==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 31-MAR-08 2VRB . COMPND 2 MOLECULE: TRIPHENYLMETHANE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CITROBACTER SP. MY-5; . AUTHOR Y.KIM,H.J.PARK,S.N.KWAK,J.S.LEE,T.K.OH,M.H.KIM . 284 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.8 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 1 1 2 1 0 1 1 2 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 2 A S 0 0 60 0, 0.0 67,-2.5 0, 0.0 66,-0.8 0.000 360.0 360.0 360.0 113.4 -15.4 28.3 -2.4 2 3 A I E -ab 28 68A 11 25,-2.9 27,-2.6 65,-0.2 2,-0.4 -0.930 360.0-167.5-117.9 119.1 -11.9 26.8 -2.1 3 4 A A E -ab 29 69A 0 65,-2.8 67,-3.0 -2,-0.5 2,-0.4 -0.854 1.2-165.8-108.9 146.5 -9.0 28.7 -0.5 4 5 A V E -ab 30 70A 0 25,-2.0 27,-2.6 -2,-0.4 3,-0.5 -0.991 6.4-154.2-135.0 118.3 -5.4 27.8 -0.6 5 6 A T S S+ 0 0 0 65,-2.6 27,-0.2 -2,-0.4 68,-0.1 -0.428 82.5 37.2 -84.8 169.9 -2.7 29.2 1.6 6 7 A G S > S+ 0 0 27 25,-0.4 3,-1.7 -2,-0.1 6,-0.6 0.795 76.7 157.6 60.3 27.8 0.9 29.3 0.5 7 8 A A T 3 + 0 0 1 24,-1.5 9,-0.1 -3,-0.5 25,-0.1 0.676 66.0 47.4 -67.8 -22.7 -0.5 30.0 -2.9 8 9 A T T 3 S+ 0 0 60 23,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.494 97.1 94.2 -94.2 -3.9 2.6 31.6 -4.4 9 10 A G S <> S- 0 0 37 -3,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.186 93.7 -98.3 -75.3 177.6 4.8 28.8 -3.1 10 11 A Q H > S+ 0 0 131 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.963 119.7 38.3 -67.8 -50.5 5.7 25.8 -5.2 11 12 A L H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.945 118.0 48.8 -64.8 -53.8 3.1 23.3 -3.8 12 13 A G H > S+ 0 0 1 -6,-0.6 4,-2.3 2,-0.2 -5,-0.2 0.874 108.5 54.1 -56.0 -43.2 0.3 25.9 -3.6 13 14 A G H X S+ 0 0 20 -4,-2.1 4,-1.9 -7,-0.4 -1,-0.2 0.930 111.2 46.1 -55.2 -45.2 0.9 27.2 -7.1 14 15 A L H X S+ 0 0 56 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.869 108.7 55.4 -67.5 -38.4 0.6 23.6 -8.4 15 16 A V H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.955 108.8 48.1 -55.1 -49.1 -2.6 23.0 -6.4 16 17 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.884 109.3 52.1 -62.4 -42.1 -4.2 26.0 -8.0 17 18 A Q H X S+ 0 0 81 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.892 112.9 46.1 -62.8 -38.8 -3.2 24.9 -11.4 18 19 A H H >< S+ 0 0 18 -4,-2.3 3,-0.7 2,-0.2 4,-0.3 0.894 112.5 49.3 -66.0 -41.4 -4.8 21.5 -10.7 19 20 A L H >X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 3,-1.4 0.834 102.7 63.0 -64.5 -34.0 -7.9 23.1 -9.2 20 21 A L H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 99.8 54.3 -63.4 -23.4 -8.1 25.3 -12.3 21 22 A K T << S+ 0 0 163 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.596 118.8 33.8 -82.2 -9.8 -8.6 22.1 -14.4 22 23 A