==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-09 3KH9 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.DI MATTEO,N.CALOSCI,S.GIANNI,P.JEMTH,M.BRUNORI,C.TRAVAGLIN . 155 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7952.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 13.5 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 1 1 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 21 A R 0 0 293 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 123.4 -28.4 -20.9 9.9 2 22 A G - 0 0 65 1,-0.2 2,-0.0 0, 0.0 0, 0.0 -0.216 360.0 -64.6 -76.5 174.9 -30.1 -17.9 8.3 3 23 A S - 0 0 121 -2,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.313 46.6-170.4 -69.5 142.8 -29.6 -16.9 4.7 4 24 A H - 0 0 160 -3,-0.1 2,-0.4 -2,-0.0 -1,-0.0 -0.998 8.4-153.6-135.5 124.8 -26.2 -15.7 3.6 5 25 A M - 0 0 163 -2,-0.4 2,-0.1 0, 0.0 -2,-0.0 -0.849 15.7-127.9-105.5 130.2 -25.8 -14.1 0.1 6 26 A L - 0 0 72 -2,-0.4 5,-0.0 1,-0.1 109,-0.0 -0.503 36.8-106.8 -66.2 145.5 -22.5 -14.2 -1.7 7 27 A D > - 0 0 77 -2,-0.1 3,-1.9 1,-0.1 4,-0.4 -0.430 31.4-103.9 -74.0 155.3 -21.5 -10.7 -2.9 8 28 A P G > S+ 0 0 104 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.791 117.8 63.0 -48.2 -36.5 -21.8 -9.9 -6.6 9 29 A S G 3 S+ 0 0 45 1,-0.3 6,-0.1 5,-0.1 5,-0.1 0.771 98.4 57.5 -65.1 -22.7 -18.0 -10.2 -7.2 10 30 A E G < S+ 0 0 35 -3,-1.9 -1,-0.3 4,-0.1 105,-0.1 0.545 81.4 105.5 -86.5 -8.9 -18.1 -13.9 -6.2 11 31 A L S X S- 0 0 84 -3,-1.3 3,-2.0 -4,-0.4 4,-0.4 -0.499 80.9-122.6 -67.6 139.3 -20.7 -14.9 -8.9 12 32 A P T 3 S+ 0 0 61 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.821 113.1 53.4 -50.2 -34.2 -19.1 -16.8 -11.8 13 33 A S T > S+ 0 0 81 1,-0.2 3,-1.1 2,-0.1 -4,-0.1 0.568 83.6 94.5 -77.5 -10.5 -20.5 -14.1 -14.2 14 34 A A T < S+ 0 0 29 -3,-2.0 -1,-0.2 1,-0.2 -4,-0.1 0.837 91.9 30.0 -56.2 -45.1 -18.8 -11.2 -12.2 15 35 A L T > S+ 0 0 35 -3,-0.4 3,-2.3 -4,-0.4 114,-0.4 0.316 82.0 137.3-104.2 10.6 -15.6 -10.8 -14.2 16 36 A I T < S+ 0 0 69 -3,-1.1 114,-0.2 1,-0.3 -3,-0.0 -0.360 80.9 9.1 -57.3 126.8 -16.7 -11.9 -17.6 17 37 A G T 3 S+ 0 0 39 112,-2.8 -1,-0.3 1,-0.3 113,-0.1 0.454 107.1 116.3 77.8 2.7 -15.3 -9.6 -20.3 18 38 A K S < S- 0 0 112 -3,-2.3 111,-2.9 111,-0.4 -1,-0.3 -0.792 71.4-106.5-101.7 144.6 -13.1 -7.9 -17.7 19 39 A P B -A 128 0A 88 0, 0.0 109,-0.3 0, 0.0 108,-0.1 -0.378 46.7 -89.8 -62.2 144.1 -9.2 -8.0 -17.7 20 40 A F - 0 0 13 107,-2.3 17,-0.1 