==== 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 19-FEB-12 4DSQ . 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 . 696 4 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30203.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 419 60.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 17.5 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 33 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 8 8 4 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 8 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 . 9 0 0 8 0 8 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 . 4 0 0 0 0 0 4 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 0 160 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.2 -14.4 -8.4 0.3 2 4 A L > + 0 0 33 150,-0.1 3,-1.8 122,-0.1 147,-0.3 0.728 360.0 112.9 -96.5 -27.6 -12.0 -5.4 0.6 3 5 A V T 3 S+ 0 0 46 1,-0.3 147,-0.2 149,-0.2 3,-0.1 -0.236 85.2 9.2 -61.7 132.6 -9.4 -6.5 -2.0 4 6 A N T 3 S+ 0 0 126 145,-3.7 2,-0.3 1,-0.3 -1,-0.3 0.503 106.8 109.7 75.0 8.7 -9.2 -4.4 -5.1 5 7 A K S < S- 0 0 124 -3,-1.8 144,-1.9 144,-0.3 -1,-0.3 -0.882 82.0 -89.1-114.5 147.9 -11.5 -1.8 -3.7 6 8 A K B -A 148 0A 172 -2,-0.3 142,-0.3 142,-0.2 -1,-0.1 -0.179 56.8 -90.1 -52.8 146.5 -10.6 1.7 -2.6 7 9 A F - 0 0 16 140,-1.8 2,-2.0 1,-0.1 3,-0.2 -0.446 38.3-130.9 -59.1 121.5 -9.5 1.8 1.0 8 10 A P + 0 0 52 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 -0.524 46.4 155.6 -81.7 76.4 -12.7 2.5 3.0 9 11 A A > + 0 0 11 -2,-2.0 3,-1.6 1,-0.2 28,-0.2 0.862 12.9 167.6 -68.6 -39.6 -11.4 5.4 5.1 10 12 A G T 3 S- 0 0 50 1,-0.3 28,-0.2 -3,-0.2 -1,-0.2 -0.326 72.0 -48.2 54.7-138.3 -14.8 7.0 5.7 11 13 A D T 3 S+ 0 0 148 26,-0.1 -1,-0.3 27,-0.1 -2,-0.1 0.211 97.8 138.7-103.7 10.9 -14.4 9.7 8.5 12 14 A Y < - 0 0 87 -3,-1.6 25,-2.2 24,-0.1 26,-0.4 -0.251 30.7-172.3 -62.2 137.5 -12.5 7.2 10.7 13 15 A K E -B 36 0A 89 23,-0.2 2,-0.3 24,-0.1 23,-0.2 -0.930 9.4-156.4-131.2 160.9 -9.5 8.6 12.5 14 16 A F E -B 35 0A 0 21,-2.9 21,-2.9 -2,-0.3 2,-0.4 -0.833 7.7-139.6-128.0 163.9 -6.7 7.3 14.6 15 17 A Q E +BC 34 114A 52 99,-1.5 99,-2.6 -2,-0.3 2,-0.3 -0.973 24.5 157.8-127.4 145.6 -4.3 8.6 17.3 16 18 A Y E -B 33 0A 21 17,-1.5 17,-2.6 -2,-0.4 2,-0.4 -0.972 31.1-129.4-152.3 161.2 -0.6 8.0 17.9 17 19 A I - 0 0 5 75,-0.4 95,-0.3 95,-0.4 2,-0.1 -0.954 30.1-119.6-115.7 143.4 2.4 9.6 19.6 18 20 A A - 0 0 18 -2,-0.4 2,-0.4 93,-0.1 93,-0.1 -0.417 18.7-160.9 -78.3 151.7 5.7 10.2 17.8 19 21 A I + 0 0 2 -2,-0.1 88,-2.3 9,-0.0 2,-0.2 -0.994 26.6 147.8-124.8 137.6 9.0 8.7 18.9 20 22 A S > - 0 0 39 -2,-0.4 4,-1.1 86,-0.2 86,-0.0 -0.743 53.9 -44.7-147.4-162.6 12.2 10.3 17.6 21 23 A Q T 4 S+ 0 0 192 -2,-0.2 3,-0.4 2,-0.2 4,-0.3 0.857 125.4 26.8 -34.8 -70.0 15.9 11.1 18.3 