==== 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 16-OCT-99 1D6Z . COMPND 2 MOLECULE: COPPER AMINE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.M.WILMOT,J.HAJDU,M.J.MCPHERSON,P.F.KNOWLES,S.E.V.PHILLIPS . 1438 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 972 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 501 34.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 11 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 19 1.3 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 . 2 0.1 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 . 172 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.0 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 5 4 3 0 3 1 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 0 PARALLEL BRIDGES PER LADDER . 13 10 6 9 10 5 9 8 5 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 4 3 3 0 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 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 7 A M 0 0 110 0, 0.0 64,-0.2 0, 0.0 65,-0.0 0.000 360.0 360.0 360.0 164.8 29.7 102.4 7.2 2 8 A V E -A 64 0A 35 62,-1.5 62,-2.7 63,-0.0 2,-0.1 -0.985 360.0 -85.1-154.4 148.0 32.5 100.9 5.1 3 9 A P E > -A 63 0A 32 0, 0.0 4,-2.2 0, 0.0 60,-0.2 -0.369 35.0-150.2 -59.0 128.5 32.7 98.5 2.2 4 10 A M H > S+ 0 0 0 58,-2.3 4,-3.7 2,-0.2 5,-0.4 0.983 89.9 44.3 -65.0 -63.7 32.6 94.9 3.4 5 11 A D H > S+ 0 0 68 57,-0.3 4,-2.0 1,-0.2 5,-0.2 0.877 117.7 47.3 -50.7 -42.5 34.6 93.0 0.7 6 12 A K H > S+ 0 0 132 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.964 117.7 40.4 -64.7 -53.4 37.2 95.8 0.7 7 13 A T H X S+ 0 0 27 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.937 116.0 50.0 -61.7 -49.8 37.6 95.9 4.5 8 14 A L H X>S+ 0 0 0 -4,-3.7 5,-2.4 1,-0.2 4,-0.5 0.889 111.0 48.2 -58.6 -42.6 37.4 92.2 5.0 9 15 A K H <5S+ 0 0 138 -4,-2.0 3,-0.4 -5,-0.4 -1,-0.2 0.820 107.9 54.2 -70.4 -29.0 40.0 91.3 2.4 10 16 A E H <5S+ 0 0 147 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.798 107.3 53.6 -70.8 -26.6 42.4 94.0 3.8 11 17 A F H <5S- 0 0 49 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.635 120.8-115.8 -79.1 -16.4 41.8 92.1 7.1 12 18 A G T <5 + 0 0 35 -4,-0.5 2,-0.2 -3,-0.4 -3,-0.2 0.605 68.5 138.0 90.6 13.5 42.8 88.9 5.3 13 19 A A < - 0 0 6 -5,-2.4 2,-0.4 15,-0.1 -1,-0.3 -0.635 53.9-121.4 -93.3 150.7 39.5 87.2 5.7 14 20 A D E -C 