==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-FEB-08 3C7M . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBA-LIKE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.U.STIRNIMANN,J.P.A.GRIMSHAW,R.GLOCKSHUBER,M.G.GRUTTER, . 390 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.2 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 21 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.1 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 2 4 4 0 0 4 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 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 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 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 0 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 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 F 0 0 97 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.1 -35.0 -15.0 12.3 2 2 A T >>> - 0 0 84 6,-0.0 4,-2.6 0, 0.0 3,-1.9 -0.948 360.0-125.1-126.1 126.7 -36.6 -18.1 11.0 3 3 A E B 345S+a 7 0A 119 -2,-0.4 5,-0.2 1,-0.2 0, 0.0 -0.451 103.5 30.4 -60.2 132.9 -35.5 -20.9 8.7 4 4 A G T 345S+ 0 0 54 3,-3.3 -1,-0.2 -2,-0.1 4,-0.1 0.136 127.2 44.2 98.3 -18.2 -38.1 -21.2 5.9 5 5 A T T <45S+ 0 0 85 -3,-1.9 -2,-0.2 2,-0.3 173,-0.1 0.694 125.1 20.7-117.4 -59.7 -39.0 -17.5 6.1 6 6 A D T <5S- 0 0 28 -4,-2.6 169,-2.5 1,-0.2 2,-0.3 0.773 132.3 -10.0 -87.1 -29.9 -35.8 -15.4 6.3 7 7 A Y E < -aB 3 174A 12 -5,-1.0 -3,-3.3 167,-0.3 -2,-0.3 -0.959 56.0-145.3-158.4 168.7 -33.4 -18.0 4.9 8 8 A M E - B 0 173A 36 165,-2.2 165,-2.2 -2,-0.3 2,-0.6 -0.923 25.9-111.6-137.2 164.9 -33.0 -21.6 3.9 9 9 A V E - B 0 172A 46 -2,-0.3 163,-0.2 163,-0.2 2,-0.2 -0.892 31.2-125.8-102.0 122.0 -30.1 -24.1 4.0 10 10 A L - 0 0 9 161,-2.7 147,-0.0 -2,-0.6 4,-0.0 -0.454 7.7-150.8 -64.0 129.5 -28.6 -25.2 0.7 11 11 A E S S+ 0 0 186 1,-0.3 -1,-0.2 -2,-0.2 160,-0.0 0.863 97.3 37.5 -71.1 -34.1 -28.7 -29.0 0.3 12 12 A K S S- 0 0 132 144,-0.1 -1,-0.3 159,-0.0 -2,-0.0 -0.890 92.8-153.0-115.4 96.9 -25.6 -28.6 -1.9 13 13 A P - 0 0 67 0, 0.0 158,-0.2 0, 0.0 157,-0.1 -0.164 24.8-101.2 -61.9 160.6 -23.4 -25.8 -0.4 14 14 A I - 0 0 11 156,-2.3 3,-0.4 3,-0.1 136,-0.0 -0.774 47.8-126.2 -79.1 123.9 -21.0 -23.7 -2.4 15 15 A P S S+ 0 0 63 0, 0.0 155,-0.1 0, 0.0 138,-0.1 -0.268 81.5 19.6 -72.2 159.9 -17.6 -25.2 -1.7 16 16 A N S S+ 0 0 149 1,-0.1 154,-0.1 153,-0.1 153,-0.0 0.870 84.3 126.5 51.2 48.6 -14.5 -23.2 -0.4 17 17 A A > + 0 0 5 -3,-0.4 3,-0.8 152,-0.2 152,-0.2 0.001 24.6 154.3-128.3 25.9 -16.7 -20.4 0.9 18 18 A D T 3 S+ 0 0 137 1,-0.2 34,-0.2 152,-0.1 152,-0.1 -0.341 74.2 4.2 -56.8 133.3 -15.6 -20.1 4.6 19 19 A K T 3 S+ 0 0 148 1,-0.2 33,-2.6 32,-0.1 2,-0.3 0.917 103.9 131.6 54.6 51.3 -16.2 -16.6 