106,-0.1 92,-0.0 -0.345 57.8 -96.8 -50.8 130.7 -7.5 -10.2 -15.1 21 41 A P - 0 0 17 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.215 41.3-106.7 -53.0 142.6 -7.0 -8.0 -12.0 22 42 A A + 0 0 67 -3,-0.1 2,-0.3 14,-0.1 89,-0.1 -0.429 49.6 162.9 -71.8 146.6 -3.5 -6.4 -11.7 23 43 A F - 0 0 21 -2,-0.1 14,-0.6 2,-0.1 2,-0.3 -0.986 34.4-154.7-158.8 159.1 -1.2 -7.9 -9.1 24 44 A D E +B 36 0B 89 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.848 38.3 152.4-139.3 101.4 2.4 -8.0 -8.0 25 45 A L E -B 35 0B 21 10,-2.3 10,-3.3 -2,-0.3 78,-0.1 -0.938 44.4-104.3-135.2 151.8 3.1 -11.2 -6.1 26 46 A P E -B 34 0B 31 0, 0.0 76,-2.6 0, 0.0 8,-0.2 -0.395 39.2-111.4 -69.9 150.3 6.0 -13.5 -5.3 27 47 A S B -C 101 0C 8 6,-2.4 74,-0.2 3,-1.0 6,-0.2 -0.487 26.8-119.0 -71.7 152.8 6.2 -16.9 -7.1 28 48 A V S S+ 0 0 0 72,-2.4 59,-0.2 1,-0.2 -1,-0.1 0.927 110.8 41.2 -59.5 -47.4 5.6 -19.9 -4.7 29 49 A Q S S+ 0 0 96 1,-0.2 -1,-0.2 71,-0.2 58,-0.0 0.721 126.2 30.1 -80.3 -24.1 9.0 -21.5 -5.3 30 50 A D > - 0 0 81 3,-0.2 3,-1.5 1,-0.1 -3,-1.0 -0.873 58.1-170.0-140.1 105.9 11.0 -18.2 -5.2 31 51 A P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.670 91.1 60.0 -67.4 -17.1 9.9 -15.3 -3.1 32 52 A A T 3 S+ 0 0 85 -6,-0.1 2,-0.6 2,-0.1 -2,-0.0 0.566 90.6 82.8 -85.4 -11.2 12.5 -13.0 -4.8 33 53 A R S < S- 0 0 128 -3,-1.5 -6,-2.4 -6,-0.2 2,-0.3 -0.853 73.0-153.7 -96.0 121.6 10.9 -13.7 -8.1 34 54 A R E -B 26 0B 128 -2,-0.6 2,-0.3 -8,-0.2 -2,-0.1 -0.733 8.2-164.4-101.9 141.9 7.9 -11.4 -8.8 35 55 A L E -B 25 0B 2 -10,-3.3 -10,-2.3 -2,-0.3 2,-0.3 -0.897 7.0-179.2-121.1 151.7 4.9 -12.1 -11.0 36 56 A T E > -B 24 0B 36 -2,-0.3 3,-1.7 -12,-0.2 4,-0.2 -0.872 48.2 -91.0-137.5 173.8 2.2 -9.8 -12.4 37 57 A E G > S+ 0 0 49 -14,-0.6 3,-1.2 -2,-0.3 4,-0.2 0.701 119.7 69.4 -58.8 -21.4 -0.9 -10.1 -14.6 38 58 A A G > S+ 0 0 53 1,-0.3 3,-1.1 2,-0.2 -1,-0.3 0.787 88.9 62.9 -69.7 -26.6 1.4 -9.5 -17.6 39 59 A D G < S+ 0 0 71 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.594 97.4 59.1 -70.8 -9.2 2.9 -12.9 -17.1 40 60 A L G < S+ 0 0 1 -3,-1.2 3,-0.3 -4,-0.2 -1,-0.2 0.490 88.5 98.2 -96.3 -5.2 -0.6 -14.4 -17.8 41 61 A K < + 0 0 114 -3,-1.1 85,-0.2 -4,-0.2 84,-0.1 -0.516 55.7 52.8 -89.2 150.6 -0.8 -12.9 -21.2 42 62 A G S S+ 0 0 50 83,-2.9 83,-0.2 -2,-0.2 -1,-0.2 -0.273 99.0 43.0 130.6 -47.9 -0.1 -14.6 -24.5 43 63 A K S S- 0 0 130 -3,-0.3 2,-0.1 81,-0.2 84,-0.1 -0.936 86.3-100.4-129.7 148.8 -2.2 -17.8 -24.6 44 64 A P + 0 0 12 0, 0.0 29,-0.5 0, 0.0 2,-0.3 -0.473 61.7 161.9 -62.9 144.3 -5.7 -18.8 -23.7 45 65 A A E -dE 73 123C 0 78,-1.7 78,-2.7 -2,-0.1 2,-0.4 -0.961 42.3-108.6-160.7 162.7 -5.3 -20.4 -20.3 46 66 A L E -dE 74 122C 0 27,-2.7 29,-3.0 -2,-0.3 2,-0.5 -0.857 19.7-155.8-102.2 144.8 -6.9 -21.6 -17.1 47 67 A V E -dE 75 121C 0 74,-2.3 74,-2.7 -2,-0.4 2,-0.5 -0.979 17.0-164.4-117.7 111.0 -6.1 -19.9 -13.8 48 68 A N E -dE 76 120C 0 27,-3.0 29,-3.0 -2,-0.5 2,-0.5 -0.859 8.9-150.6-106.2 124.6 -6.7 -22.4 -11.1 49 69 A V E +dE 77 119C 0 70,-3.1 70,-1.0 -2,-0.5 2,-0.3 -0.849 32.9 155.2 -95.5 128.2 -7.0 -21.3 -7.5 50 70 A W E -d 78 0C 0 27,-2.7 29,-2.5 -2,-0.5 2,-0.3 -0.932 23.3-169.2-149.2 166.1 -5.8 -23.9 -5.0 51 71 A G > - 0 0 0 -2,-0.3 3,-1.5 27,-0.2 6,-0.2 -0.982 37.0-118.6-158.1 158.4 -4.4 -24.4 -1.5 52 72 A T T 3 S+ 0 0 33 -2,-0.3 -1,-0.1 1,-0.3 6,-0.1 0.723 115.1 63.8 -68.8 -24.8 -2.8 -27.1 0.5 53 73 A W T 3 S+ 0 0 108 1,-0.1 -1,-0.3 27,-0.1 27,-0.0 0.366 86.9 92.9 -74.2 2.0 -5.8 -26.8 2.8 54 74 A a X> - 0 0 4 -3,-1.5 4,-1.3 1,-0.2 3,-0.6 -0.827 47.5-179.7-115.1 95.5 -8.0 -27.9 -0.0 55 75 A P H 3> S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.857 88.4 58.0 -57.3 -36.2 -8.9 -31.7 -0.3 56 76 A S H 3> S+ 0 0 60 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.806 102.1 55.2 -61.8 -32.6 -11.0 -30.9 -3.5 57 77 A a H <> S+ 0 0 3 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.852 104.2 53.1 -68.4 -38.6 -7.8 -29.4 -5.1 58 78 A R H < S+ 0 0 131 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.907 111.3 47.0 -60.5 -42.4 -5.9 -32.7 -4.5 59 79 A V H < S+ 0 0 109 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.815 110.9 51.3 -69.0 -34.7 -8.7 -34.6 -6.2 60 80 A E H >X S+ 0 0 1 -4,-1.6 4,-1.7 1,-0.2 3,-0.8 0.699 87.9 87.9 -74.0 -23.3 -8.8 -32.1 -9.2 61 81 A H H 3X S+ 0 0 11 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.832 82.0 53.2 -50.9 -48.5 -5.0 -32.4 -9.7 62 82 A P H 3> S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.873 109.2 50.7 -58.1 -36.6 -5.0 -35.4 -12.1 63 83 A E H <> S+ 0 0 18 -3,-0.8 4,-2.0 -4,-0.3 -2,-0.2 0.883 108.3 51.7 -64.9 -38.7 -7.5 -33.7 -14.4 64 84 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.913 111.1 47.9 -66.0 -40.6 -5.4 -30.5 -14.5 65 85 A T H X S+ 0 0 27 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.901 108.1 55.3 -61.7 -45.1 -2.4 -32.6 -15.5 66 86 A R H X S+ 0 0 