27 0B 88 13,-3.4 13,-2.3 -2,-0.2 2,-0.5 -0.756 25.8-153.8 -91.1 134.8 37.8 85.1 2.9 15 21 A V E +C 26 0B 22 -2,-0.4 2,-0.4 11,-0.2 11,-0.2 -0.942 13.8 179.6-116.9 126.6 34.4 86.3 1.8 16 22 A Q E -C 25 0B 56 9,-2.7 9,-2.9 -2,-0.5 2,-0.5 -0.982 9.6-161.2-124.9 134.0 31.7 84.1 0.3 17 23 A W E -C 24 0B 93 -2,-0.4 2,-0.7 7,-0.2 7,-0.2 -0.961 2.0-164.0-116.6 127.2 28.2 85.2 -0.8 18 24 A D E >> -C 23 0B 29 5,-2.7 5,-1.9 -2,-0.5 4,-1.3 -0.934 2.2-171.5-109.5 106.6 25.4 82.7 -1.3 19 25 A D T 45S+ 0 0 110 -2,-0.7 -1,-0.2 2,-0.2 5,-0.0 0.872 84.1 55.3 -67.9 -37.2 22.7 84.4 -3.3 20 26 A Y T 45S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.1 736,-0.0 0.919 120.2 31.3 -60.9 -44.2 20.2 81.6 -2.9 21 27 A A T 45S- 0 0 2 2,-0.2 -1,-0.2 722,-0.0 -2,-0.2 0.563 100.6-133.0 -90.3 -9.3 20.5 81.8 0.9 22 28 A Q T <5 + 0 0 91 -4,-1.3 2,-0.4 1,-0.2 -3,-0.2 0.940 62.6 137.9 54.4 47.2 21.2 85.5 1.0 23 29 A L E < -C 18 0B 7 -5,-1.9 -5,-2.7 13,-0.2 2,-0.4 -0.982 49.7-149.0-132.8 137.0 24.0 84.7 3.3 24 30 A F E -CD 17 35B 8 11,-2.3 11,-2.2 -2,-0.4 2,-0.5 -0.859 10.6-161.1-100.3 133.6 27.6 85.8 3.7 25 31 A T E -CD 16 34B 17 -9,-2.9 -9,-2.7 -2,-0.4 2,-0.4 -0.986 9.4-168.5-116.7 123.2 30.1 83.3 5.0 26 32 A L E -CD 15 33B 0 7,-3.1 7,-3.4 -2,-0.5 2,-0.4 -0.958 4.8-174.7-115.0 129.4 33.3 85.0 6.4 27 33 A I E +CD 14 32B 31 -13,-2.3 -13,-3.4 -2,-0.4 2,-0.3 -0.983 16.6 153.2-133.3 131.4 36.4 82.9 7.2 28 34 A K E > - D 0 31B 48 3,-2.1 3,-2.6 -2,-0.4 -15,-0.1 -0.836 67.7 -57.2-155.1 115.6 39.7 83.8 8.8 29 35 A D T 3 S- 0 0 30 -2,-0.3 -1,-0.1 1,-0.3 372,-0.1 -0.285 125.5 -4.4 50.8-119.7 41.9 81.4 10.7 30 36 A G T 3 S+ 0 0 2 -3,-0.1 2,-0.5 48,-0.1 -1,-0.3 0.537 115.3 95.1 -80.7 -4.8 39.8 80.0 13.6 31 37 A A E < +D 28 0B 2 -3,-2.6 -3,-2.1 47,-0.1 2,-0.5 -0.758 45.2 179.4 -95.1 128.8 36.8 82.2 12.9 32 38 A Y E -D 27 0B 30 -2,-0.5 13,-2.4 -5,-0.2 14,-0.4 -0.936 16.9-175.6-127.8 102.9 33.9 81.0 10.8 33 39 A V E -DE 26 44B 0 -7,-3.4 -7,-3.1 -2,-0.5 2,-0.4 -0.813 15.8-170.3-109.1 142.1 31.2 83.7 10.5 34 40 A K E +DE 25 43B 37 9,-2.4 9,-3.0 -2,-0.3 2,-0.3 -0.997 15.3 165.1-129.5 128.0 27.8 83.7 8.9 35 41 A V E -D 24 0B 0 -11,-2.2 -11,-2.3 -2,-0.4 7,-0.1 -0.984 22.7-150.1-148.0 133.7 25.8 86.9 8.6 36 42 A K > - 0 0 58 5,-0.5 3,-1.9 -2,-0.3 19,-0.4 -0.815 36.2-100.5-102.2 141.9 22.7 87.8 6.5 37 43 A P T 3 S+ 0 0 34 0, 0.0 19,-0.2 0, 