22 24 A S T >4 S+ 0 0 99 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 0.965 124.9 42.7 -69.0 -58.4 15.8 12.5 21.8 23 25 A D G >4 S+ 0 0 7 1,-0.2 3,-0.7 2,-0.1 -1,-0.2 0.415 85.5 99.3 -75.0 2.6 12.8 10.8 23.4 24 26 A A G 3< S+ 0 0 8 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.879 99.6 20.9 -57.5 -40.8 13.6 7.3 21.9 25 27 A D G < S+ 0 0 128 -3,-0.8 -1,-0.2 -4,-0.3 2,-0.2 0.133 126.9 51.5-116.5 14.2 15.3 6.0 25.1 26 28 A S S < S- 0 0 66 -3,-0.7 2,-0.5 -4,-0.1 -3,-0.0 -0.571 95.8 -68.1-133.1-163.4 13.7 8.4 27.6 27 29 A E - 0 0 120 -2,-0.2 2,-0.2 2,-0.0 -3,-0.1 -0.856 42.8-146.6-103.3 123.7 10.2 9.7 28.6 28 30 A S - 0 0 16 -2,-0.5 2,-0.4 -5,-0.2 207,-0.4 -0.527 11.7-155.4 -84.8 148.5 8.2 11.9 26.3 29 31 A a + 0 0 42 -2,-0.2 2,-0.4 205,-0.1 -1,-0.0 -0.795 51.0 135.3-113.3 80.0 5.9 14.7 27.3 30 32 A K - 0 0 58 -2,-0.4 -2,-0.1 351,-0.1 350,-0.0 -0.996 47.0-141.2-136.4 135.6 3.9 14.5 24.1 31 33 A M - 0 0 29 -2,-0.4 349,-0.1 1,-0.1 -15,-0.1 -0.545 39.5 -87.8 -89.9 159.3 0.2 14.6 23.5 32 34 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -15,-0.2 -0.360 32.5-138.7 -68.8 145.6 -1.5 12.4 20.8 33 35 A Q E -B 16 0A 79 -17,-2.6 -17,-1.5 -2,-0.0 2,-0.5 -0.826 14.0-139.0 -95.0 143.8 -1.9 13.5 17.2 34 36 A T E -B 15 0A 83 -2,-0.4 2,-0.4 -19,-0.2 -19,-0.2 -0.903 22.9-177.5-104.2 132.5 -5.1 12.7 15.5 35 37 A V E -B 14 0A 22 -21,-2.9 -21,-2.9 -2,-0.5 2,-0.3 -0.997 23.0-131.2-132.4 132.2 -4.9 11.6 11.9 36 38 A E E > -B 13 0A 92 -2,-0.4 4,-2.1 -23,-0.2 3,-0.3 -0.636 16.8-133.5 -77.6 135.8 -7.7 10.7 9.5 37 39 A W H > S+ 0 0 0 -25,-2.2 4,-2.4 -2,-0.3 5,-0.2 0.885 107.4 56.8 -52.8 -41.3 -7.3 7.4 7.7 38 40 A S H > S+ 0 0 46 -26,-0.4 4,-2.3 -28,-0.2 -1,-0.2 0.888 108.0 46.9 -61.0 -38.2 -8.2 9.2 4.4 39 41 A K H > S+ 0 0 111 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.936 111.0 50.8 -66.9 -48.1 -5.3 11.7 4.9 40 42 A L H X S+ 0 0 11 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.932 116.2 42.2 -54.8 -47.7 -2.8 9.0 5.7 41 43 A I H < S+ 0 0 16 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.835 112.3 53.2 -70.4 -36.9 -3.8 7.0 2.6 42 44 A S H < S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.873 113.4 44.3 -64.0 -37.3 -4.0 10.1 0.4 43 45 A E H < S+ 0 0 124 -4,-2.4 2,-0.4 1,-0.1 -1,-0.2 0.561 110.2 57.3 -88.2 -11.1 -0.4 11.2 1.4 44 46 A N < - 0 0 27 -4,-0.8 103,-0.3 -3,-0.2 3,-0.1 -0.969 58.3-162.4-129.9 121.2 1.3 7.7 1.1 45 47 A K S S+ 0 0 130 -2,-0.4 101,-3.0 1,-0.2 2,-0.4 0.731 85.8 36.0 -69.5 -26.7 1.4 5.5 -2.0 46 48 A K E S+D 145 0A 25 99,-0.2 36,-2.4 100,-0.1 37,-1.3 -0.948 72.1 167.3-137.0 113.6 2.3 2.3 -0.2 47 49 A V E -De 144 83A 0 97,-2.4 97,-2.9 -2,-0.4 2,-0.4 -0.982 20.7-159.1-132.4 133.5 1.0 1.6 3.3 48 50 A I E -De 143 84A 0 35,-3.0 