6.0 20 20 A T E < -c 52 0A 15 -3,-0.8 149,-2.7 31,-0.3 2,-0.6 -0.956 53.6-153.2-130.1 150.9 -17.9 -15.2 2.8 21 21 A L E -cD 53 168A 1 31,-2.5 33,-2.9 -2,-0.3 2,-0.4 -0.949 29.0-166.0-114.4 102.7 -21.0 -13.3 1.8 22 22 A I E -cD 54 167A 2 145,-2.8 145,-3.1 -2,-0.6 2,-0.5 -0.741 7.6-163.2 -89.9 134.9 -21.6 -14.5 -1.7 23 23 A K E -cD 55 166A 0 31,-1.6 33,-2.7 -2,-0.4 2,-0.5 -0.935 5.1-157.2-118.9 107.2 -24.0 -12.6 -3.9 24 24 A V E +cD 56 165A 0 141,-3.0 141,-2.0 -2,-0.5 2,-0.3 -0.707 32.9 154.2 -77.9 126.4 -25.2 -14.5 -7.0 25 25 A F E -c 57 0A 0 31,-2.4 33,-2.6 -2,-0.5 2,-0.3 -0.933 35.9-143.6-147.6 168.6 -26.3 -11.9 -9.5 26 26 A S > - 0 0 0 -2,-0.3 3,-1.8 31,-0.2 6,-0.2 -0.997 21.4-134.6-136.2 139.9 -26.8 -11.2 -13.2 27 27 A Y T 3 S+ 0 0 2 -2,-0.3 78,-0.1 1,-0.3 77,-0.1 0.796 109.1 55.9 -55.6 -28.5 -26.3 -7.9 -15.0 28 28 A A T 3 S+ 0 0 9 33,-0.2 -1,-0.3 76,-0.1 34,-0.1 0.373 83.8 100.5 -90.6 4.6 -29.7 -8.6 -16.7 29 29 A C <> - 0 0 8 -3,-1.8 4,-1.6 1,-0.1 5,-0.1 -0.813 58.0-157.3 -99.4 119.9 -31.7 -8.9 -13.5 30 30 A P H > S+ 0 0 59 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.863 94.4 51.2 -64.0 -36.6 -33.7 -5.8 -12.4 31 31 A F H > S+ 0 0 108 2,-0.2 4,-3.1 132,-0.2 5,-0.3 0.853 104.5 57.6 -68.6 -34.4 -33.8 -6.8 -8.7 32 32 A C H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 109.4 45.9 -57.7 -43.6 -30.1 -7.3 -8.7 33 33 A Y H X S+ 0 0 24 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.940 113.3 49.7 -62.8 -48.0 -29.8 -3.7 -9.9 34 34 A K H X S+ 0 0 105 -4,-2.2 4,-1.6 1,-0.2 3,-0.3 0.929 114.3 42.7 -58.3 -50.4 -32.3 -2.5 -7.3 35 35 A Y H X>S+ 0 0 40 -4,-3.1 4,-3.0 1,-0.2 5,-2.5 0.828 112.0 54.9 -68.5 -31.7 -30.7 -4.3 -4.3 36 36 A D H <5S+ 0 0 12 -4,-2.0 5,-0.4 -5,-0.3 -1,-0.2 0.744 111.1 46.3 -71.4 -24.3 -27.2 -3.2 -5.5 37 37 A K H <5S+ 0 0 126 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.827 127.8 24.9 -79.1 -33.5 -28.4 0.4 -5.5 38 38 A A H <5S+ 0 0 58 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.764 133.3 4.0-108.4 -34.2 -30.1 0.1 -2.1 39 39 A V T X5S+ 0 0 16 -4,-3.0 4,-2.7 -5,-0.2 5,-0.3 0.698 99.5 79.6-129.2 -35.5 -28.6 -2.6 0.2 40 40 A T H > S+ 0 0 17 -5,-0.4 4,-2.5 2,-0.2 5,-0.2 0.969 118.3 43.4 -62.9 -59.8 -22.9 -1.9 -0.3 42 42 A P H > S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.903 117.8 46.9 -53.7 -42.6 -24.0 -0.7 3.1 43 43 A V H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.928 112.6 47.6 -67.6 -45.6 -24.8 -4.3 4.2 44 44 A S H < S+ 0 0 6 -4,-2.5 4,-0.5 -5,-0.3 -1,-0.2 0.876 110.8 53.0 -63.1 -37.3 -21.4 -5.7 3.0 45 45 A E H >< S+ 0 0 99 -4,-2.5 3,-0.8 -5,-0.2 -1,-0.2 0.893 106.8 53.2 -62.6 -40.4 -19.6 -2.8 4.7 46 46 A K H 3< S+ 0 0 96 -4,-1.7 3,-0.2 1,-0.2 -1,-0.2 0.805 117.4 