54 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.867 110.6 45.7 -54.2 -42.4 -4.5 -34.4 -18.1 67 87 A L H ><>S+ 0 0 0 -4,-2.0 5,-2.4 2,-0.2 3,-0.9 0.908 110.6 51.8 -69.9 -42.9 -5.3 -31.0 -19.6 68 88 A A H ><5S+ 0 0 34 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.873 104.3 58.1 -58.8 -39.6 -1.7 -29.8 -19.5 69 89 A E H 3<5S+ 0 0 156 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.732 104.5 52.4 -62.4 -23.9 -0.7 -33.0 -21.3 70 90 A Q T <<5S- 0 0 119 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.256 131.6 -95.8 -97.0 7.5 -3.1 -31.9 -24.1 71 91 A G T < 5S+ 0 0 52 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.578 71.4 152.9 94.5 13.2 -1.3 -28.5 -24.2 72 92 A V < - 0 0 10 -5,-2.4 2,-0.4 -8,-0.1 -1,-0.3 -0.669 41.9-133.9 -79.9 120.6 -3.7 -26.5 -22.0 73 93 A V E -d 45 0C 13 -29,-0.5 -27,-2.7 -2,-0.5 2,-0.4 -0.609 28.5-176.7 -73.9 125.3 -1.8 -23.6 -20.3 74 94 A I E -d 46 0C 0 22,-0.4 24,-2.8 -2,-0.4 25,-0.6 -0.995 11.6-165.3-131.8 126.0 -2.7 -23.5 -16.6 75 95 A Y E -df 47 99C 17 -29,-3.0 -27,-3.0 -2,-0.4 2,-0.5 -0.888 16.1-139.2-109.2 143.8 -1.5 -20.9 -14.1 76 96 A G E -df 48 100C 0 23,-3.3 25,-3.4 -2,-0.4 2,-0.6 -0.887 10.6-162.4-109.6 129.4 -1.9 -21.5 -10.4 77 97 A I E -df 49 101C 0 -29,-3.0 -27,-2.7 -2,-0.5 2,-1.0 -0.950 13.4-153.5-102.4 108.9 -2.9 -19.1 -7.7 78 98 A N E -df 50 102C 2 23,-3.0 25,-2.6 -2,-0.6 2,-0.5 -0.742 22.8-153.9 -81.7 103.5 -1.8 -20.5 -4.3 79 99 A Y E - f 0 103C 28 -29,-2.5 25,-0.2 -2,-1.0 -27,-0.1 -0.732 54.1 -30.7 -98.4 122.0 -4.5 -18.8 -2.2 80 100 A K S S+ 0 0 121 23,-2.4 2,-0.2 -2,-0.5 -1,-0.2 0.864 100.1 141.1 44.0 55.4 -4.0 -18.1 1.6 81 101 A D - 0 0 26 -3,-0.4 2,-0.6 -31,-0.1 -1,-0.2 -0.677 63.6 -91.8-124.4 167.6 -1.7 -21.1 2.1 82 102 A D > - 0 0 95 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.782 33.7-149.0 -80.1 119.8 1.4 -22.2 3.8 83 103 A N H > S+ 0 0 60 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.886 95.4 49.7 -61.7 -45.7 4.3 -21.6 1.4 84 104 A A H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.881 113.8 47.0 -56.9 -44.1 6.4 -24.5 2.6 85 105 A A H > S+ 0 0 20 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.895 111.0 52.0 -65.6 -43.3 3.4 -26.8 2.3 86 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.889 107.0 52.6 -59.4 -43.1 2.6 -25.4 -1.2 87 107 A I H X S+ 0 0 43 -4,-2.5 4,-0.9 2,-0.2 -1,-0.2 0.919 108.2 52.1 -62.2 -46.8 6.2 -26.0 -2.4 88 108 A K