37,-2.9 -2,-0.4 2,-0.4 -0.946 12.7-172.6-105.5 134.6 0.9 -1.5 5.5 49 51 A I E +De 142 85A 0 93,-2.5 93,-2.6 -2,-0.4 2,-0.4 -0.995 4.4 179.5-126.3 131.9 -1.7 -1.7 8.3 50 52 A T E -De 141 86A 0 35,-2.8 37,-3.3 -2,-0.4 2,-0.3 -0.992 15.5-145.2-140.2 129.9 -1.7 -4.5 10.9 51 53 A G E -De 140 87A 0 89,-1.4 89,-1.0 -2,-0.4 37,-0.2 -0.628 12.8-171.8 -92.6 146.8 -4.1 -5.1 13.8 52 54 A A - 0 0 2 35,-2.6 85,-0.4 -2,-0.3 37,-0.3 -0.997 24.7-133.1-138.4 141.8 -3.0 -6.5 17.1 53 55 A P S S+ 0 0 13 0, 0.0 84,-0.3 0, 0.0 2,-0.3 0.811 82.0 7.4 -62.3 -34.5 -5.3 -7.6 20.0 54 56 A A > - 0 0 1 82,-0.1 3,-1.8 34,-0.1 2,-0.0 -0.871 63.8-123.2-162.6 118.6 -3.5 -5.9 22.9 55 57 A A T 3 S+ 0 0 0 -2,-0.3 214,-0.3 1,-0.3 40,-0.1 -0.378 103.4 21.9 -55.6 134.3 -0.6 -3.6 23.7 56 58 A F T 3 S+ 0 0 35 1,-0.2 -1,-0.3 39,-0.1 3,-0.1 0.628 78.1 175.9 69.7 18.9 1.9 -5.5 26.0 57 59 A S < - 0 0 26 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.0 -0.294 49.1 -90.1 -34.2 129.8 0.7 -8.9 25.1 58 60 A P > - 0 0 12 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.209 28.2-125.6 -57.8 144.4 3.2 -11.1 27.0 59 61 A T T 3 S+ 0 0 97 144,-0.3 145,-0.1 1,-0.3 4,-0.1 0.727 107.1 68.8 -64.4 -20.9 6.4 -12.0 25.1 60 62 A b T 3 S+ 0 0 71 143,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.690 91.5 74.0 -72.2 -21.9 5.6 -15.7 25.8 61 63 A T S < S- 0 0 46 -3,-1.6 99,-0.1 1,-0.1 98,-0.0 -0.583 98.0 -85.4 -88.9 156.9 2.6 -15.5 23.5 62 64 A V + 0 0 56 97,-0.4 2,-0.3 -2,-0.2 -1,-0.1 -0.265 48.6 173.5 -63.2 142.9 2.7 -15.4 19.7 63 65 A S - 0 0 42 -4,-0.1 4,-0.3 97,-0.1 99,-0.1 -0.961 32.5-162.8-154.1 135.0 3.0 -12.0 18.0 64 66 A H S > S+ 0 0 9 -2,-0.3 4,-1.2 1,-0.2 103,-0.3 0.588 82.0 81.8 -89.7 -9.9 3.4 -10.8 14.4 65 67 A I H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 3,-0.2 0.896 82.1 55.8 -68.5 -43.7 4.6 -7.4 15.5 66 68 A P H > S+ 0 0 53 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.907 104.0 58.8 -56.3 -36.5 8.2 -8.1 16.3 67 69 A G H > S+ 0 0 19 -4,-0.3 4,-2.7 1,-0.2 -2,-0.2 0.906 104.0 49.5 -55.7 -48.2 8.5 -9.4 12.7 68 70 A Y H < S+ 0 0 0 -4,-1.2 4,-0.3 2,-0.2 -1,-0.2 0.873 112.6 47.6 -60.7 -38.7 7.4 -6.0 11.3 69 71 A I H >< S+ 0 0 33 -4,-1.9 3,-1.4 2,-0.2 4,-0.3 0.958 112.3 48.3 -67.5 -51.9 10.0 -4.2 13.5 70 72 A N H 3< S+ 0 0 136 -4,-3.2 3,-0.4 1,-0.2 4,-0.2 0.915 117.7 42.9 -49.6 -45.2 12.8 -6.6 12.5 71 73 A Y T 3X S+ 0 0 81 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.369 82.2 104.8 -87.3 4.9 11.9 -6.2 8.8 72 74 A L H <> S+ 0 0 32 -3,-1.4 4,-2.7 -4,-0.3 5,-0.3 0.863 76.7 53.5 -59.4 -43.8 11.3 -2.4 8.8 73 75 A D H > S+ 0 0 106 -3,-0.4 4,-3.6 -4,-0.3 5,-0.5 0.950 111.9 44.7 -52.3 -55.9 14.6 -1.4 7.0 74 76 A E H >>S+ 0 0 74 -4,-0.2 5,-2.4 1,-0.2 4,-1.2 0.868 113.7 51.8 -57.5 -40.8 13.9 -3.8 4.1 75 77 A L H <5S+ 0 0 0 -4,-2.2 6,-3.2 3,-0.2 -1,-0.2 0.904 119.9 33.4 -61.2 -46.0 10.2 -2.6 3.9 76 78 A V H <5S+ 0 0 35 -4,-2.7 4,-0.2 4,-0.2 -2,-0.2 0.881 129.0 34.5 -80.8 -40.6 11.2 1.1 3.8 77 79 A K H <5S+ 0 0 140 -4,-3.6 -3,-0.2 -5,-0.3 -2,-0.2 0.945 133.1 18.6 -83.4 -54.0 14.5 0.7 1.8 78 80 A E T <5S+ 0 0 142 -4,-1.2 -3,-0.2 -5,-0.5 -4,-0.1 0.856 131.3 40.4 -89.5 -36.9 14.0 -2.1 -0.6 79 81 A K S - 0 0 5 1,-0.1 4,-2.3 -2,-0.1 3,-0.4 -0.183 38.5-116.9 -58.0 145.0 -4.9 4.3 24.5 92 94 A P H > S+ 0 0 1 0, 0.0 4,-1.9 0, 0.0 -75,-0.4 0.758 113.2 55.7 -59.6 -29.3 -2.1 6.1 22.4 93 95 A F H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.909 110.1 45.1 -66.5 -46.5 0.2 6.5 25.5 94 96 A A H > S+ 0 0 0 -3,-0.4 4,-2.4 136,-0.3 -1,-0.2 0.889 111.9 53.4 -64.4 -38.8 0.1 2.8 26.1 95 97 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.900 110.1 46.9 -63.2 -41.1 0.7 2.1 22.5 96 98 A Q H X S+ 0 0 16 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.910 111.7 49.5 -64.5 -46.9 3.7 4.4 22.4 97 99 A A H X S+ 0 0 19 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.909 111.4 51.6 -58.8 -43.0 5.2 2.8 25.5 98 100 A W H X S+ 0 0 11 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.938 107.1 51.7 -58.9 -51.8 4.6 -0.5 24.0 99 101 A A H >X>S+ 0 0 1 -4,-2.4 5,-2.3 1,-0.2 3,-0.5 0.908 110.6 48.8 -50.2 -49.5 6.4 0.5 20.7 100 102 A K H ><5S+ 0 0 39 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.864 107.3 54.6 -60.7 -40.4 9.5 1.7 22.7 101 103 A S H 3<5S+ 0 0 76 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.791 107.3 52.2 -64.1 -25.7 9.6 -1.6 24.7 102 104 A L H <<5S- 0 0 55 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.568 128.8 -95.8 -89.3 -6.7 9.7 -3.4 21.4 103 105 A G T <<5 + 0 0 35 -3,-1.0 2,-0.5 -4,-0.5 -3,-0.2 0.543 69.4 150.8 107.9 11.3 12.6 -1.3 20.1 104 106 A V < + 0 0 8 -5,-2.3 -1,-0.3 1,-0.2 3,-0.1 -0.647 7.8 163.6 -77.2 124.3 11.0 1.5 18.1 105 107 A K + 0 0 102 -2,-0.5 2,-0.3 1,-0.3 -81,-0.2 0.403 66.5 37.3-114.6 -3.9 13.2 4.6 18.2 106 108 A D - 0 0 82 -82,-0.1 3,-0.4 -86,-0.0 -1,-0.3 -0.905 51.8-168.5-159.5 118.9 11.7 6.4 15.2 107 109 A T + 0 0 10 -88,-2.3 -87,-0.1 -2,-0.3 -1,-0.0 0.155 58.8 111.4 -97.7 16.6 8.1 6.7 14.1 108 110 A T S S+ 0 0 72 1,-0.2 -1,-0.2 -89,-0.2 3,-0.1 0.929 100.5 11.1 -53.5 -46.1 8.9 8.2 10.7 109 111 A H S S+ 0 0 64 -3,-0.4 -25,-2.4 1,-0.2 2,-0.4 0.359 129.6 53.5-116.5 -0.4 7.7 5.1 8.9 110 112 A I E + f 0 84A 2 -27,-0.2 2,-0.4 -4,-0.2 -25,-0.2 -0.978 60.4 179.8-141.0 124.6 6.1 3.1 11.7 111 113 A K E - f 0 85A 22 -27,-2.5 -25,-2.6 -2,-0.4 2,-0.9 -0.976 24.4-141.0-128.2 140.3 3.3 4.3 13.9 112 114 A F E - f 0 86A 6 -2,-0.4 -95,-0.4 -95,-0.3 -25,-0.2 -0.827 33.9-163.8-100.2 97.0 1.4 2.6 16.8 113 115 A A E - f 0 