.417 52.2 148.7 -81.7 69.9 12.0 33.9 4.7 9 11 A A > + 0 0 9 -2,-2.3 3,-1.8 1,-0.1 28,-0.2 0.869 16.4 158.8 -67.5 -39.1 15.1 32.1 3.4 10 12 A G T 3 S- 0 0 56 -3,-0.3 28,-0.4 1,-0.2 -1,-0.1 -0.155 73.5 -38.4 44.2-136.6 17.0 35.3 2.5 11 13 A D T 3 S+ 0 0 138 26,-0.1 -1,-0.2 27,-0.1 -2,-0.1 0.187 97.9 134.9-102.8 14.7 20.8 34.6 2.3 12 14 A Y < - 0 0 78 -3,-1.8 25,-1.9 24,-0.1 26,-0.5 -0.357 31.6-173.7 -69.9 144.0 20.8 32.1 5.3 13 15 A K E -B 36 0A 101 23,-0.2 2,-0.3 24,-0.1 23,-0.2 -0.939 9.8-157.8-136.0 155.5 22.8 28.9 4.9 14 16 A F E -B 35 0A 0 21,-2.4 21,-3.0 -2,-0.3 2,-0.4 -0.885 11.9-133.8-128.8 164.0 23.3 25.7 6.9 15 17 A Q E +BC 34 114A 43 99,-1.6 99,-2.9 -2,-0.3 2,-0.3 -0.928 27.3 164.0-114.2 144.9 25.9 22.9 7.1 16 18 A Y E -B 33 0A 23 17,-1.9 17,-2.5 -2,-0.4 2,-0.5 -0.985 31.5-128.0-149.3 161.4 25.3 19.2 7.1 17 19 A I - 0 0 7 95,-0.4 95,-0.3 75,-0.3 13,-0.0 -0.958 30.6-125.0-111.6 126.1 27.2 15.9 6.6 18 20 A A - 0 0 18 -2,-0.5 2,-0.3 13,-0.5 12,-0.1 -0.248 20.9-165.4 -61.1 149.9 25.8 13.4 4.2 19 21 A I + 0 0 18 81,-0.0 88,-3.0 11,-0.0 2,-0.3 -0.989 17.7 165.8-132.2 138.0 25.1 9.8 5.3 20 22 A S - 0 0 25 -2,-0.3 86,-0.1 86,-0.3 -2,-0.0 -0.986 43.9-147.5-150.5 160.9 24.4 7.0 2.8 21 23 A Q S S+ 0 0 132 -2,-0.3 4,-0.4 3,-0.1 3,-0.2 0.677 106.4 45.4 -92.3 -26.6 24.1 3.3 2.2 22 24 A S S S+ 0 0 79 2,-0.2 4,-0.4 1,-0.2 -1,-0.1 0.586 108.3 53.1 -99.6 -17.1 25.5 3.6 -1.4 23 25 A D S S+ 0 0 84 2,-0.2 5,-0.5 1,-0.1 -1,-0.2 0.079 104.3 58.1 -99.4 17.8 28.4 5.9 -0.7 24 26 A A S S+ 0 0 50 -3,-0.2 3,-0.3 3,-0.2 -2,-0.2 0.539 96.1 63.6 -93.4 -32.6 29.2 3.3 1.8 25 27 A D S S+ 0 0 129 -4,-0.4 2,-0.6 1,-0.3 -2,-0.2 0.792 110.5 37.6 -55.4 -35.2 29.2 1.2 -1.4 26 28 A S S S- 0 0 71 -4,-0.4 -1,-0.3 2,-0.1 -4,-0.0 -0.906 107.3-133.6-111.4 92.4 32.1 3.4 -2.4 27 29 A E + 0 0 170 -2,-0.6 2,-0.3 -3,-0.3 -3,-0.2 -0.290 45.5 146.7 -54.5 127.7 33.8 3.7 1.0 28 30 A S - 0 0 49 -5,-0.5 2,-0.4 2,-0.0 -2,-0.1 -0.968 48.1-115.6-161.4 148.3 34.6 7.3 1.6 29 31 A a - 0 0 131 -2,-0.3 2,-0.2 1,-0.0 -5,-0.0 -0.819 36.4-131.6 -96.0 134.7 34.8 9.8 4.5 30 32 A K - 0 0 60 -2,-0.4 -13,-0.1 -12,-0.1 -11,-0.0 -0.592 15.8-159.2 -96.5 146.6 32.3 12.6 4.4 31 33 A M - 0 0 147 -2,-0.2 -13,-0.5 1,-0.1 -15,-0.1 -0.823 34.5 -87.3-115.0 156.1 32.8 16.4 4.9 32 34 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -15,-0.2 -0.336 40.8-158.3 -61.9 142.7 30.4 19.2 5.7 33 35 A Q E -B 16 0A 89 -17,-2.5 -17,-1.9 2,-0.0 2,-0.5 -0.934 13.1-128.4-119.2 149.1 28.5 20.8 2.8 34 36 A T E -B 15 0A 84 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.834 