K T <4 S+ 0 0 97 -3,-1.4 -2,-0.2 -4,-0.3 -3,-0.1 0.663 121.1 29.1-118.9 -29.1 -11.6 21.1 -12.1 23 24 A V S < S- 0 0 25 -4,-2.8 -1,-0.2 2,-0.0 5,-0.1 -0.948 85.6 -93.3-133.7 155.4 -13.4 24.3 -11.1 24 25 A P > - 0 0 68 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.365 39.5-116.8 -61.5 152.5 -14.0 27.8 -12.5 25 26 A A G > S+ 0 0 20 1,-0.3 3,-1.6 2,-0.2 22,-0.6 0.777 108.6 77.4 -61.7 -25.5 -11.4 30.3 -11.3 26 27 A S G 3 S+ 0 0 91 1,-0.3 -1,-0.3 20,-0.1 21,-0.2 0.849 92.4 49.3 -48.3 -43.8 -14.3 32.1 -9.6 27 28 A Q G < S+ 0 0 85 -3,-1.2 -25,-2.9 -26,-0.1 2,-0.4 0.523 93.8 90.0 -81.9 -8.2 -14.4 29.6 -6.7 28 29 A I E < -a 2 0A 0 -3,-1.6 19,-1.8 -4,-0.3 2,-0.5 -0.782 53.5-169.2 -98.5 131.4 -10.7 29.7 -5.9 29 30 A I E -ac 3 47A 6 -27,-2.6 -25,-2.0 -2,-0.4 2,-0.6 -0.979 10.7-151.2-116.9 124.6 -9.1 32.1 -3.4 30 31 A A E -ac 4 48A 0 17,-3.8 19,-3.1 -2,-0.5 2,-0.5 -0.883 8.9-160.1 -92.6 122.2 -5.4 32.4 -3.2 31 32 A I E + c 0 49A 2 -27,-2.6 -24,-1.5 -2,-0.6 -25,-0.4 -0.919 24.3 167.1-108.6 130.5 -4.3 33.4 0.3 32 33 A V E - c 0 50A 2 17,-2.4 19,-3.0 -2,-0.5 3,-0.2 -0.945 45.9-140.5-150.7 146.9 -0.9 34.9 0.1 33 34 A R S S+ 0 0 171 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.919 99.3 43.3 -78.5 -46.1 1.7 36.8 2.2 34 35 A N >> - 0 0 70 1,-0.2 3,-0.7 17,-0.1 4,-0.6 -0.878 66.3-168.9-110.8 105.9 2.9 39.0 -0.7 35 36 A V G >4 S+ 0 0 78 -2,-0.7 3,-0.7 1,-0.2 -1,-0.2 0.812 84.8 59.5 -67.2 -33.2 0.0 40.3 -2.8 36 37 A E G >4 S+ 0 0 166 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.805 100.2 57.0 -65.3 -29.9 2.3 41.6 -5.6 37 38 A K G <4 S+ 0 0 143 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.722 99.6 62.4 -69.6 -22.3 3.7 38.1 -6.2 38 39 A A G S+ 0 0 63 -3,-1.0 4,-1.8 1,-0.2 5,-0.2 0.947 76.2 55.6 -63.4 -49.6 -0.5 39.0 -9.9 40 41 A T H > S+ 0 0 81 -3,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.799 108.3 50.9 -48.6 -35.7 -0.2 36.1 -12.4 41 42 A L H 4>S+ 0 0 9 -3,-0.3 5,-1.3 2,-0.2 3,-0.5 0.908 108.5 50.2 -67.7 -43.7 -2.9 34.3 -10.3 42 43 A A H <5S+ 0 0 55 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.731 102.0 61.5 -69.5 -22.7 -5.1 37.3 -10.5 43 44 A D H <5S+ 0 0 137 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.786 103.5 57.9 -72.2 -31.8 -4.6 37.4 -14.3 44 45 A Q T <5S- 0 0 61 -4,-0.9 -3,-0.0 -3,-0.5 0, 0.0 -0.287 123.6 -90.4 -75.0 179.0 -6.2 33.9 -14.2 45 46 A G T 5S+ 0 0 52 -2,-0.1 2,-0.3 2,-0.1 -3,-0.2 0.402 84.9 130.8 -78.9 12.2 -9.6 34.2 -12.7 46 47 A V < - 0 0 5 -5,-1.3 2,-0.2 1,-0.1 -17,-0.2 -0.447 56.5-130.4 -81.0 126.1 -8.3 33.6 -9.1 47 48 A E E -c 29 0A 85 -19,-1.8 -17,-3.8 -22,-0.6 2,-0.4 -0.515 23.3-150.2 -68.6 131.4 -9.3 35.9 -6.2 48 49 A V E +c 30 0A 39 -2,-0.2 