87A 0 -27,-1.9 -25,-2.2 -2,-0.9 2,-0.5 -0.441 18.8-140.1 -85.4 148.7 -2.2 3.8 16.4 114 116 A S E -Cf 15 88A 4 -99,-2.6 -99,-1.5 -27,-0.2 -25,-0.2 -0.940 6.1-163.0 -95.1 129.4 -5.3 3.7 18.6 115 117 A D > - 0 0 1 -27,-2.7 3,-2.4 -2,-0.5 4,-0.1 -0.838 29.9-135.3-104.5 87.8 -8.5 2.9 16.9 116 118 A P G > S- 0 0 38 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.181 80.7 -3.0 -59.4 131.9 -10.7 4.2 19.7 117 119 A G G 3 S- 0 0 39 -28,-0.4 -28,-0.1 1,-0.3 5,-0.1 0.632 114.5 -85.7 62.7 18.0 -13.6 1.9 20.6 118 120 A C G <> S+ 0 0 0 -3,-2.4 4,-3.6 -30,-0.1 5,-0.3 0.628 86.2 147.3 59.7 17.6 -12.4 -0.4 17.7 119 121 A A H <> + 0 0 37 -3,-1.5 4,-1.7 1,-0.2 -2,-0.1 0.904 68.8 37.7 -54.2 -54.4 -14.5 1.7 15.4 120 122 A F H > S+ 0 0 0 -107,-0.2 4,-1.1 -4,-0.2 -1,-0.2 0.939 118.9 49.9 -62.5 -43.2 -12.4 1.4 12.2 121 123 A T H >4>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 3,-0.6 0.904 109.9 50.0 -64.9 -43.4 -11.5 -2.2 12.9 122 124 A K H ><5S+ 0 0 100 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.873 104.0 62.4 -57.1 -36.6 -15.2 -3.1 13.4 123 125 A S H 3<5S+ 0 0 52 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.786 107.7 40.2 -67.7 -29.0 -16.0 -1.4 10.1 124 126 A I T <<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.256 115.1-112.6-101.5 11.9 -13.9 -3.8 8.0 125 127 A G T < 5S+ 0 0 38 -3,-1.6 -3,-0.2 -4,-0.2 -2,-0.1 0.717 83.6 118.9 68.5 24.3 -14.9 -6.9 10.0 126 128 A F < + 0 0 23 -5,-2.1 12,-2.2 -6,-0.2 -4,-0.2 0.151 41.7 121.3-109.0 21.2 -11.5 -7.5 11.6 127 129 A E E -H 137 0B 66 -6,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.234 55.2-135.2 -81.0 168.8 -12.5 -7.1 15.2 128 130 A L E -H 136 0B 49 8,-3.5 8,-2.6 10,-0.1 2,-0.3 -0.927 14.0-141.0-131.0 107.2 -12.2 -9.6 18.1 129 131 A A E +H 135 0B 70 -2,-0.4 6,-0.2 6,-0.2 3,-0.1 -0.505 24.0 173.3 -67.2 124.0 -15.1 -10.0 20.5 130 132 A V E - 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0 0 5 -2,-0.1 4,-2.2 1,-0.1 3,-0.5 -0.171 38.3-115.3 -57.0 145.5 9.4 38.4 28.6 617 94 D P H > S+ 0 0 1 0, 0.0 4,-2.0 0, 0.0 -75,-0.4 0.796 112.3 55.4 -58.4 -31.5 8.0 40.4 31.6 618 95 D F H > S+ 0 0 24 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 110.6 44.7 -68.1 -42.7 4.5 41.0 30.0 619 96 D A H > S+ 0 0 0 -3,-0.5 4,-2.6 -214,-0.3 -1,-0.2 0.886 111.5 54.5 -68.1 -37.6 4.0 37.3 29.5 620 97 D N H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.896 110.9 45.4 -62.6 -39.1 5.2 36.6 33.0 621 98 D Q H X S+ 0 0 15 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.937 111.4 50.0 -69.2 -52.9 2.7 39.0 34.5 622 99 D A H X S+ 0 0 20 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.922 112.2 51.7 -47.7 -45.4 -0.2 37.7 32.4 623 100 D W H X S+ 0 0 12 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.949 