0.0 3,-0.1 -0.327 108.1 13.9 -59.3 139.3 22.2 91.4 5.3 38 44 A G T 3 S+ 0 0 54 17,-2.9 2,-0.1 1,-0.3 18,-0.1 0.283 93.4 134.0 80.6 -12.9 19.7 93.3 7.5 39 45 A A < - 0 0 21 -3,-1.9 16,-0.4 1,-0.1 -1,-0.3 -0.434 54.1-144.4 -72.9 146.3 19.9 90.7 10.3 40 46 A Q S S+ 0 0 156 14,-0.1 11,-2.7 -2,-0.1 2,-0.3 0.489 83.9 40.9 -86.6 -5.4 20.3 92.0 13.9 41 47 A T E - F 0 50B 57 9,-0.2 -5,-0.5 -5,-0.1 2,-0.3 -0.915 64.3-163.1-137.9 164.5 22.4 89.0 14.8 42 48 A A E - F 0 49B 0 7,-2.2 7,-2.5 -2,-0.3 2,-0.5 -0.852 22.6-116.0-138.7 171.1 25.2 87.0 13.2 43 49 A I E -EF 34 48B 20 -9,-3.0 -9,-2.4 -2,-0.3 2,-0.5 -0.965 22.5-173.7-118.6 129.6 26.8 83.6 13.9 44 50 A V E > S-EF 33 47B 0 3,-2.9 3,-2.4 -2,-0.5 -11,-0.2 -0.980 76.5 -25.4-124.7 117.6 30.4 83.1 15.0 45 51 A N T 3 S- 0 0 10 -13,-2.4 261,-0.2 -2,-0.5 -1,-0.1 0.890 128.4 -47.9 45.6 49.0 31.7 79.5 15.3 46 52 A G T 3 S+ 0 0 36 -14,-0.4 -1,-0.3 259,-0.3 260,-0.1 0.396 117.4 111.3 78.5 -3.6 28.1 78.3 15.8 47 53 A Q E < -F 44 0B 108 -3,-2.4 -3,-2.9 30,-0.1 -1,-0.2 -0.884 68.9-114.8-111.2 137.7 27.2 80.9 18.5 48 54 A P E -F 43 0B 89 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.371 29.3-168.9 -66.7 139.0 24.7 83.8 18.2 49 55 A L E -F 42 0B 30 -7,-2.5 -7,-2.2 -2,-0.1 2,-0.4 -0.996 18.3-133.8-134.0 126.6 26.1 87.4 18.3 50 56 A A E -F 41 0B 85 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.641 24.5-145.2 -79.4 132.5 24.0 90.6 18.6 51 57 A L - 0 0 25 -11,-2.7 17,-0.0 -2,-0.4 -1,-0.0 -0.768 13.5-151.8-100.1 145.2 25.2 93.2 16.2 52 58 A Q S S+ 0 0 149 -2,-0.3 -1,-0.2 1,-0.3 -11,-0.0 0.924 94.2 21.1 -75.2 -46.5 25.1 97.0 16.9 53 59 A V S S- 0 0 52 -3,-0.1 12,-0.4 3,-0.0 -1,-0.3 -0.979 85.8-132.8-126.1 118.8 24.7 97.7 13.2 54 60 A P - 0 0 40 0, 0.0 2,-0.3 0, 0.0 -14,-0.1 -0.209 35.8 -94.2 -63.3 161.2 23.3 95.1 10.8 55 61 A V - 0 0 0 -19,-0.4 -17,-2.9 -16,-0.4 2,-0.4 -0.600 46.6-153.2 -75.2 138.6 25.1 94.6 7.5 56 62 A V E -B 63 0A 48 7,-2.7 7,-2.7 -2,-0.3 2,-0.5 -0.956 10.3-135.8-123.8 138.9 23.6 96.7 4.7 57 63 A M E -B 62 0A 79 -2,-0.4 2,-0.5 5,-0.2 5,-0.3 -0.762 22.5-179.7 -90.8 127.0 23.4 96.3 0.9 58 64 A K E > S-B 61 0A 130 3,-3.8 3,-0.8 -2,-0.5 -2,-0.0 -0.934 72.9 -24.6-130.5 107.4 24.1 99.4 -1.1 59 65 A D T 3 S- 0 0 123 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.955 126.6 -50.2 55.8 52.4 23.9 99.1 -4.9 60 66 A N T 3 S+ 0 0 157 