2,-0.4 -19,-0.2 -17,-0.2 -0.887 16.5 179.6-104.5 135.2 -6.2 37.0 -4.2 49 50 A R E -c 31 0A 60 -19,-3.1 -17,-2.4 -2,-0.4 2,-0.4 -0.993 28.9-118.8-130.9 145.3 -6.3 37.8 -0.5 50 51 A H E +c 32 0A 78 -2,-0.4 2,-0.3 -19,-0.2 12,-0.3 -0.668 40.5 160.0 -74.1 126.9 -3.6 38.9 1.9 51 52 A G - 0 0 4 -19,-3.0 2,-0.4 -2,-0.4 -17,-0.1 -0.862 14.6-175.7-150.1 117.9 -3.0 36.5 4.7 52 53 A D > - 0 0 19 3,-0.4 3,-2.1 -2,-0.3 7,-0.4 -0.958 23.7-142.8-112.7 128.2 0.1 36.4 6.9 53 54 A Y T 3 S+ 0 0 30 -2,-0.4 35,-0.2 1,-0.3 36,-0.1 0.664 102.5 58.1 -63.7 -16.1 0.5 33.6 9.5 54 55 A N T 3 S+ 0 0 82 1,-0.2 -1,-0.3 34,-0.1 31,-0.0 0.501 100.5 63.4 -87.3 -5.6 2.2 36.1 11.8 55 56 A Q X> - 0 0 95 -3,-2.1 4,-1.5 1,-0.2 3,-0.6 -0.850 60.4-171.7-129.0 91.8 -0.8 38.4 11.7 56 57 A P H 3> S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.836 87.1 58.2 -43.0 -46.5 -4.1 37.0 13.2 57 58 A E H 3> S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 104.1 50.9 -57.8 -43.2 -6.1 40.0 12.0 58 59 A S H <> S+ 0 0 12 -3,-0.6 4,-3.0 1,-0.2 -1,-0.2 0.910 110.0 50.2 -60.0 -45.2 -5.1 39.3 8.3 59 60 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 -7,-0.4 -2,-0.2 0.865 105.7 56.2 -61.4 -39.5 -6.2 35.7 8.6 60 61 A Q H < S+ 0 0 104 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.957 114.4 39.8 -54.8 -52.9 -9.6 36.7 10.1 61 62 A K H >< S+ 0 0 160 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.946 115.2 51.8 -61.5 -50.6 -10.2 38.8 7.0 62 63 A A H 3< S+ 0 0 2 -4,-3.0 -1,-0.2 -12,-0.3 -2,-0.2 0.785 111.7 45.6 -58.3 -36.1 -8.7 36.3 4.5 63 64 A F T >< S+ 0 0 0 -4,-2.2 3,-2.0 -5,-0.2 -1,-0.3 0.481 80.6 131.7 -90.7 -3.0 -10.7 33.3 5.7 64 65 A A T < S- 0 0 52 -3,-1.2 33,-0.1 -4,-0.5 32,-0.1 -0.280 84.1 -5.6 -55.7 123.9 -14.1 35.2 5.8 65 66 A G T 3 S+ 0 0 72 31,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.552 92.0 148.4 67.9 11.3 -16.8 33.2 4.1 66 67 A V < - 0 0 4 -3,-2.0 33,-0.6 1,-0.1 -1,-0.2 -0.615 30.4-167.6 -80.5 134.8 -14.5 30.4 2.9 67 68 A S S S+ 0 0 42 -66,-0.8 33,-1.4 -2,-0.3 32,-1.2 0.933 74.0 23.6 -81.3 -55.7 -16.0 27.0 2.6 68 69 A K E S-bd 2 100A 31 -67,-2.5 -65,-2.8 31,-0.2 2,-0.5 -0.966 70.0-164.9-120.2 130.7 -13.0 24.7 2.2 69 70 A L E -bd 3 101A 0 31,-3.0 33,-3.0 -2,-0.5 2,-0.7 -0.932 11.0-159.3-119.2 127.5 -9.5 25.7 3.3 70 71 A L E -bd 4 102A 0 -67,-3.0 -65,-2.6 -2,-0.5 2,-0.9 -0.922 13.5-161.6-101.8 110.0 -6.3 24.1 2.2 71 72 A F E - d 0 103A 0 31,-3.2 33,-1.8 -2,-0.7 2,-0.5 -0.815 4.3-164.5 -92.9 101.9 -3.8 25.0 4.9 72 73 A I - 0 0 16 -2,-0.9 33,-0.1 31,-0.2 -66,-0.1 -0.809 30.5-105.8 -88.1 130.1 -0.3 24.4 3.4 73 74 A S - 0 0 23 31,-0.5 -1,-0.1 -2,-0.5 32,-0.0 -0.007 33.1-102.6 -57.7 155.7 2.3 24.3 6.1 74 75 A G - 0 