H >X S+ 0 0 139 -4,-1.9 4,-3.6 1,-0.2 3,-0.7 0.902 107.6 51.4 -49.0 -48.5 5.9 -29.6 -1.2 89 109 A W H 3X S+ 0 0 29 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.877 108.5 50.6 -57.0 -44.4 2.7 -30.1 -3.2 90 110 A L H 3<>S+ 0 0 8 -4,-2.0 5,-0.5 1,-0.2 -1,-0.2 0.640 120.3 37.8 -71.4 -16.2 4.3 -28.7 -6.3 91 111 A N H <<5S+ 0 0 109 -4,-0.9 -2,-0.2 -3,-0.7 -3,-0.2 0.829 115.6 47.7 -96.3 -47.5 7.2 -31.2 -5.8 92 112 A E H <5S+ 0 0 85 -4,-3.6 -3,-0.2 -5,-0.1 2,-0.2 0.840 117.2 43.6 -67.4 -34.3 5.4 -34.3 -4.4 93 113 A L T <5S- 0 0 67 -4,-1.8 2,-1.1 -5,-0.3 0, 0.0 -0.522 104.0 -83.5-107.9 177.7 2.8 -34.2 -7.2 94 114 A H T 5 - 0 0 60 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.1 -0.677 45.1-133.7 -91.5 98.4 3.0 -33.6 -10.9 95 115 A N < + 0 0 61 -2,-1.1 -5,-0.1 -5,-0.5 -1,-0.1 -0.269 29.1 174.6 -58.9 116.0 3.0 -29.8 -11.4 96 116 A P + 0 0 8 0, 0.0 -22,-0.4 0, 0.0 2,-0.4 0.479 50.1 102.5 -93.3 -5.5 0.6 -28.9 -14.2 97 117 A Y - 0 0 14 1,-0.1 -22,-0.2 -24,-0.1 3,-0.1 -0.676 54.3-163.3 -92.2 129.3 1.1 -25.1 -13.6 98 118 A L S S+ 0 0 113 -24,-2.8 2,-0.3 -2,-0.4 -23,-0.2 0.743 88.0 19.2 -74.1 -25.6 3.3 -23.0 -15.9 99 119 A L E - f 0 75C 21 -25,-0.6 -23,-3.3 2,-0.0 2,-0.5 -0.989 66.8-153.6-145.0 145.8 3.3 -20.3 -13.1 100 120 A S E - f 0 76C 5 -2,-0.3 -72,-2.4 -25,-0.2 2,-0.5 -0.924 13.9-160.4-125.3 100.2 2.6 -20.5 -9.4 101 121 A I E -Cf 27 77C 1 -25,-3.4 -23,-3.0 -2,-0.5 2,-0.8 -0.715 10.8-142.5 -85.2 122.0 1.4 -17.3 -7.9 102 122 A S E + f 0 78C 11 -76,-2.6 2,-0.6 -2,-0.5 3,-0.2 -0.769 23.6 173.7 -85.8 108.9 1.8 -16.9 -4.1 103 123 A D E > + f 0 79C 0 -25,-2.6 -23,-2.4 -2,-0.8 3,-0.5 -0.629 10.0 162.8-113.4 68.8 -1.3 -15.0 -2.9 104 124 A A T 3 S+ 0 0 54 -2,-0.6 -1,-0.2 1,-0.3 -25,-0.1 0.754 75.4 36.3 -70.5 -26.0 -0.6 -15.4 0.8 105 125 A D T 3 S- 0 0 137 -3,-0.2 -1,-0.3 -25,-0.1 -26,-0.1 0.500 106.8-122.3-102.3 -8.6 -2.9 -12.6 2.0 106 126 A G <> + 0 0 3 -3,-0.5 4,-2.9 -28,-0.2 8,-0.1 0.580 68.3 134.8 83.5 11.6 -5.6 -13.3 -0.7 107 127 A T H > S+ 0 0 76 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.815 76.2 46.5 -66.7 -32.3 -5.6 -9.8 -2.2 108 128 A L H > S+ 0 0 1 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.940 113.1 49.4 -70.1 -48.0 -5.6 -11.2 -5.7 109 129 A G H >>S+ 0 0 0 1,-0.2 5,-2.8 2,-0.2 4,-1.3 0.871 105.9 60.2 -53.1 -38.6 -8.3 -13.7 -4.8 110 130 A L H ><5S+ 0 0 120 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.927 106.7 