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.700 121.8 113.5 57.6 21.3 24.7 95.3 -4.7 61 67 A K E < - B 0 58A 116 -3,-0.8 -3,-3.8 -57,-0.0 -1,-0.2 -0.988 64.4-135.5-124.0 122.1 27.6 96.2 -2.4 62 68 A A E - B 0 57A 5 -2,-0.5 -58,-2.3 -5,-0.3 2,-0.3 -0.507 20.8-165.1 -77.6 145.4 27.5 95.2 1.2 63 69 A W E -AB 3 56A 72 -7,-2.7 -7,-2.7 -60,-0.2 2,-0.3 -0.978 4.5-170.7-132.2 145.9 28.5 97.7 3.9 64 70 A V E -A 2 0A 0 -62,-2.7 -62,-1.5 -2,-0.3 -9,-0.1 -0.879 34.4 -81.9-133.3 164.6 29.4 97.2 7.6 65 71 A S > - 0 0 11 -12,-0.4 3,-1.7 -2,-0.3 4,-0.3 -0.232 40.1-118.3 -59.8 153.2 30.1 99.3 10.7 66 72 A D T 3 S+ 0 0 143 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.586 119.8 49.0 -71.5 -7.6 33.6 100.6 11.0 67 73 A T T 3> S+ 0 0 40 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.243 80.7 106.7-112.2 9.4 33.8 98.5 14.1 68 74 A F H <> S+ 0 0 4 -3,-1.7 4,-2.9 2,-0.2 5,-0.4 0.927 77.0 48.3 -55.0 -55.6 32.4 95.3 12.5 69 75 A I H >>S+ 0 0 27 -4,-0.3 4,-2.3 2,-0.2 5,-0.9 0.932 115.9 44.6 -55.1 -48.2 35.7 93.4 12.3 70 76 A N H >5S+ 0 0 91 3,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.961 115.4 46.7 -61.2 -52.3 36.5 94.1 16.0 71 77 A D H <5S+ 0 0 44 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.869 125.3 30.7 -58.1 -40.7 33.0 93.4 17.2 72 78 A V H ><5S+ 0 0 0 -4,-2.9 3,-0.9 -5,-0.2 4,-0.3 0.953 128.5 33.2 -85.1 -57.0 32.7 90.1 15.3 73 79 A F H 3<5S+ 0 0 14 -4,-2.3 3,-0.2 -5,-0.4 -3,-0.2 0.799 128.0 38.9 -72.4 -30.8 36.2 88.7 15.0 74 80 A Q T 3< - 0 0 3 1,-0.1 3,-2.2 2,-0.1 42,-0.1 -0.403 21.1-125.6 -63.4 134.3 55.7 80.1 29.6 89 95 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 41,-0.1 0.690 108.5 54.8 -56.8 -21.6 59.4 80.1 30.5 90 96 A L T 3 S+ 0 0 10 40,-0.1 32,-0.1 34,-0.1 3,-0.1 0.392 75.4 133.3 -95.5 5.5 60.4 78.9 27.0 91 97 A N < - 0 0 17 -3,-2.2 3,-0.1 1,-0.1 236,-0.1 -0.276 64.6-108.1 -52.8 139.2 58.6 81.8 25.2 92 98 A A - 0 0 26 1,-0.2 -1,-0.1 29,-0.0 237,-0.1 -0.258 47.6 -75.9 -67.6 158.0 60.9 83.3 22.6 93 99 A L - 0 0 10 27,-0.1 -1,-0.2 -3,-0.1 313,-0.1 -0.314 53.0-131.1 -56.3 133.3 62.4 86.7 23.2 94 100 A T > - 0 0 68 -3,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.320 25.7-101.2 -80.5 170.0 59.8 89.4 22.7 95 101 A A H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.900 126.3 51.6 -59.4 -39.7 60.4 92.4 20.5 96 102 A D H > S+ 0 0 120 