23.3-167.3 -98.5 131.4 26.9 24.2 2.8 35 37 A V E -B 14 0A 26 -21,-3.0 -21,-2.4 -2,-0.5 2,-0.6 -0.975 18.3-132.7-120.8 132.0 23.3 24.4 1.7 36 38 A E E >> -B 13 0A 77 -2,-0.4 4,-2.5 -23,-0.2 3,-0.7 -0.734 12.0-142.3 -81.2 122.3 21.4 27.6 0.8 37 39 A W H 3> S+ 0 0 0 -25,-1.9 4,-2.1 -2,-0.6 5,-0.2 0.876 103.2 54.1 -48.5 -42.2 18.0 27.7 2.5 38 40 A S H 3> S+ 0 0 48 -26,-0.5 4,-1.6 -28,-0.4 -1,-0.2 0.854 109.3 46.8 -62.4 -37.7 16.6 29.4 -0.7 39 41 A K H <> S+ 0 0 99 -3,-0.7 4,-1.8 2,-0.2 5,-0.2 0.916 110.8 51.8 -71.4 -44.1 18.0 26.6 -2.9 40 42 A L H X S+ 0 0 8 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.907 112.8 45.8 -55.7 -44.0 16.6 23.8 -0.6 41 43 A I H < S+ 0 0 16 -4,-2.1 106,-0.2 -5,-0.2 -1,-0.2 0.825 113.5 46.9 -73.8 -34.8 13.2 25.4 -0.7 42 44 A S H < S+ 0 0 97 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 113.7 48.7 -79.5 -24.7 13.0 26.0 -4.4 43 45 A E H < S+ 0 0 137 -4,-1.8 2,-0.5 1,-0.2 -2,-0.2 0.729 110.6 55.9 -83.6 -24.4 14.2 22.5 -5.3 44 46 A N < - 0 0 29 -4,-1.2 103,-0.3 -5,-0.2 -1,-0.2 -0.945 63.1-160.9-121.2 119.7 11.8 20.8 -2.9 45 47 A K S S+ 0 0 154 -2,-0.5 101,-3.1 1,-0.2 2,-0.5 0.842 83.9 33.7 -62.5 -39.2 8.0 21.2 -3.1 46 48 A K E S+D 145 0A 35 99,-0.2 36,-2.6 34,-0.1 37,-1.5 -0.968 71.2 173.8-131.0 116.0 7.2 20.0 0.4 47 49 A V E -De 144 83A 0 97,-2.9 97,-2.9 -2,-0.5 2,-0.4 -0.976 16.5-161.7-130.3 131.1 9.6 20.5 3.3 48 50 A I E -De 143 84A 0 35,-2.8 37,-2.7 -2,-0.4 2,-0.4 -0.915 13.2-173.8-106.3 135.5 9.3 19.9 7.0 49 51 A I E +De 142 85A 0 93,-2.4 93,-2.5 -2,-0.4 2,-0.4 -1.000 4.9 178.7-130.2 131.8 11.7 21.7 9.4 50 52 A T E -De 141 86A 0 35,-2.7 37,-3.0 -2,-0.4 2,-0.3 -1.000 13.1-151.5-132.8 134.9 12.0 21.1 13.1 51 53 A G E -De 140 87A 0 89,-1.9 89,-1.6 -2,-0.4 37,-0.2 -0.815 10.5-172.9-103.7 146.5 14.4 22.8 15.5 52 54 A A - 0 0 0 35,-2.3 85,-0.4 -2,-0.3 37,-0.3 -0.990 28.2-124.7-137.9 144.1 15.9 21.3 18.7 53 55 A P S S- 0 0 8 0, 0.0 84,-0.4 0, 0.0 36,-0.3 0.840 84.8 -0.7 -58.9 -41.3 18.0 23.0 21.5 54 56 A A > - 0 0 10 82,-0.1 3,-2.3 34,-0.1 6,-0.2 -0.883 69.8-112.0-160.4 121.9 21.0 20.7 21.6 55 57 A A T 3 S+ 0 0 15 -2,-0.3 40,-0.1 1,-0.3 39,-0.0 -0.237 106.1 13.7 -46.2 133.4 22.3 17.5 19.9 56 58 A F T 3 S+ 0 0 111 1,-0.3 -1,-0.3 39,-0.1 39,-0.0 0.325 90.4 138.1 76.1 -4.9 22.3 14.6 22.3 57 59 A S <> - 0 0 32 -3,-2.3 4,-2.7 1,-0.1 -1,-0.3 -0.451 62.3-114.0 -71.3 150.8 20.2 16.4 25.0 58 60 A P H >>S+ 0 0 46 0, 0.0 4,-3.2 0, 0.0 5,-0.5 0.876 108.7 42.1 -57.8 -53.6 17.5 14.1 26.6 59 61 A T H >>S+ 0 0 7 100,-0.3 4,-1.8 1,-0.2 5,-1.3 0.946 119.0 46.5 -63.0 -46.1 14.2 15.6 