0 7 8,-0.1 -1,-0.1 1,-0.1 8,-0.0 -0.472 17.3-142.5 -74.1 151.0 4.8 27.2 6.7 75 76 A P + 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.437 51.5 137.4 -90.4 3.2 8.4 26.8 5.5 76 77 A H - 0 0 91 1,-0.1 6,-0.0 2,-0.1 -2,-0.0 -0.074 52.4-142.0 -54.9 147.3 10.0 28.6 8.5 77 78 A Y S S+ 0 0 134 1,-0.1 2,-1.1 2,-0.0 -1,-0.1 0.722 84.8 83.9 -77.2 -24.5 13.1 27.0 9.9 78 79 A D > - 0 0 79 1,-0.2 4,-2.5 2,-0.1 5,-0.1 -0.709 62.1-170.7 -83.0 100.2 12.2 27.8 13.5 79 80 A N H > S+ 0 0 45 -2,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.819 83.9 53.5 -60.7 -36.6 9.8 24.9 14.4 80 81 A T H > S+ 0 0 111 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.903 111.1 46.7 -69.5 -40.4 8.7 26.5 17.7 81 82 A L H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.927 107.0 58.3 -61.6 -45.3 7.7 29.7 15.8 82 83 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.854 100.8 56.6 -54.6 -37.0 6.0 27.5 13.2 83 84 A I H X S+ 0 0 66 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.908 107.8 47.6 -62.1 -43.2 3.7 26.1 16.0 84 85 A V H X S+ 0 0 82 -4,-1.3 4,-2.0 -3,-0.3 -2,-0.2 0.949 113.7 47.5 -58.4 -50.4 2.6 29.6 16.9 85 86 A Q H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.939 113.7 46.6 -57.3 -50.9 1.9 30.5 13.2 86 87 A H H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.915 110.9 52.7 -61.0 -43.3 -0.0 27.3 12.6 87 88 A A H X S+ 0 0 48 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.864 109.0 50.1 -57.9 -39.9 -2.0 27.8 15.9 88 89 A N H X S+ 0 0 42 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.896 111.3 49.4 -61.1 -47.2 -2.9 31.3 14.7 89 90 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.959 111.7 46.9 -60.2 -50.8 -4.0 29.9 11.4 90 91 A V H X S+ 0 0 7 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.874 113.1 49.4 -61.5 -37.8 -6.2 27.2 13.0 91 92 A K H X S+ 0 0 115 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.899 110.1 51.0 -72.3 -36.6 -7.8 29.7 15.4 92 93 A A H X S+ 0 0 6 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.887 110.0 50.0 -63.1 -40.1 -8.5 32.1 12.5 93 94 A A H <>S+ 0 0 1 -4,-2.2 5,-2.4 2,-0.2 4,-0.4 0.874 111.4 48.4 -68.3 -39.5 -10.2 29.3 10.5 94 95 A R H ><5S+ 0 0 121 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.932 114.4 46.1 -62.4 -48.5 -12.4 28.3 13.5 95 96 A D H 3<5S+ 0 0 75 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.845 110.6 53.6 -64.7 -34.4 -13.4 31.9 14.1 96 97 A A T 3<5S- 0 0 29 -4,-2.2 -31,-0.6 -5,-0.2 -1,-0.3 0.573 112.4-120.1 -77.4 -7.4 -14.1 32.4 10.4 97 98 A G T < 5 - 0 0 30 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.796 39.3-173.4 70.1 29.4 -16.4 29.4 10.4 98 99 A V < - 0 0 5 -5,-2.4 -31,-0.2 -6,-0.1 -1,-0.2 -0.323 13.8-151.4 -51.2 134.5 -14.4 27.5 7.7 99 100 A K S S+ 0 0 127 -32,-1.2 2,-0.3 -33,-0.6 -31,-0.2 0.690 72.1 13.8 -92.1 -23.1 -16.4 24.4 6.9 100 101 A H E -d 68 0A 44 -33,-1.4 -31,-3.0 32,-0.1 2,-0.4 -0.965 65.4-164.4-150.6 137.1 -13.7 21.9 5.9 101 102 A I E -de 69 134A 4 32,-2.2 34,-1.7 -2,-0.3 2,-0.4 -0.989 4.1-170.0-127.4 133.6 -10.0 22.1 6.4 102 103 A A E -de 70 135A 3 -33,-3.0 -31,-3.2 -2,-0.4 2,-0.4 -0.942 11.2-165.9-113.0 141.4 -7.2 20.1 4.7 103 104 A Y E -de 71 136A 0 32,-2.2 34,-2.6 -2,-0.4 2,-1.1 -0.995 21.3-131.3-131.4 132.6 -3.7 20.4 6.1 104 105 A T E + e 0 137A 8 -33,-1.8 -31,-0.5 -2,-0.4 34,-0.2 -0.708 44.7 160.0 -84.5 98.0 -0.5 19.2 4.5 105 106 A G E - e 0 138A 6 32,-1.5 34,-0.9 -2,-1.1 2,-0.4 0.276 41.4 -84.0 -95.4-143.4 1.3 17.2 7.2 106 107 A Y E > - e 0 139A 27 32,-0.3 3,-1.2 11,-0.1 34,-0.2 -1.000 40.9-107.6-142.9 128.0 4.0 14.6 7.1 107 108 A A T 3 S- 0 0 7 32,-1.6 89,-0.1 -2,-0.4 32,-0.1 -0.274 98.0 -0.7 -59.2 138.7 3.6 10.9 6.5 108 109 A F T > S+ 0 0 36 1,-0.1 3,-2.0 30,-0.1 4,-0.3 0.802 80.1 165.0 53.1 34.5 4.0 8.5 9.4 109 110 A A G X + 0 0 2 -3,-1.2 3,-1.9 1,-0.3 5,-0.1 0.811 64.1 65.8 -52.4 -35.8 4.8 11.5 11.6 110 111 A E G 3 S+ 0 0 105 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.738 107.1 42.6 -63.4 -21.2 4.4 9.5 14.9 111 112 A E G < S+ 0 0 107 -3,-2.0 -1,-0.3 147,-0.1 -2,-0.2 0.286 91.5 118.8-105.9 4.0 7.4 7.4 13.9 112 113 A S < - 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0 0 5 -2,-0.5 2,-0.3 -11,-0.4 -61,-0.3 -0.980 11.3-165.5-127.3 135.6 27.7 8.1 -11.5 221 222 A V E -h 159 0C 58 -63,-2.1 -61,-2.3 -2,-0.4 2,-0.6 -0.846 29.4-108.8-114.2 154.1 27.9 6.2 -8.2 222 223 A H E -h 160 0C 17 -2,-0.3 -61,-0.2 -63,-0.2 -16,-0.1 -0.759 30.4-163.9 -74.1 123.4 26.3 6.7 -4.9 223 224 A Q E -h 161 0C 95 -63,-2.9 -61,-1.3 -2,-0.6 2,-0.2 -0.837 7.6-161.0-104.7 92.3 29.1 7.9 -2.5 224 225 A P E +h 162 0C 74 0, 0.0 -61,-0.2 0, 0.0 2,-0.2 -0.564 17.5 171.5 -80.2 138.2 27.7 7.4 1.0 225 226 A V - 0 0 32 -63,-2.7 -60,-0.2 -2,-0.2 2,-0.1 -0.715 33.8 -81.3-130.6 179.3 29.6 9.5 3.7 226 227 A S > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.1 -0.315 43.9-101.6 -79.4 168.5 29.1 10.3 7.4 227 228 A F H > S+ 0 0 54 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.918 122.9 45.4 -52.5 -49.3 27.0 13.1 8.8 228 229 A E H > S+ 0 0 105 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.860 111.0 51.9 -71.7 -36.1 29.9 15.4 9.3 229 230 A E H > S+ 0 0 111 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.909 110.6 50.9 -62.7 -38.3 31.4 14.7 5.9 230 231 A E H X S+ 0 0 1 -4,-2.3 4,-3.3 2,-0.2 -2,-0.2 0.978 109.9 46.8 -61.4 -60.2 28.0 15.6 4.3 231 232 A K H X S+ 0 0 34 