35.9 -66.1 -30.3 -21.3 -3.5 8.0 47 47 A V T >X S+ 0 0 1 -4,-1.3 4,-2.4 -3,-0.2 3,-2.0 0.278 80.4 109.7-108.6 10.8 -20.3 -7.2 7.9 48 48 A K T <4 S+ 0 0 133 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.1 0.706 72.3 64.3 -63.4 -20.0 -16.8 -7.0 6.4 49 49 A D T 34 S+ 0 0 113 -3,-0.2 -1,-0.3 -4,-0.2 3,-0.1 0.682 117.1 25.5 -73.4 -20.1 -15.2 -7.9 9.7 50 50 A I T <4 S+ 0 0 54 -3,-2.0 2,-0.4 1,-0.3 -2,-0.2 0.688 126.5 30.3-114.9 -30.6 -16.8 -11.3 9.7 51 51 A V < - 0 0 5 -4,-2.4 2,-0.4 -7,-0.2 -1,-0.3 -0.999 69.7-127.5-140.7 138.0 -17.4 -12.2 6.0 52 52 A A E -c 20 0A 56 -33,-2.6 -31,-2.5 -2,-0.4 2,-0.3 -0.689 31.7-118.4 -83.6 125.7 -15.7 -11.3 2.7 53 53 A F E -c 21 0A 33 -2,-0.4 -31,-0.2 -33,-0.2 33,-0.1 -0.513 37.4-178.4 -68.5 126.7 -18.0 -9.9 0.0 54 54 A T E -c 22 0A 38 -33,-2.9 -31,-1.6 -2,-0.3 2,-0.1 -0.811 14.3-154.6-138.7 87.6 -17.9 -12.3 -2.9 55 55 A P E -c 23 0A 5 0, 0.0 2,-0.4 0, 0.0 -31,-0.2 -0.410 7.5-167.6 -63.4 138.3 -19.8 -11.6 -6.1 56 56 A F E -c 24 0A 11 -33,-2.7 -31,-2.4 -2,-0.1 2,-0.3 -0.992 12.7-146.3-122.9 118.2 -20.8 -14.7 -8.2 57 57 A H E -c 25 0A 1 -2,-0.4 2,-0.8 -33,-0.2 97,-0.3 -0.679 8.4-134.9 -88.5 141.6 -22.1 -13.9 -11.7 58 58 A L > - 0 0 9 -33,-2.6 3,-0.9 -2,-0.3 -31,-0.2 -0.844 17.9-170.3 -94.4 106.0 -24.7 -16.1 -13.3 59 59 A E T 3 S+ 0 0 32 -2,-0.8 7,-0.3 92,-0.3 6,-0.1 0.597 73.9 67.9 -76.1 -11.7 -23.5 -16.7 -16.9 60 60 A T T 3 S+ 0 0 28 5,-0.2 2,-0.4 4,-0.1 -1,-0.2 0.557 81.5 87.1 -89.3 -8.4 -26.8 -18.3 -18.1 61 61 A K S < S+ 0 0 84 -3,-0.9 -34,-0.2 4,-0.1 -33,-0.2 -0.758 85.4 2.6 -97.1 138.1 -29.0 -15.2 -17.9 62 62 A G S > S- 0 0 2 -2,-0.4 3,-0.9 1,-0.2 4,-0.2 0.106 92.2 -75.7 77.1 166.6 -29.3 -12.7 -20.8 63 63 A E T 3 S+ 0 0 15 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.748 130.6 37.8 -71.9 -21.8 -27.7 -12.7 -24.2 64 64 A Y T 3> S+ 0 0 1 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 0.018 72.4 124.6-121.6 26.0 -24.3 -11.7 -22.8 65 65 A G H <> S+ 0 0 2 -3,-0.9 4,-2.2 1,-0.2 -5,-0.2 0.862 78.1 49.5 -53.0 -40.8 -24.1 -13.6 -19.6 66 66 A K H > S+ 0 0 57 -7,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.938 112.3 46.2 -67.6 -47.1 -20.8 -15.3 -20.6 67 67 A Q H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.887 111.8 51.5 -62.5 -40.6 -19.1 -12.0 -21.6 68 68 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.929 108.9 51.5 -63.7 -43.5 -20.3 -10.2 -18.4 69 69 A S H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.925 110.6 48.9 -56.9 -44.7 -18.9 -13.1 -16.4 70 70 A E H X S+ 0 0 32 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.938 113.0 46.2 -60.4 -48.1 -15.5 -12.7 -18.2 71 71 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.950 116.0 45.3 -61.8 -48.0 -15.4 -8.9 -17.7 72 72 A F H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.892 111.6 51.7 -64.7 -40.4 -16.4 -9.2 -14.0 73 73 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.912 112.5 46.9 -62.5 -42.7 -13.9 -12.1 -13.3 74 74 A V H X S+ 0 0 3 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.959 116.3 43.3 -62.1 -48.5 -11.1 -10.0 -14.8 75 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 18,-0.4 0.868 111.6 52.1 -73.4 -35.8 -12.0 -6.9 -12.9 76 76 A I H X S+ 0 0 13 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.928 111.4 48.3 -62.0 -45.8 -12.6 -8.5 -9.5 77 77 A N H X S+ 0 0 34 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.900 112.5 48.6 -62.3 -39.8 -9.2 -10.2 -9.7 78 78 A K H X S+ 0 0 99 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.952 113.3 46.4 -63.1 -50.0 -7.5 -7.0 -10.7 79 79 A D H <>S+ 0 0 1 -4,-2.8 5,-2.9 1,-0.2 3,-0.4 0.933 113.7 49.2 -57.9 -48.0 -9.2 -5.0 -7.8 80 80 A K H ><5S+ 0 0 145 -4,-2.8 3,-1.3 1,-0.2 -1,-0.2 0.900 108.9 52.4 -58.0 -43.9 -8.4 -7.8 -5.3 81 81 A A H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 111.1 47.9 -63.6 -29.8 -4.7 -7.9 -6.5 82 82 A A T 3<5S- 0 0 67 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.402 116.0-115.2 -91.1 0.8 -4.5 -4.1 -5.9 83 83 A G T < 5 + 0 0 71 -3,-1.3 2,-0.5 -4,-0.4 -3,-0.2 0.785 64.9 150.3 69.3 29.8 -6.1 -4.4 -2.5 84 84 A I < - 0 0 49 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.842 46.6-125.2-100.2 125.4 -9.2 -2.4 -3.7 85 85 A S > - 0 0 60 -2,-0.5 3,-1.4 1,-0.1 6,-0.1 -0.346 20.0-122.9 -62.0 145.0 -12.6 -3.0 -2.1 86 86 A L T 3 S+ 0 0 17 1,-0.3 -1,-0.1 -33,-0.1 8,-0.0 0.541 113.4 49.0 -72.3 -3.8 -15.3 -3.8 -4.6 87 87 A F T 3 S+ 0 0 42 -46,-0.1 -1,-0.3 6,-0.0 -2,-0.0 0.413 86.3 116.5-110.0 -3.2 -17.3 -0.8 -3.3 88 88 A D S X S- 0 0 66 -3,-1.4 3,-2.0 1,-0.1 6,-0.2 -0.308 77.3-119.6 -65.4 148.1 -14.5 1.7 -3.5 89 89 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 5,-0.1 -3,-0.0 0.763 116.7 52.2 -57.9 -26.3 -14.7 4.6 -5.9 90 90 A N T 3 S+ 0 0 108 -5,-0.1 2,-0.4 4,-0.0 -1,-0.3 0.358 78.8 122.9 -93.5 2.9 -11.6 3.2 -7.6 91 91 A S <> - 0 0 0 -3,-2.0 4,-1.6 1,-0.2 5,-0.1 -0.544 46.6-162.2 -69.5 120.3 -13.0 -0.3 -8.1 92 92 A Q H > S+ 0 0 26 -2,-0.4 4,-2.4 -17,-0.3 5,-0.2 0.869 91.7 55.3 -69.0 -37.4 -13.0 -1.2 -11.8 93 93 A F H > S+ 0 0 0 -18,-0.4 4,-3.1 1,-0.2 5,-0.2 0.946 106.6 50.9 -57.9 -48.9 -15.5 -4.0 -11.1 94 94 A K H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.909 109.9 50.0 -56.3 -43.5 -17.9 -1.6 -9.6 95 95 A K H X S+ 0 0 93 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.926 114.0 43.9 -63.4 -46.6 -17.6 0.8 -12.6 96 96 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.919 111.8 54.1 -64.1 -43.5 -18.3 -2.0 -15.1 97 97 A K H X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.934 112.4 42.1 -59.2 -47.6 -21.1 -3.5 -13.0 98 98 A F H X S+ 0 0 61 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.833 110.2 57.7 -72.6 -27.9 -23.0 -0.2 -12.8 99 99 A A H X S+ 0 0 24 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.909 110.0 45.0 -63.7 -42.8 -22.3 0.6 -16.5 100 100 A Y H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.907 112.6 50.2 -67.7 -42.5 -24.0 -2.7 -17.5 101 101 A Y H X>S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.2 5,-0.8 0.943 114.3 45.2 -60.1 -46.3 -26.9 -2.1 -15.2 102 102 A A H X>S+ 0 0 31 -4,-2.7 5,-2.1 3,-0.2 4,-1.1 0.929 116.0 46.3 -63.1 -45.7 -27.4 1.4 -16.5 103 103 A A H <5S+ 0 0 10 -4,-2.6 6,-2.8 3,-0.2 4,-0.2 0.958 121.0 36.1 -61.7 -52.2 -27.1 0.3 -20.2 104 104 A Y H <5S+ 0 0 39 -4,-2.8 4,-0.2 4,-0.2 -2,-0.2 0.933 131.0 25.2 -68.9 -50.0 -29.3 -2.7 -19.9 105 105 A H H <5S+ 0 0 23 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.856 130.6 32.8 -90.1 -40.5 -32.0 -1.5 -17.5 106 106 A D T <> - 0 0 67 -2,-0.2 3,-1.3 -47,-0.0 4,-0.6 0.357 36.2-134.7-128.1 0.6 -29.2 -4.8 -26.1 111 111 A W T 34>S- 0 0 11 1,-0.3 5,-0.8 2,-0.2 3,-0.5 0.877 75.3 -48.0 46.0 49.7 -26.0 -4.6 -28.3 112 112 A S T >45S- 0 0 76 1,-0.2 3,-1.8 3,-0.1 -1,-0.3 0.784 94.6 -80.3 62.5 27.6 -27.7 -6.4 -31.3 113 113 A D T <45S- 0 0 39 -3,-1.3 -1,-0.2 1,-0.3 239,-0.2 0.841 97.7 -33.6 56.3 49.6 -29.1 -9.2 -29.2 114 114 A G T 3<5S+ 0 0 0 -4,-0.6 -1,-0.3 -3,-0.5 -2,-0.1 0.087 120.4 95.4 99.1 -20.8 -26.1 -11.5 -28.8 115 115 A K T < 5S+ 0 0 64 -3,-1.8 -3,-0.1 1,-0.2 -2,-0.1 0.464 81.3 50.4 -86.6 -0.5 -24.5 -10.7 -32.2 116 116 A D >>< + 0 0 62 -5,-0.8 4,-1.8 1,-0.1 3,-0.6 -0.466 53.8 156.2-135.8 64.5 -22.1 -8.0 -31.0 117 117 A P H 3> S+ 0 0 40 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.810 75.0 62.9 -62.5 -28.3 -20.1 -9.2 -28.0 118 118 A A H 3> S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.907 104.9 46.4 -60.3 -42.4 -17.3 -6.7 -28.8 119 119 A A H <> S+ 0 0 27 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.899 112.7 50.0 -66.1 -41.0 -19.8 -3.8 -28.2 120 120 A F H X S+ 0 0 0 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.958 112.6 46.1 -61.6 -49.2 -21.0 -5.5 -25.0 121 121 A I H X S+ 0 0 15 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.915 109.0 56.8 -59.2 -42.2 -17.5 -6.0 -23.7 122 122 A K H X S+ 0 0 119 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.882 99.9 58.7 -57.5 -41.7 -16.5 -2.4 -24.7 123 123 A T H X S+ 0 0 42 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.939 113.6 37.4 -55.6 -47.5 -19.4 -0.9 -22.6 124 124 A G H X S+ 0 0 0 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.916 