107.1 50.6 -59.4 -54.1 0.9 34.3 33.6 624 101 D A H <>S+ 0 0 2 -4,-2.4 5,-2.5 1,-0.2 4,-0.3 0.897 111.4 49.2 -48.5 -48.1 0.9 35.3 37.3 625 102 D K H ><5S+ 0 0 40 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.891 107.3 54.0 -60.9 -44.2 -2.7 36.8 36.9 626 103 D S H 3<5S+ 0 0 77 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.6 52.5 -60.6 -28.0 -3.9 33.6 35.2 627 104 D L T 3<5S- 0 0 57 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.502 129.1 -97.3 -87.1 -4.4 -2.6 31.8 38.3 628 105 D G T < 5 + 0 0 34 -3,-1.4 2,-0.5 -4,-0.3 -3,-0.2 0.587 68.4 152.5 102.6 15.4 -4.5 34.1 40.6 629 106 D V < + 0 0 7 -5,-2.5 -1,-0.3 -6,-0.2 3,-0.1 -0.668 7.6 164.3 -78.6 126.0 -1.9 36.7 41.7 630 107 D K + 0 0 103 -2,-0.5 2,-0.3 1,-0.3 -81,-0.2 0.404 65.9 37.4-115.5 -4.3 -3.7 40.0 42.5 631 108 D D - 0 0 81 -82,-0.1 3,-0.4 4,-0.0 -1,-0.3 -0.900 51.5-168.8-159.8 116.6 -0.8 41.7 44.4 632 109 D T + 0 0 9 -88,-2.3 -87,-0.1 -2,-0.3 -1,-0.0 0.231 59.0 111.0 -95.1 12.2 2.9 41.6 43.8 633 110 D T S S+ 0 0 76 -89,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.910 101.5 11.0 -50.7 -44.8 3.9 43.3 47.1 634 111 D H S S+ 0 0 66 -3,-0.4 -25,-1.8 1,-0.2 2,-0.4 0.341 129.7 54.1-119.0 0.2 5.5 40.0 48.2 635 112 D I E + e 0 609H 2 -27,-0.2 2,-0.4 -4,-0.2 -25,-0.2 -0.970 59.7 178.1-139.9 126.7 5.5 37.9 45.0 636 113 D K E - e 0 610H 20 -27,-2.3 -25,-2.6 -2,-0.4 2,-0.9 -0.979 24.7-142.1-130.8 139.1 7.0 38.9 41.7 637 114 D F E - e 0 611H 6 -2,-0.4 -95,-0.4 -95,-0.3 2,-0.2 -0.852 33.3-163.8-101.9 101.3 7.3 37.1 38.4 638 115 D A E - e 0 612H 0 -27,-2.5 -25,-2.5 -2,-0.9 2,-0.5 -0.522 18.3-138.3 -91.7 146.3 10.7 38.0 37.0 639 116 D S E -Be 540 613H 3 -99,-3.0 -99,-1.5 -2,-0.2 -25,-0.2 -0.901 7.0-163.1 -91.9 130.5 12.3 37.8 33.6 640 117 D D > - 0 0 2 -27,-2.9 3,-2.4 -2,-0.5 4,-0.2 -0.817 29.3-135.8-106.5 86.5 15.9 36.6 33.6 641 118 D P G > S- 0 0 37 0, 0.0 3,-1.4 0, 0.0 4,-0.2 -0.148 80.0 -4.4 -58.3 129.8 16.7 37.8 30.1 642 119 D G G 3 S- 0 0 40 -28,-0.4 -28,-0.1 1,-0.3 5,-0.1 0.654 114.4 -85.2 64.2 18.9 18.7 35.3 28.1 643 120 D C G <> S+ 0 0 0 -3,-2.4 4,-3.5 -30,-0.1 5,-0.3 0.665 85.8 147.7 59.6 20.7 18.8 33.1 31.2 644 121 D A H <> + 0 0 40 -3,-1.4 4,-1.6 1,-0.2 -2,-0.1 0.914 69.4 36.9 -59.3 -51.1 21.9 35.0 32.3 645 122 D F H > S+ 0 0 0 -107,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.950 118.8 50.7 -63.5 -44.9 21.5 34.9 36.1 646 123 D T H 4>S+ 0 0 0 1,-0.2 5,-2.0 2,-0.2 3,-0.5 0.885 110.3 49.0 -63.2 -40.4 20.1 31.3 35.9 647 124 D K H ><5S+ 0 0 97 -4,-3.5 3,-1.3 1,-0.2 -1,-0.2 0.860 104.1 63.0 -62.7 -35.2 23.1 30.2 33.8 648 125 D S H 3<5S+ 0 0 55 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.778 108.3 39.1 -65.4 -28.4 25.5 31.9 36.3 649 126 D I T 3<5S- 0 0 16 