25.5 60 62 A S H 4>S+ 0 0 0 3,-0.2 5,-2.3 1,-0.2 4,-0.4 0.917 119.6 40.8 -55.8 -45.9 15.5 16.2 22.0 61 63 A T H <5S+ 0 0 35 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.884 127.5 26.6 -74.8 -43.2 17.0 12.6 21.8 62 64 A V H <5S+ 0 0 85 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.885 132.7 23.3 -90.4 -43.8 14.2 10.6 23.6 63 65 A S T <>> S+ 0 0 30 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.841 96.3 60.9 -55.0 -32.6 12.8 9.8 17.0 67 69 A G H <> S+ 0 0 13 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.901 103.7 48.5 -57.2 -44.7 9.2 10.6 16.0 68 70 A Y H << S+ 0 0 0 -3,-0.8 4,-0.4 -4,-0.7 -1,-0.2 0.899 114.8 44.9 -63.2 -41.3 10.4 12.2 12.8 69 71 A I H >< S+ 0 0 34 -4,-1.7 3,-1.3 2,-0.2 4,-0.4 0.942 112.2 52.8 -65.2 -49.4 12.7 9.3 12.0 70 72 A N H 3< S+ 0 0 129 -4,-3.5 3,-0.3 1,-0.3 4,-0.2 0.876 117.1 37.3 -51.8 -43.9 9.9 6.8 12.9 71 73 A Y T 3X S+ 0 0 78 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.392 87.8 104.5 -91.2 1.2 7.4 8.5 10.5 72 74 A L H <> S+ 0 0 24 -3,-1.3 4,-2.4 -4,-0.4 5,-0.3 0.906 79.5 46.8 -54.9 -53.3 9.9 9.3 7.8 73 75 A D H > S+ 0 0 110 -4,-0.4 4,-2.3 -3,-0.3 5,-0.4 0.899 113.7 50.1 -57.4 -41.6 8.9 6.6 5.3 74 76 A E H >>S+ 0 0 76 -4,-0.2 4,-2.1 1,-0.2 5,-1.3 0.889 110.7 50.9 -60.7 -40.6 5.3 7.5 5.8 75 77 A L H <5S+ 0 0 0 -4,-2.4 6,-3.0 3,-0.2 4,-0.3 0.904 114.7 40.8 -65.4 -45.6 6.1 11.2 5.2 76 78 A V H <5S+ 0 0 34 -4,-2.4 -2,-0.2 4,-0.2 -1,-0.2 0.896 126.5 31.8 -70.4 -42.8 8.0 10.6 1.9 77 79 A K H <5S+ 0 0 162 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.892 131.6 23.8 -88.8 -43.0 5.7 8.0 0.4 78 80 A E T <5S+ 0 0 135 -4,-2.1 -3,-0.2 -5,-0.4 -2,-0.1 0.785 130.8 35.1 -98.9 -32.0 2.2 8.8 1.7 79 81 A K S - 0 0 89 1,-0.1 4,-2.1 23,-0.1 5,-0.2 -0.211 39.3-113.6 -59.3 151.6 28.7 21.7 14.8 92 94 A P H > S+ 0 0 19 0, 0.0 4,-1.7 0, 0.0 -75,-0.3 0.760 113.6 56.5 -66.6 -24.1 28.0 19.4 11.8 93 95 A F H > S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.929 109.4 45.6 -69.5 -45.1 30.2 16.6 13.1 94 96 A A H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.911 112.3 52.2 -63.5 -40.5 28.3 16.4 16.4 95 97 A N H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.880 109.5 49.0 -60.5 -40.8 24.9 16.5 14.4 96 98 A Q H X S+ 0 0 33 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.904 111.6 48.3 -67.5 -42.7 26.0 13.7 12.1 97 99 A A H X S+ 0 0 48 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.899 112.3 50.5 -62.3 -40.7 27.0 11.5 15.1 98 100 A W H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.953 109.5 49.9 -59.5 -51.3 23.7 