43.4 -55.9 -49.5 -10.2 -10.7 -3.3 111 131 A D H 3<5S+ 0 0 86 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.710 114.0 53.0 -69.1 -23.3 -10.3 -8.9 -6.7 112 132 A L H 3<5S- 0 0 2 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.646 113.3-114.5 -84.6 -17.8 -11.2 -12.2 -8.4 113 133 A G T <<5 + 0 0 1 -4,-1.3 2,-0.2 -3,-0.6 -3,-0.2 0.748 54.3 169.9 83.1 29.2 -14.2 -12.9 -6.1 114 134 A V < + 0 0 8 -5,-2.8 -1,-0.2 -8,-0.1 3,-0.1 -0.534 17.2 162.9 -75.2 134.7 -12.5 -16.0 -4.7 115 135 A Y - 0 0 104 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.182 66.6 -27.6-136.6 16.6 -14.2 -17.6 -1.7 116 136 A G S S- 0 0 19 19,-0.0 -1,-0.2 -62,-0.0 3,-0.1 -0.977 82.7 -28.7 167.4-155.9 -12.6 -21.1 -1.6 117 137 A A S S+ 0 0 24 -2,-0.3 -61,-0.2 1,-0.2 -67,-0.1 -0.979 91.3 24.1-157.6 157.4 -11.0 -23.6 -3.9 118 138 A P + 0 0 2 0, 0.0 17,-2.3 0, 0.0 2,-0.3 0.639 68.0 156.5 -77.8 155.6 -10.7 -24.9 -6.4 119 139 A E E -EG 49 134C 3 -70,-1.0 -70,-3.1 15,-0.2 2,-0.5 -0.990 22.2-157.2-136.6 142.0 -11.9 -22.2 -8.7 120 140 A T E -EG 48 133C 0 13,-2.7 13,-3.1 -2,-0.3 2,-0.5 -0.974 4.6-163.7-129.4 125.3 -10.9 -21.9 -12.3 121 141 A Y E -EG 47 132C 1 -74,-2.7 -74,-2.3 -2,-0.5 2,-0.6 -0.893 11.8-147.3-103.0 129.6 -10.9 -18.9 -14.6 122 142 A L E -EG 46 131C 0 9,-2.6 8,-3.3 -2,-0.5 9,-1.2 -0.877 24.2-174.9 -91.4 125.0 -10.7 -19.2 -18.3 123 143 A I E -EG 45 129C 0 -78,-2.7 -78,-1.7 -2,-0.6 6,-0.2 -0.855 18.6-131.6-116.7 154.9 -8.8 -16.3 -19.9 124 144 A D > - 0 0 5 4,-2.1 3,-2.3 -2,-0.3 -81,-0.2 -0.399 44.3 -87.6 -90.4 179.4 -8.1 -15.3 -23.4 125 145 A K T 3 S+ 0 0 95 1,-0.3 -83,-2.9 28,-0.2 -82,-0.1 0.711 128.6 57.9 -66.6 -15.4 -4.6 -14.4 -24.7 126 146 A Q T 3 S- 0 0 100 -85,-0.2 -1,-0.3 2,-0.1 -85,-0.1 0.420 120.2-109.3 -85.8 -2.5 -5.1 -10.7 -23.7 127 147 A G < + 0 0 3 -3,-2.3 -107,-2.3 1,-0.3 2,-0.4 0.580 69.7 147.8 81.9 11.9 -5.7 -11.9 -20.1 128 148 A I B -A 19 0A 35 -109,-0.3 -4,-2.1 1,-0.1 -1,-0.3 -0.660 51.8-116.7 -83.6 133.0 -9.4 -11.1 -20.3 129 149 A I E +G 123 0C 1 -111,-2.9 -112,-2.8 -114,-0.4 -111,-0.4 -0.513 37.5 169.1 -73.7 132.1 -11.7 -13.4 -18.2 130 150 A R E + 0 0 90 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.566 62.5 2.2-120.3 -18.9 -14.1 -15.4 -20.3 131 151 A H E -G 122 0C 55 -9,-1.2 -9,-2.6 -116,-0.1 -1,-0.4 -0.970 53.8-150.9-166.6 153.0 -15.5 -17.9 -17.8 132 152 A K E -G 121 0C 5 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.996 