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.239 114.7-113.0-104.3 11.6 24.4 29.6 39.2 650 127 D G T < 5S+ 0 0 36 -3,-1.3 -3,-0.2 -5,-0.1 -2,-0.1 0.680 83.6 118.7 69.7 22.4 24.2 26.4 37.0 651 128 D F < + 0 0 23 -5,-2.0 12,-2.0 -6,-0.2 -4,-0.2 0.179 42.4 122.2-104.8 19.8 20.4 26.0 37.3 652 129 D E E -G 662 0I 63 -6,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.211 55.3-134.2 -76.6 166.9 19.6 26.4 33.6 653 130 D L E -G 661 0I 46 8,-3.5 8,-2.5 10,-0.1 2,-0.3 -0.956 13.5-141.7-122.5 113.6 17.8 24.0 31.2 654 131 D A E +G 660 0I 69 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.567 24.1 172.2 -71.8 126.1 19.3 23.3 27.8 655 132 D V E - 0 0 61 4,-2.2 -1,-0.1 -2,-0.3 5,-0.1 0.324 56.1 -63.7-117.5 1.8 16.5 23.1 25.2 656 133 D G E > S+G 659 0I 35 3,-0.6 3,-1.1 0, 0.0 -1,-0.2 0.071 102.0 23.2 124.7 131.2 18.5 22.9 22.0 657 134 D D T 3 S- 0 0 147 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.797 126.9 -46.7 67.0 33.4 20.8 24.9 19.8 658 135 D G T 3 S+ 0 0 57 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.555 104.2 129.8 86.8 4.0 22.3 27.3 22.4 659 136 D V E < -G 656 0I 24 -3,-1.1 -4,-2.2 -193,-0.0 -3,-0.6 -0.810 38.3-163.8 -99.9 136.4 18.9 28.2 23.8 660 137 D Y E -G 654 0I 78 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.961 11.8-177.8-127.9 126.5 18.4 28.1 27.6 661 138 D W E -G 653 0I 47 -8,-2.5 -8,-3.5 -2,-0.4 2,-0.2 -0.701 43.4 -92.0-102.2 164.6 15.3 28.1 29.7 662 139 D S E -G 652 0I 0 -85,-0.5 -10,-0.2 -84,-0.3 -48,-0.1 -0.521 39.0-133.3 -67.3 146.5 15.4 28.1 33.5 663 140 D G - 0 0 4 -12,-2.0 2,-0.6 -2,-0.2 -10,-0.1 -0.051 35.6 -86.1 -75.7-168.7 15.3 24.7 35.2 664 141 D R S S+ 0 0 10 16,-0.2 16,-3.0 -87,-0.2 2,-0.3 -0.963 73.4 132.4-106.3 119.1 13.0 23.9 38.1 665 142 D W E -CF 576 679H 0 -89,-1.1 -89,-1.5 -2,-0.6 2,-0.3 -0.970 38.9-145.4-158.4 167.6 14.8 25.0 41.3 666 143 D A E -CF 575 678H 0 12,-2.2 12,-2.1 -2,-0.3 2,-0.3 -0.999 9.8-173.5-149.4 147.6 14.4 26.9 44.5 667 144 D M E -CF 574 677H 0 -93,-2.7 -93,-2.6 -2,-0.3 2,-0.4 -0.988 12.2-152.2-142.8 139.7 16.7 29.0 46.8 668 145 D V E -CF 573 676H 0 8,-2.2 7,-2.5 -2,-0.3 8,-1.0 -0.977 12.2-169.5-114.1 128.3 16.4 30.6 50.2 669 146 D V E -CF 572 674H 2 -97,-3.0 -97,-2.8 -2,-0.4 2,-0.5 -0.975 3.8-176.4-120.7 116.3 18.4 33.8 50.9 670 147 D E E > S-CF 571 673H 51 3,-2.8 3,-1.3 -2,-0.5 -99,-0.2 -0.967 72.3 -18.4-115.6 124.5 18.6 35.1 54.5 671 148 D N T 3 S- 0 0 94 -101,-3.3 -1,-0.2 -2,-0.5 -101,-0.1 0.829 130.7 -49.0 51.3 38.0 20.4 38.3 55.3 672 149 D G T 3 S+ 0 0 17 -103,-0.3 -140,-2.0 -102,-0.2 2,-0.4 0.608 117.7 109.4 84.5 15.3 22.2 38.1 52.0 673 150 D I E < S-ZF 531 670H 68 -3,-1.3 -3,-2.8 -142,-0.3 2,-0.5 -0.984 70.3-122.8-131.5 127.3 23.3 34.5 52.4 674 151 D V E + F 0 669H 0 -144,-2.0 -145,-3.7 -2,-0.4 -144,-0.3 -0.551 31.9 170.6 -66.7 115.8 22.1 31.4 50.5 675 152 D T E + 0 0 46 -7,-2.5 2,-0.3 -2,-0.5 -1,-0.2 0.416 69.6 17.2-106.3 -3.1 20.8 28.9 53.1 676 153 D Y E + F 0 668H 26 -8,-1.0 -8,-2.2 -149,-0.1 -1,-0.3 -0.901 60.2 164.2-165.1 138.8 19.2 26.5 50.6 677 154 D A E + F 0 667H 17 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.830 11.7 152.5-158.2 120.8 19.6 25.9 46.9 678 155 D A E - F 0 666H 21 -12,-2.1 -12,-2.2 -2,-0.2 2,-0.3 -0.975 21.1-158.3-151.6 140.7 18.5 22.9 44.8 679 156 D K E - F 0 665H 103 -2,-0.3 -14,-0.3 -14,-0.2 2,-0.1 -0.887 29.5-106.4-112.8 150.8 17.4 22.0 41.3 680 157 D E - 0 0 5 -16,-3.0 -16,-0.2 -2,-0.3 4,-0.1 -0.405 13.8-141.1 -66.7 143.3 15.4 19.1 40.0 681 158 D T S S+ 0 0 137 1,-0.3 -1,-0.1 -2,-0.1 3,-0.1 0.889 101.5 25.1 -68.4 -45.1 17.1 16.4 38.0 682 159 D N >> - 0 0 72 1,-0.1 4,-2.8 2,-0.0 3,-0.9 -0.832 66.6-178.2-122.8 94.1 14.1 16.2 35.6 683 160 D P T 34 S+ 0 0 18 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.802 81.7 65.7 -58.7 -28.1 12.2 19.5 35.6 684 161 D G T 34 S+ 0 0 31 1,-0.2 -97,-0.4 -3,-0.1 -2,-0.0 0.888 123.0 8.6 -57.6 -43.7 9.8 17.8 33.2 685 162 D T T <4 S+ 0 0 25 -3,-0.9 2,-0.5 -99,-0.1 -1,-0.2 0.549 108.6 89.3-120.1 -13.0 8.5 15.4 35.7 686 163 D D < + 0 0 51 -4,-2.8 2,-0.4 -99,-0.1 -6,-0.1 -0.816 28.7 166.4-110.7 128.5 9.8 16.2 39.1 687 164 D V + 0 0 60 -2,-0.5 -99,-0.1 -99,-0.1 -3,-0.0 -0.830 48.0 102.7-127.1 92.7 8.6 18.5 41.9 688 165 D T S > S+ 0 0 77 -2,-0.4 3,-1.2 3,-0.0 6,-0.4 0.451 81.1 24.2-129.4 -85.6 10.6 17.5 45.0 689 166 D V T 3 S+ 0 0 50 1,-0.3 -11,-0.1 5,-0.1 -23,-0.1 0.618 124.6 52.7 -67.9 -17.3 13.5 19.8 46.2 690 167 D S T 3 S+ 0 0 0 -25,-0.1 -1,-0.3 -13,-0.1 -25,-0.1 0.539 85.2 114.6 -94.0 -10.2 11.9 22.8 44.5 691 168 D S S <> S- 0 0 15 -3,-1.2 4,-1.9 1,-0.1 5,-0.2 -0.222 78.0-120.5 -62.1 148.9 8.5 22.4 46.1 692 169 D V H > S+ 0 0 1 -103,-0.3 4,-2.8 1,-0.2 -1,-0.1 0.838 115.0 56.9 -54.7 -32.7 7.2 25.0 48.6 693 170 D E H > S+ 0 0 102 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 105.1 48.5 -68.6 -46.5 7.1 22.1 51.2 694 171 D S H 4 S+ 0 0 35 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.857 115.3 46.9 -56.4 -37.9 10.8 21.3 50.8 695 172 D V H >< S+ 0 0 0 -4,-1.9 3,-2.1 1,-0.2 4,-0.4 0.886 103.7 60.1 -75.2 -41.4 11.5 25.0 51.2 696 173 D L H >< S+ 0 0 27 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.870 98.0 60.4 -51.7 -41.1 9.2 25.4 54.2 697 174 D A T 3< S+ 0 0 84 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.633 106.6 48.3 -63.1 -13.6 11.4 22.9 56.1 698 175 D H T < 0 0 94 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.404 360.0 360.0-110.1 0.9 14.3 25.2 55.6 699 176 D L < 0 0 49 -3,-1.5 -2,-0.2 -4,-0.4 -3,-0.1 0.723 360.0 360.0-107.2 360.0 12.8 28.5 56.7