118.3 47.5 -71.3 -45.4 -17.9 -2.5 -19.5 125 125 A L H X>S+ 0 0 2 -4,-2.7 5,-2.4 2,-0.2 4,-1.3 0.902 110.1 52.0 -66.7 -43.2 -14.2 -2.1 -20.2 126 126 A D H <5S+ 0 0 92 -4,-3.1 3,-0.5 -5,-0.2 -1,-0.2 0.919 111.0 48.5 -57.9 -43.4 -14.6 1.6 -21.2 127 127 A A H <5S+ 0 0 41 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.867 114.2 46.3 -65.2 -36.1 -16.4 2.3 -17.9 128 128 A A H <5S- 0 0 4 -4,-1.8 -1,-0.2 2,-0.1 -2,-0.2 0.633 111.1-121.5 -80.1 -14.5 -13.7 0.5 -16.0 129 129 A G T <5 + 0 0 64 -4,-1.3 2,-0.4 -3,-0.5 -3,-0.2 0.766 66.3 137.2 75.1 27.8 -10.9 2.2 -17.9 130 130 A M < - 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0 0 12 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.1 -0.915 50.8-127.8-113.5 138.0 -14.7 -37.0 -33.4 327 131 B S > - 0 0 59 -2,-0.4 4,-2.1 1,-0.1 5,-0.1 -0.436 22.2-117.5 -76.9 155.3 -11.4 -36.3 -31.5 328 132 B Q H > S+ 0 0 76 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.904 115.9 53.7 -54.4 -44.7 -11.0 -33.3 -29.1 329 133 B A H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 108.5 47.6 -60.5 -45.3 -8.2 -32.0 -31.4 330 134 B D H > S+ 0 0 99 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 112.2 51.0 -64.1 -40.0 -10.4 -32.1 -34.5 331 135 B F H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.947 110.6 47.3 -60.8 -50.1 -13.3 -30.4 -32.6 332 136 B E H X S+ 0 0 92 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.875 114.4 47.3 -62.6 -38.6 -11.0 -27.6 -31.4 333 137 B A H >< S+ 0 0 62 -4,-2.1 3,-0.6 -5,-0.2 4,-0.3 0.905 113.1 48.4 -67.1 -42.0 -9.6 -27.0 -34.9 334 138 B A H >< S+ 0 0 14 -4,-2.4 3,-1.5 1,-0.2 6,-0.3 0.843 100.9 65.1 -68.1 -33.7 -13.0 -27.0 -36.5 335 139 B L H 3< S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.812 96.7 57.4 -59.5 -31.2 -14.4 -24.6 -34.0 336 140 B K T << S+ 0 0 155 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.626 81.0 113.5 -76.0 -16.3 -12.0 -21.9 -35.3 337 141 B E S <> S- 0 0 96 -3,-1.5 4,-2.3 -4,-0.3 3,-0.5 -0.308 73.0-129.0 -60.5 137.5 -13.4 -22.2 -38.9 338 142 B P H > S+ 0 0 114 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.849 108.2 56.4 -56.3 -38.0 -15.2 -19.1 -40.1 339 143 B A H > S+ 0 0 47 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.885 109.3 45.7 -60.8 -40.4 -18.2 -21.2 -41.2 340 144 B V H > S+ 0 0 1 -3,-0.5 4,-2.3 -6,-0.3 -1,-0.2 0.923 113.3 48.4 -71.3 -43.4 -18.6 -22.6 -37.7 341 145 B Q H X S+ 0 0 93 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.876 109.3 54.1 -64.9 -35.2 -18.3 -19.2 -36.1 342 146 B E H X S+ 0 0 105 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.907 107.3 51.2 -62.3 -42.6 -20.8 -17.8 -38.5 343 147 B T H X S+ 0 0 22 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.946 