5.7-162.8-133.6 130.0 -15.3 -19.0 -14.1 133 153 A I E -G 120 0C 6 -13,-3.1 -13,-2.7 -2,-0.4 2,-0.5 -0.950 8.8-153.5-106.6 128.0 -15.9 -22.4 -12.7 134 154 A V E +G 119 0C 61 -2,-0.5 -15,-0.2 -15,-0.2 2,-0.1 -0.908 63.6 3.8 -97.7 125.8 -16.6 -22.8 -9.0 135 155 A G S S- 0 0 24 -17,-2.3 -15,-0.2 -2,-0.5 -2,-0.1 -0.214 109.3 -8.5 90.0 178.0 -15.5 -26.1 -7.6 136 156 A V - 0 0 51 -19,-0.1 2,-0.7 1,-0.1 5,-0.1 -0.132 55.3-143.9 -55.5 127.8 -13.7 -29.2 -9.1 137 157 A V + 0 0 0 -4,-0.1 2,-0.2 4,-0.1 -74,-0.1 -0.864 29.5 170.5 -87.9 113.9 -13.1 -29.3 -12.8 138 158 A D > - 0 0 77 -2,-0.7 4,-2.8 -75,-0.1 5,-0.2 -0.509 52.7 -84.5-106.6-171.3 -13.5 -32.9 -14.0 139 159 A Q H > S+ 0 0 113 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.883 129.7 49.2 -59.5 -44.3 -13.7 -34.3 -17.6 140 160 A K H > S+ 0 0 106 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.927 111.6 46.2 -59.3 -52.9 -17.3 -33.6 -17.7 141 161 A V H >>S+ 0 0 22 2,-0.2 4,-3.3 1,-0.2 5,-0.8 0.934 116.3 47.4 -55.4 -48.0 -17.1 -30.0 -16.5 142 162 A W H X>S+ 0 0 27 -4,-2.8 5,-4.2 3,-0.2 4,-1.5 0.959 113.6 47.1 -59.8 -52.2 -14.2 -29.4 -18.9 143 163 A R H <5S+ 0 0 138 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.871 127.8 24.3 -57.8 -45.0 -16.0 -31.0 -21.9 144 164 A E H <5S+ 0 0 104 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.796 130.8 32.5 -88.7 -33.2 -19.2 -29.1 -21.3 145 165 A Q H <5S+ 0 0 93 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.602 132.5 11.9-113.0 -19.1 -18.4 -26.0 -19.4 146 166 A L T X S+ 0 0 63 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.888 116.2 41.8 -61.0 -42.5 -16.2 -25.2 -26.2 149 169 A L H > S+ 0 0 57 -3,-0.4 4,-1.7 2,-0.2 -2,-0.2 0.881 112.2 54.3 -71.7 -41.4 -15.2 -21.7 -25.1 150 170 A Y H X S+ 0 0 22 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.908 106.5 52.5 -58.8 -44.3 -11.5 -22.6 -24.8 151 171 A Q H X S+ 0 0 101 -4,-2.5 4,-1.2 -5,-0.2 3,-0.3 0.880 106.8 53.0 -58.4 -41.5 -11.5 -23.9 -28.4 152 172 A Q H < S+ 0 0 133 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.866 105.9 54.2 -59.3 -39.6 -13.1 -20.6 -29.6 153 173 A L H < S+ 0 0 36 -4,-1.7 -28,-0.2 1,-0.2 -1,-0.2 0.765 105.2 53.1 -70.8 -26.5 -10.2 -18.6 -27.9 154 174 A L H < 0 0 82 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.813 360.0 360.0 -71.6 -33.5 -7.6 -20.7 -29.8 155 175 A D < 0 0 145 -4,-1.2 -3,-0.1 -3,-0.1 0, 0.0 0.121 360.0 360.0 -85.8 360.0 -9.2 -19.9 -33.1