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.843 115.3 48.4 -49.6 -39.7 27.6 18.9 6.1 232 233 A N H X S+ 0 0 99 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.969 110.7 49.3 -67.1 -53.3 31.2 19.7 5.1 233 234 A F H X S+ 0 0 89 -4,-3.1 4,-0.8 1,-0.2 -2,-0.2 0.934 115.6 45.6 -42.5 -55.1 30.6 18.7 1.5 234 235 A L H ><>S+ 0 0 20 -4,-3.3 5,-2.0 1,-0.2 3,-0.9 0.913 111.7 48.8 -62.1 -51.0 27.4 20.9 1.6 235 236 A V H ><5S+ 0 0 61 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.926 111.8 50.6 -57.6 -44.0 28.9 24.0 3.2 236 237 A N H 3<5S+ 0 0 139 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.620 103.5 58.8 -77.2 -5.8 31.9 23.9 0.9 237 238 A A T <<5S- 0 0 67 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.186 130.2 -91.0 -99.5 10.8 29.6 23.7 -2.2 238 239 A G T < 5S+ 0 0 66 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.2 0.762 80.3 141.9 87.5 27.4 27.9 27.0 -1.2 239 240 A V < - 0 0 33 -5,-2.0 -1,-0.2 -6,-0.1 5,-0.1 -0.906 55.2-117.9 -99.5 112.9 25.1 25.6 1.0 240 241 A P >> - 0 0 89 0, 0.0 4,-2.0 0, 0.0 3,-1.7 -0.195 28.9-107.2 -58.5 139.3 24.6 27.9 4.0 241 242 A E H 3> S+ 0 0 92 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.690 112.7 49.1 -39.3 -55.8 25.2 26.3 7.4 242 243 A P H 3> S+ 0 0 77 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.851 115.8 44.3 -59.0 -36.0 21.6 25.9 8.7 243 244 A F H <> S+ 0 0 75 -3,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.915 110.2 54.7 -75.3 -41.9 20.3 24.4 5.5 244 245 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.909 111.5 46.4 -52.1 -47.8 23.4 22.1 5.2 245 246 A E H X S+ 0 0 70 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.888 111.1 51.4 -57.6 -46.8 22.5 20.8 8.7 246 247 A I H X S+ 0 0 69 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.934 113.2 46.0 -56.6 -45.7 18.9 20.4 7.8 247 248 A T H X S+ 0 0 9 -4,-3.0 4,-2.4 1,-0.2 3,-0.2 0.933 111.2 49.4 -67.9 -50.1 19.9 18.4 4.7 248 249 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.862 111.1 52.5 -54.9 -37.2 22.4 16.2 6.5 249 250 A A H X S+ 0 0 32 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.845 107.6 50.4 -71.0 -32.9 19.7 15.5 9.2 250 251 A I H X S+ 0 0 24 -4,-1.6 4,-2.4 -3,-0.2 -2,-0.2 0.937 113.6 45.2 -69.0 -43.3 17.2 14.5 6.6 251 252 A Y H X S+ 0 0 27 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.877 111.0 53.6 -66.2 -37.7 19.7 12.1 5.0 252 253 A D H X S+ 0 0 45 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.921 109.0 49.3 -63.1 -42.3 20.7 10.8 8.4 253 254 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 3,-1.1 0.921 108.3 52.5 -64.0 -47.5 17.0 10.0 9.1 254 255 A I H ><5S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -86,-0.4 