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.866 110.4 48.0 -65.4 -35.7 61.0 94.4 23.7 97 103 A E H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.856 108.1 54.9 -72.5 -35.6 63.5 91.9 25.0 98 104 A I H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.921 112.5 43.3 -62.8 -43.1 65.3 91.8 21.7 99 105 A K H X S+ 0 0 97 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.861 112.3 53.1 -71.8 -33.8 65.8 95.6 21.9 100 106 A Q H X S+ 0 0 46 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.957 109.4 48.9 -64.1 -50.1 66.7 95.4 25.6 101 107 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.888 111.2 49.9 -57.1 -41.9 69.4 92.9 24.9 102 108 A V H X S+ 0 0 11 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.902 109.5 50.9 -66.4 -39.6 70.8 95.0 22.0 103 109 A E H X S+ 0 0 137 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.877 107.2 55.8 -65.3 -35.7 70.9 98.1 24.2 104 110 A I H < S+ 0 0 18 -4,-2.2 3,-0.4 1,-0.2 4,-0.3 0.951 113.0 37.9 -62.0 -51.4 72.8 96.2 26.9 105 111 A V H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 6,-0.3 0.808 112.8 57.6 -72.1 -29.3 75.6 95.1 24.7 106 112 A K H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.759 98.3 61.7 -71.6 -22.7 75.8 98.4 22.8 107 113 A A T 3< S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.4 2,-0.2 0.614 85.8 98.9 -76.2 -12.8 76.3 100.2 26.1 108 114 A S S X S- 0 0 25 -3,-1.0 3,-1.0 -4,-0.3 -3,-0.0 -0.511 77.5-133.9 -76.4 144.0 79.6 98.2 26.5 109 115 A A T 3 S+ 0 0 100 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.1 0.635 104.6 61.2 -71.7 -12.9 82.8 99.9 25.5 110 116 A D T 3 S+ 0 0 97 -5,-0.1 2,-0.7 2,-0.1 -1,-0.2 0.627 75.1 107.1 -88.3 -13.4 83.9 96.8 23.7 111 117 A F < - 0 0 32 -3,-1.0 -5,-0.0 -6,-0.3 41,-0.0 -0.538 66.2-143.0 -70.5 111.7 81.0 96.9 21.3 112 118 A K > - 0 0 106 -2,-0.7 3,-1.6 1,-0.1 -2,-0.1 -0.425 19.8-104.6 -77.2 152.6 82.5 98.0 17.9 113 119 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.742 111.7 31.4 -42.5 -49.3 80.6 100.4 15.5 114 120 A N T 3 S+ 0 0 143 2,-0.0 39,-0.3 0, 0.0 37,-0.0 0.071 80.9 149.5-109.1 28.9 79.4 98.0 12.7 115 121 A T < - 0 0 17 -3,-1.6 37,-0.2 37,-0.1 2,-0.2 -0.330 28.4-159.2 -62.2 136.7 78.9 94.9 14.8 116 122 A R E -R 151 0D 28 35,-2.7 35,-2.6 -2,-0.0 2,-0.5 -0.654 14.9-119.8-111.2 170.1 76.1 92.6 13.5 117 123 A F E -R 150 0D 5 293,-3.3 295,-0.3 33,-0.2 33,-0.2 -0.937 19.8-177.3-119.3 114.5 74.1 90.0 15.3 118 124 A T E S- 0 0 14 31,-1.5 2,-0.3 -2,-0.5 32,-0.2 0.823 78.6 -5.0 -74.9 -30.6 74.2 86.4 14.1 119 125 A E E -R 149 0D 28 30,-1.4 30,-2.9 291,-0.1 2,-0.4 -0.930 49.0-173.8-166.1 139.2 71.7 85.3 16.7 120 126 A I E +R 148 0D 13 -2,-0.3 288,-0.3 28,-0.2 2,-0.3 -0.927 35.6 149.8-134.8 105.7 69.8 86.8 19.7 121 127 A S E -R 147 0D 18 26,-1.8 26,-3.0 -2,-0.4 208,-0.1 -0.925 50.6 -79.5-139.6 163.4 67.9 84.0 21.5 122 128 A L E -R 146 0D 26 -2,-0.3 24,-0.3 24,-0.2 -30,-0.0 -0.341 37.8-132.1 -61.3 134.1 66.5 82.9 24.9 123 129 A L E -R 145 0D 47 22,-2.8 22,-0.5 38,-0.2 -1,-0.1 -0.842 39.0-114.3 -89.0 110.1 69.2 81.3 27.1 124 130 A P - 0 0 39 0, 0.0 3,-0.1 0, 0.0 -34,-0.1 -0.194 22.1-131.3 -52.5 126.1 67.2 78.2 28.2 125 131 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 19,-0.0 -0.160 51.4 -67.1 -67.1 170.3 66.3 78.0 31.9 126 132 A D > - 0 0 69 1,-0.1 4,-1.9 4,-0.0 3,-0.4 -0.427 44.2-126.1 -69.8 137.2 67.1 74.7 33.5 127 133 A K H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.853 105.8 58.2 -45.0 -48.1 65.0 71.8 32.2 128 134 A E H > S+ 0 0 165 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 107.4 46.4 -54.2 -49.7 63.8 70.7 35.7 129 135 A A H > S+ 0 0 20 -3,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.892 111.5 52.2 -61.7 -40.9 62.3 74.1 36.4 130 136 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.936 109.3 48.7 -62.7 -45.0 60.6 74.3 33.0 131 137 A W H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.888 108.9 54.4 -61.0 -38.2 59.0 70.9 33.5 132 138 A A H X S+ 0 0 13 -4,-2.1 4,-2.2 -5,-0.2 6,-1.8 0.847 107.2 51.1 -65.4 -33.1 57.8 72.0 36.9 133 139 A F H X S+ 0 0 16 -4,-1.8 4,-1.3 4,-0.3 -2,-0.2 0.942 115.1 41.9 -68.0 -45.3 56.1 75.0 35.3 134 140 A A H < S+ 0 0 25 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.847 127.6 30.0 -70.1 -36.8 54.4 72.8 32.7 135 141 A L H < S+ 0 0 61 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.709 136.7 21.3 -97.7 -23.1 53.4 70.0 35.1 136 142 A E H < S- 0 0 133 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.325 92.1-121.9-128.0 5.4 53.0 71.8 38.4 137 143 A N < + 0 0 100 -4,-1.3 -4,-0.3 1,-0.2 -3,-0.1 0.681 56.8 161.0 59.9 15.7 52.4 75.5 37.5 138 144 A K - 0 0 118 -6,-1.8 -1,-0.2 -7,-0.1 -2,-0.1 -0.533 41.9-115.9 -72.0 128.2 55.5 76.1 39.6 139 145 A P - 0 0 101 