12.4 16.7 99 101 A A H <>S+ 0 0 1 -4,-2.8 5,-2.4 1,-0.2 3,-0.4 0.914 111.9 48.4 -53.9 -47.0 21.8 11.4 13.6 100 102 A K H ><5S+ 0 0 116 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.881 108.5 52.8 -61.7 -42.1 23.7 8.1 13.4 101 103 A S H 3<5S+ 0 0 75 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.5 54.0 -65.7 -23.8 23.0 7.3 17.1 102 104 A L T 3<5S- 0 0 33 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.445 127.1-100.5 -89.5 -3.1 19.3 7.9 16.3 103 105 A G T < 5 + 0 0 39 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.550 64.2 157.9 96.8 11.5 19.4 5.3 13.5 104 106 A V < + 0 0 10 -5,-2.4 -1,-0.3 -6,-0.2 3,-0.1 -0.552 8.5 170.4 -68.7 125.4 19.7 7.6 10.4 105 107 A K + 0 0 148 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.558 63.6 26.2-110.8 -17.9 21.1 5.5 7.6 106 108 A D - 0 0 42 -86,-0.1 3,-0.4 -85,-0.1 4,-0.4 -0.972 53.0-156.5-156.2 132.4 20.6 7.9 4.7 107 109 A T + 0 0 10 -88,-3.0 -87,-0.1 -2,-0.3 -1,-0.0 0.181 65.5 106.9 -99.3 17.3 20.4 11.7 4.3 108 110 A T S S+ 0 0 76 -89,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.911 102.5 11.0 -57.7 -44.2 18.4 11.7 0.9 109 111 A H S S+ 0 0 70 -3,-0.4 -25,-2.4 1,-0.2 2,-0.4 0.514 130.1 52.4-116.3 -12.7 15.2 12.8 2.7 110 112 A I E + f 0 84A 3 -4,-0.4 2,-0.4 -27,-0.2 -25,-0.2 -0.993 60.5 177.8-131.1 127.0 16.4 13.7 6.2 111 113 A K E - f 0 85A 22 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.8 -0.991 25.1-141.5-130.3 132.0 19.3 16.1 7.0 112 114 A F E - f 0 86A 10 -2,-0.4 -95,-0.4 -95,-0.3 2,-0.3 -0.842 31.6-157.9 -92.8 108.9 20.6 17.3 10.3 113 115 A A E - f 0 87A 0 -27,-2.6 -25,-2.4 -2,-0.8 2,-0.6 -0.684 13.8-144.1 -97.8 137.5 21.4 21.0 9.7 114 116 A S E -Cf 15 88A 3 -99,-2.9 -99,-1.6 -2,-0.3 -25,-0.2 -0.905 8.1-165.1 -94.0 123.9 23.8 23.2 11.7 115 117 A D > - 0 0 2 -27,-3.0 3,-2.3 -2,-0.6 -101,-0.1 -0.863 25.0-139.9-105.4 89.5 22.6 26.8 12.0 116 118 A P G > S- 0 0 65 0, 0.0 3,-1.3 0, 0.0 4,-0.2 -0.321 79.1 -1.2 -67.8 132.2 25.8 28.4 13.0 117 119 A G G 3 S- 0 0 67 -28,-0.4 -28,-0.1 1,-0.2 5,-0.1 0.617 114.2 -87.4 65.5 14.9 25.4 31.1 15.7 118 120 A C G <> S+ 0 0 0 -3,-2.3 4,-3.1 -30,-0.1 5,-0.3 0.735 83.8 150.2 60.8 22.3 21.6 30.5 15.6 119 121 A A H <> + 0 0 43 -3,-1.3 4,-1.4 1,-0.2 -2,-0.1 0.916 69.8 35.5 -55.2 -51.7 21.5 33.1 12.8 120 122 A F H > S+ 0 0 0 2,-0.2 4,-1.1 -107,-0.2 -1,-0.2 0.919 117.9 51.6 -71.5 -42.7 18.5 31.6 10.9 121 123 A T H 4>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 3,-0.5 0.896 110.6 48.9 -63.8 -39.9 16.6 30.5 14.0 122 124 A K H ><5S+ 0 0 87 -4,-3.1 3,-1.1 1,-0.2 -1,-0.2 0.848 103.5 