0.924 103.7 57.9 -48.6 -45.1 16.6 8.3 5.8 255 256 A S H 3<5S+ 0 0 49 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.778 106.4 51.0 -60.6 -22.5 19.6 6.1 6.7 256 257 A K T <<5S- 0 0 134 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.193 129.1 -93.9-103.1 16.6 17.7 5.1 9.8 257 258 A G T X 5S+ 0 0 31 -3,-2.3 3,-1.6 -89,-0.1 4,-0.3 0.561 78.4 140.2 91.1 10.3 14.5 4.1 7.9 258 259 A E T 3 S+ 0 0 70 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 0.306 78.0 104.4 -96.8 2.3 -1.3 2.7 -1.4 265 266 A D H > S+ 0 0 48 -69,-0.3 4,-1.3 1,-0.2 -68,-0.2 0.892 81.4 43.4 -53.9 -48.1 -3.3 5.8 -0.3 266 267 A L H > S+ 0 0 0 -70,-0.5 4,-3.4 -68,-0.4 5,-0.4 0.944 113.3 49.5 -66.2 -50.3 -1.9 8.2 -2.9 267 268 A Q H > S+ 0 0 73 -69,-0.3 4,-1.9 -4,-0.3 -1,-0.2 0.874 111.5 51.4 -54.8 -38.5 -2.1 5.7 -5.8 268 269 A K H < S+ 0 0 158 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.829 115.1 43.4 -69.2 -27.0 -5.6 5.1 -4.8 269 270 A L H < S+ 0 0 26 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.906 131.2 16.6 -85.5 -44.0 -6.3 8.8 -4.9 270 271 A I H < S- 0 0 31 -4,-3.4 -3,-0.2 1,-0.3 2,-0.2 0.459 97.5-125.6-110.8 -3.7 -4.5 10.0 -8.0 271 272 A G S < S+ 0 0 34 -4,-1.9 -1,-0.3 -5,-0.4 -2,-0.1 -0.536 70.8 15.3 85.4-158.4 -3.9 6.8 -10.1 272 273 A S S S- 0 0 114 -2,-0.2 2,-0.2 1,-0.1 -4,-0.0 -0.083 75.6-129.1 -58.8 146.3 -0.5 5.7 -11.4 273 274 A L - 0 0 18 1,-0.1 -1,-0.1 -101,-0.0 -101,-0.0 -0.590 27.3 -97.5 -95.5 158.0 2.6 7.4 -9.9 274 275 A T - 0 0 36 -2,-0.2 -101,-0.1 1,-0.1 -1,-0.1 -0.599 40.5-121.7 -77.3 124.8 5.4 9.0 -11.8 275 276 A P > - 0 0 65 0, 0.0 4,-1.1 0, 0.0 3,-0.4 -0.329 18.5-121.0 -65.6 150.5 8.4 6.7 -12.3 276 277 A L H > S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.834 111.1 59.1 -63.5 -37.6 11.6 8.0 -10.9 277 278 A K H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.916 103.4 53.1 -55.6 -42.4 13.4 7.8 -14.3 278 279 A E H > S+ 0 0 92 -3,-0.4 4,-1.5 1,-0.2 -1,-0.2 0.826 110.6 47.0 -62.4 -32.1 10.8 10.2 -15.7 279 280 A T H X S+ 0 0 11 -4,-1.1 4,-2.3 -3,-0.2 -1,-0.2 0.863 109.6 53.3 -80.0 -35.6 11.5 12.7 -12.9 280 281 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.944 109.0 48.8 -64.6 -47.5 15.2 12.4 -13.4 281 282 A K H < S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.921 111.2 49.8 -62.0 -40.6 15.0 13.2 -17.1 282 283 A Q H < S+ 0 0 142 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.933 107.1 55.3 -56.8 -49.1 12.7 16.2 -16.4 283 284 A A H < 0 0 21 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 360.0 360.0 -53.6 -39.9 15.3 17.4 -13.8 284 285 A L < 0 0 59 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.470 360.0 360.0 -89.2 360.0 18.0 17.3 -16.5