109.2 49.5 -59.1 -49.6 -23.2 -20.5 -37.4 344 148 B L H < S+ 0 0 25 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.868 110.4 51.9 -59.1 -36.4 -22.7 -19.7 -33.8 345 149 B E H >< S+ 0 0 65 -4,-2.1 3,-1.5 1,-0.2 4,-0.3 0.938 108.9 49.4 -64.2 -47.6 -23.4 -16.0 -34.6 346 150 B K H >< S+ 0 0 83 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.899 104.0 60.7 -57.1 -42.6 -26.6 -16.9 -36.4 347 151 B W G >< S+ 0 0 14 -4,-2.4 3,-1.8 1,-0.3 -92,-0.3 0.569 80.1 83.5 -68.1 -8.5 -27.8 -18.9 -33.5 348 152 B K G X S+ 0 0 28 -3,-1.5 3,-1.0 -4,-0.4 4,-0.4 0.766 79.7 69.3 -61.8 -23.7 -27.7 -15.9 -31.2 349 153 B A G <> S+ 0 0 17 -3,-1.8 4,-1.4 -4,-0.3 -1,-0.3 0.612 77.9 82.5 -70.1 -11.9 -31.1 -15.1 -32.6 350 154 B S H <> S+ 0 0 1 -3,-1.8 4,-2.6 -97,-0.3 -1,-0.2 0.829 80.6 62.8 -61.4 -35.0 -32.5 -18.2 -30.7 351 155 B Y H <> S+ 0 0 61 -3,-1.0 4,-0.8 -4,-0.3 -1,-0.2 0.931 106.2 41.1 -61.1 -49.1 -32.9 -16.3 -27.4 352 156 B D H 4 S+ 0 0 27 -4,-0.4 4,-0.4 1,-0.2 3,-0.3 0.831 115.8 51.8 -71.8 -31.1 -35.5 -13.8 -28.7 353 157 B V H >X S+ 0 0 7 -4,-1.4 3,-1.4 1,-0.2 4,-0.6 0.907 104.3 56.7 -68.5 -41.7 -37.3 -16.5 -30.6 354 158 B A H 3X S+ 0 0 15 -4,-2.6 4,-1.8 1,-0.3 -1,-0.2 0.696 93.3 72.3 -63.1 -21.8 -37.5 -18.7 -27.5 355 159 B K H 3< S+ 0 0 134 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.761 87.9 62.3 -61.9 -30.4 -39.2 -16.0 -25.6 356 160 B I H <4 S- 0 0 68 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.964 134.4 -19.8 -70.6 -54.0 -42.5 -16.4 -27.5 357 161 B Q H < S- 0 0 46 -4,-0.6 -2,-0.2 1,-0.5 -1,-0.1 0.050 95.0-112.6-146.0 28.2 -43.5 -19.9 -26.6 358 162 B G < - 0 0 32 -4,-1.8 -1,-0.5 -5,-0.2 -2,-0.1 -0.286 59.9 -7.7 77.7-162.1 -40.3 -21.6 -25.4 359 163 B V S S+ 0 0 18 -3,-0.1 -132,-0.2 -4,-0.1 -131,-0.2 -0.891 103.1 51.7-116.7 151.0 -38.4 -24.4 -27.1 360 164 B P S S- 0 0 1 0, 0.0 2,-0.5 0, 0.0 12,-0.3 0.561 70.9-179.9 -71.5 155.3 -38.7 -26.2 -29.4 361 165 B A E -I 220 0B 0 -141,-2.1 -141,-2.9 -2,-0.2 2,-0.6 -0.926 11.1-163.2-129.2 104.6 -39.5 -23.4 -31.8 362 166 B Y E -I 219 0B 1 -2,-0.5 8,-2.9 8,-0.4 2,-0.4 -0.814 13.3-173.0 -90.1 121.9 -40.2 -24.4 -35.4 363 167 B V E -IJ 218 369B 0 -145,-3.0 -145,-2.8 -2,-0.6 2,-0.5 -0.956 14.4-148.2-122.8 129.4 -39.9 -21.4 -37.7 364 168 B V E >> S-IJ 217 368B 0 4,-2.9 4,-2.3 -2,-0.4 3,-1.8 -0.877 80.2 -16.3-101.0 125.8 -40.8 -21.3 -41.4 365 169 B N T 34 S- 0 0 33 -149,-2.8 -152,-0.2 -2,-0.5 -1,-0.2 0.727 114.3 -74.5 56.0 28.2 -38.8 -19.0 -43.7 366 170 B G T 34 S+ 0 0 0 -150,-0.3 -156,-2.4 -3,-0.2 -1,-0.3 0.354 130.3 69.6 71.5 -0.7 -37.5 -17.1 -40.6 367 171 B K T <4 S+ 0 0 77 -3,-1.8 -161,-2.9 -158,-0.2 2,-0.7 0.746 79.3 64.5-118.0 -38.8 -41.0 -15.5 -40.2 368 172 B Y E < -GJ 205 364B 30 -4,-2.3 -4,-2.9 -163,-0.2 2,-0.6 -0.858 59.6-163.0-108.4 110.4 -43.7 -18.0 -39.1 369 173 B L E -GJ 204 363B 0 -165,-2.3 -165,-2.3 -2,-0.7 -6,-0.2 -0.803 13.5-141.4 -93.9 119.1 -43.4 -19.6 -35.7 370 174 B I E -G 203 0B 0 -8,-2.9 2,-0.8 -2,-0.6 -8,-0.4 -0.531 19.5-119.8 -74.0 140.0 -45.4 -22.7 -35.2 371 175 B Y > - 0 0 42 -169,-2.2 3,-1.7 -2,-0.2 4,-0.4 -0.774 19.2-150.8 -78.5 115.5 -47.0 -23.1 -31.7 372 176 B T G > S+ 0 0 13 -2,-0.8 3,-1.8 -12,-0.3 -1,-0.2 0.870 93.3 60.4 -54.2 -40.5 -45.5 -26.3 -30.5 373 177 B K G 3 S+ 0 0 156 1,-0.3 -1,-0.3 -16,-0.1 -171,-0.1 0.679 99.2 59.1 -64.8 -16.9 -48.6 -27.1 -28.3 374 178 B S G < S+ 0 0 18 -3,-1.7 2,-0.5 -172,-0.1 -1,-0.3 0.564 76.2 112.1 -85.4 -12.3 -50.7 -27.1 -31.5 375 179 B I < + 0 0 22 -3,-1.8 3,-0.1 -4,-0.4 -140,-0.0 -0.539 30.9 158.8 -71.4 116.3 -48.7 -29.9 -33.1 376 180 B K - 0 0 181 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.716 58.7 -1.9-108.6 -33.8 -51.0 -33.0 -33.3 377 181 B S > - 0 0 49 1,-0.1 4,-2.0 -142,-0.0 -1,-0.3 -0.982 63.5-108.5-156.9 161.3 -49.5 -35.2 -36.0 378 182 B I H > S+ 0 0 63 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.937 118.4 49.3 -58.7 -47.9 -46.7 -35.5 -38.6 379 183 B D H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.941 111.9 46.5 -59.9 -49.7 -49.1 -35.0 -41.5 380 184 B A H > S+ 0 0 28 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.856 112.2 50.6 -64.4 -36.5 -50.8 -31.9 -40.0 381 185 B M H X S+ 0 0 5 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.917 112.0 47.2 -68.8 -40.7 -47.4 -30.3 -39.2 382 186 B A H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 111.1 52.0 -63.5 -43.2 -46.1 -30.9 -42.7 383 187 B D H X S+ 0 0 79 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.926 111.6 47.7 -55.7 -46.7 -49.4 -29.5 -44.1 384 188 B L H X S+ 0 0 5 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.917 109.3 51.7 -63.0 -46.4 -48.9 -26.4 -41.9 385 189 B I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.912 109.9 50.6 -57.7 -42.2 -45.3 -26.0 -43.0 386 190 B R H X S+ 0 0 89 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.879 110.1 48.9 -63.8 -40.0 -46.3 -26.1 -46.6 387 191 B E H >< S+ 0 0 67 -4,-1.9 3,-0.9 1,-0.2 4,-0.3 0.948 113.7 46.9 -62.2 -48.3 -49.1 -23.5 -46.1 388 192 B L H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.838 108.9 54.0 -64.5 -35.5 -46.6 -21.2 -44.3 389 193 B A H 3< S+ 0 0 27 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.652 101.7 60.3 -74.5 -16.6 -43.9 -21.7 -47.0 390 194 B S T << 0 0 97 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.463 360.0 360.0 -89.1 -4.0 -46.4 -20.6 -49.7 391 195 B K < 0 0 114 -3,-1.1 -3,-0.0 -4,-0.3 -4,-0.0 -0.532 360.0 360.0 -81.0 360.0 -46.9 -17.2 -48.1