61.8 -65.2 -33.6 16.9 33.9 15.6 123 125 A S H 3<5S+ 0 0 55 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.789 108.6 41.9 -64.8 -28.0 15.7 35.6 12.3 124 126 A I T 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.339 116.4-113.6-100.0 4.6 12.3 33.7 12.7 125 127 A G T < 5S+ 0 0 37 -3,-1.1 -3,-0.2 -4,-0.2 -2,-0.1 0.651 84.0 117.9 78.0 17.2 12.1 34.3 16.5 126 128 A F < + 0 0 22 -5,-2.1 12,-2.6 -6,-0.2 -4,-0.2 0.080 42.1 120.6-105.1 22.8 12.5 30.7 17.4 127 129 A E E -H 137 0B 66 -6,-0.3 2,-0.4 10,-0.2 10,-0.2 -0.343 52.9-141.9 -81.8 164.9 15.7 31.0 19.4 128 130 A L E -H 136 0B 51 8,-3.0 8,-2.7 10,-0.1 2,-0.3 -0.970 13.2-140.2-128.0 114.5 16.4 30.1 23.0 129 131 A A E +H 135 0B 64 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.573 21.2 177.7 -67.8 131.1 18.7 32.4 25.1 130 132 A V E - 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G 0 141A 20 -12,-1.9 -12,-2.1 -2,-0.3 2,-0.4 -0.977 22.0-153.2-160.5 147.1 5.0 27.0 16.0 154 156 A K E - G 0 140A 92 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.1 -0.948 28.4-107.0-126.1 141.8 7.5 27.0 18.9 155 157 A E - 0 0 4 -16,-3.2 -16,-0.2 -2,-0.4 4,-0.1 -0.399 13.1-147.5 -62.5 141.4 7.3 25.4 22.3 156 158 A T S S+ 0 0 122 1,-0.2 -1,-0.1 -2,-0.1 0, 0.0 0.853 103.3 29.1 -70.9 -39.2 6.7 27.8 25.3 157 159 A N S >> S+ 0 0 79 1,-0.1 4,-2.6 -18,-0.0 3,-1.7 -0.667 75.8 172.8-122.4 73.4 8.8 25.4 27.4 158 160 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.771 71.4 62.4 -61.5 -28.3 11.3 23.8 24.9 159 161 A G T 34 S+ 0 0 42 1,-0.2 -100,-0.3 75,-0.1 -99,-0.1 0.738 122.9 15.9 -69.1 -23.7 13.4 22.0 27.4 160 162 A T T <4 S+ 0 0 27 -3,-1.7 2,-0.4 1,-0.1 -1,-0.2 0.684 109.0 78.6-118.9 -32.5 10.5 19.9 28.6 161 163 A D < + 0 0 43 -4,-2.6 2,-0.5 -22,-0.0 -6,-0.1 -0.729 37.0 179.9-102.4 133.1 7.6 20.0 26.1 162 164 A V + 0 0 47 -2,-0.4 -22,-0.0 2,-0.1 -3,-0.0 -0.847 49.4 110.9-119.5 90.1 7.1 18.2 22.8 163 165 A T S > S+ 0 0 69 -2,-0.5 3,-1.4 3,-0.1 6,-0.4 0.556 81.4 18.6-121.8 -87.0 3.7 19.5 21.7 164 166 A V T 3 S+ 0 0 48 1,-0.3 -11,-0.1 -25,-0.1 -24,-0.1 0.698 127.7 54.2 -65.3 -21.9 3.4 21.9 18.7 165 167 A S T 3 S+ 0 0 0 -25,-0.1 -1,-0.3 -26,-0.1 -25,-0.2 0.457 85.1 112.6 -91.2 -4.2 6.9 20.7 17.6 166 168 A S S <> S- 0 0 10 -3,-1.4 4,-1.9 1,-0.1 3,-0.1 -0.303 77.8-121.9 -69.7 153.7 6.0 17.0 17.6 167 169 A V H > S+ 0 0 1 -103,-0.3 4,-3.3 1,-0.2 5,-0.2 0.848 115.0 60.8 -60.9 -32.0 5.8 15.0 14.3 168 170 A E H > S+ 0 0 104 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.915 104.1 47.9 -62.1 -43.0 2.1 14.3 15.3 169 171 A S H > S+ 0 0 35 -6,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.922 113.5 48.4 -60.4 -45.2 1.4 18.0 15.2 170 172 A V H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.943 104.8 57.8 -61.5 -50.2 3.1 18.3 11.8 171 173 A L H >< S+ 0 0 34 -4,-3.3 3,-1.7 1,-0.3 -1,-0.2 0.851 101.4 57.3 -48.5 -41.6 1.2 15.3 10.3 172 174 A A H 3< S+ 0 0 82 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.747 104.6 52.0 -62.4 -26.4 -2.1 17.1 11.1 173 175 A H T << 0 0 92 -3,-1.8 -1,-0.3 -4,-0.7 -2,-0.2 0.185 360.0 360.0 -97.5 16.2 -0.9 20.0 9.0 174 176 A L < 0 0 50 -3,-1.7 -2,-0.2 -4,-0.1 -1,-0.1 0.721 360.0 360.0-105.9 360.0 -0.1 17.8 6.0 175 !* 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 0.0 176 1 B M 0 0 157 0, 0.0 2,-0.6 0, 0.0 52,-0.4 0.000 360.0 360.0 360.0 139.3 0.5 9.1 47.4 177 2 B V - 0 0 8 50,-0.1 2,-0.4 52,-0.0 52,-0.3 -0.922 360.0-140.2-104.2 117.1 3.6 11.1 46.3 178 3 B T E -i 229 0C 77 50,-2.0 52,-2.0 -2,-0.6 2,-0.3 -0.647 11.2-130.1 -86.6 125.8 2.7 14.8 45.7 179 4 B Q E -i 230 0C 56 -2,-0.4 2,-0.6 50,-0.2 52,-0.2 -0.571 12.0-144.9 -75.0 130.9 4.3 16.6 42.8 180 5 B L E -i 231 0C 6 50,-3.2 52,-0.5 -2,-0.3 56,-0.1 -0.881 17.5-178.7 -96.5 117.7 5.9 19.9 43.5 181 6 B K + 0 0 133 -2,-0.6 2,-0.3 50,-0.1 -1,-0.1 0.434 59.3 16.1 -99.6 -3.2 5.4 22.2 40.5 182 7 B S S > S- 0 0 39 1,-0.1 4,-2.0 54,-0.1 5,-0.1 -0.969 79.8 -95.7-160.7 170.9 7.2 25.4 41.7 183 8 B A H > S+ 0 0 49 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.914 119.9 52.6 -61.9 -44.8 9.7 27.0 44.2 184 9 B S H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 109.7 49.1 -63.2 -35.7 7.0 28.2 46.6 185 10 B E H > S+ 0 0 80 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.896 113.1 47.6 -67.8 -42.1 5.5 24.6 46.7 186 11 B Y H X S+ 0 0 25 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.926 111.6 50.5 -61.2 -48.1 8.9 23.2 47.4 187 12 B D H X S+ 0 0 91 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.885 112.1 45.4 -62.6 -41.6 9.7 25.7 50.1 188 13 B S H < S+ 0 0 83 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.719 108.2 57.4 -79.0 -20.2 6.4 25.2 52.0 189 14 B A H >< S+ 0 0 6 -4,-1.3 3,-0.7 1,-0.2 -2,-0.2 0.934 111.2 43.8 -64.4 -47.5 6.8 21.4 51.8 190 15 B L H 3< S+ 0 0 18 -4,-2.2 3,-0.4 1,-0.3 67,-0.4 0.769 100.0 73.2 -65.5 -27.4 10.1 21.9 53.6 191 16 B A T 3< + 0 0 78 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.1 -0.002 68.6 103.0 -81.5 31.5 8.4 24.4 56.0 192 17 B S S < S- 0 0 64 -3,-0.7 -1,-0.2 -2,-0.2 -2,-0.1 0.987 71.9-142.5 -71.6 -71.4 6.6 21.4 57.7 193 18 B G - 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