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.320 20.2-119.9 -64.8 144.4 57.1 79.5 38.8 140 146 A V - 0 0 34 1,-0.1 2,-0.7 2,-0.1 -10,-0.0 -0.787 22.2-161.2 -87.1 111.6 60.6 79.6 37.3 141 147 A D + 0 0 155 -2,-0.8 -1,-0.1 2,-0.1 -3,-0.0 -0.201 57.9 98.6 -89.6 45.1 62.6 81.6 39.9 142 148 A Q S S- 0 0 67 -2,-0.7 3,-0.1 -16,-0.0 -2,-0.1 -0.998 78.8-107.6-133.9 131.9 65.4 82.4 37.4 143 149 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 20,-0.1 -0.282 38.4-103.3 -60.6 137.4 65.8 85.7 35.5 144 150 A R - 0 0 59 18,-0.1 19,-1.8 -22,-0.0 20,-1.1 -0.409 47.9-171.3 -58.1 128.0 65.1 85.6 31.7 145 151 A K E -RS 123 162D 49 -22,-0.5 -22,-2.8 17,-0.2 2,-0.4 -0.883 11.0-151.9-124.9 158.0 68.5 85.6 30.0 146 152 A A E -RS 122 161D 0 15,-2.1 15,-2.4 -2,-0.3 2,-0.5 -0.992 12.5-137.1-134.0 138.9 69.5 86.0 26.4 147 153 A D E -RS 121 160D 48 -26,-3.0 -26,-1.8 -2,-0.4 2,-0.6 -0.812 21.8-166.2 -89.3 128.9 72.5 84.7 24.4 148 154 A V E -RS 120 159D 0 11,-3.4 11,-2.7 -2,-0.5 2,-0.6 -0.935 2.3-169.6-121.1 106.8 73.7 87.5 22.1 149 155 A I E -RS 119 158D 12 -30,-2.9 -31,-1.5 -2,-0.6 -30,-1.4 -0.875 11.1-167.3-101.7 119.1 76.1 86.3 19.5 150 156 A M E -RS 117 157D 2 7,-3.2 7,-2.4 -2,-0.6 2,-0.5 -0.739 19.5-152.2-109.1 152.9 77.8 89.1 17.6 151 157 A L E -RS 116 156D 0 -35,-2.6 -35,-2.7 -2,-0.3 2,-1.0 -0.957 10.1-171.0-124.1 106.2 79.9 89.3 14.4 152 158 A D E > S- S 0 155D 50 3,-3.4 3,-1.9 -2,-0.5 2,-1.6 -0.794 73.5 -52.4 -99.6 89.3 82.4 92.2 14.5 153 159 A G T 3 S- 0 0 25 -2,-1.0 -2,-0.0 -39,-0.3 3,-0.0 -0.651 125.3 -25.0 80.7 -90.8 83.7 92.2 11.0 154 160 A K T 3 S+ 0 0 28 -2,-1.6 2,-0.5 24,-0.1 25,-0.3 0.265 117.7 107.3-132.5 1.8 84.6 88.6 10.9 155 161 A H E < -S 152 0D 98 -3,-1.9 -3,-3.4 23,-0.1 2,-0.4 -0.761 59.5-143.6 -94.4 126.2 85.1 88.1 14.6 156 162 A I E -ST 151 174D 3 21,-0.6 18,-3.2 18,-0.5 2,-0.4 -0.700 18.0-177.8 -88.3 131.5 82.5 86.2 16.7 157 163 A I E -ST 150 173D 15 -7,-2.4 -7,-3.2 -2,-0.4 2,-0.5 -0.998 13.0-151.6-129.9 131.2 81.8 87.4 20.2 158 164 A E E +ST 149 172D 46 14,-3.1 14,-3.4 -2,-0.4 2,-0.3 -0.904 19.1 176.9-106.1 123.4 79.4 85.6 22.6 159 165 A A E -ST 148 171D 1 -11,-2.7 -11,-3.4 -2,-0.5 2,-0.4 -0.892 17.5-153.8-124.3 155.3 77.6 87.6 25.2 160 166 A V E -ST 147 170D 25 10,-1.6 9,-3.1 -2,-0.3 10,-1.4 -0.997 13.9-166.3-128.1 127.8 75.0 86.8 27.9 161 167 A V E -ST 146 168D 0 -15,-2.4 -15,-2.1 -2,-0.4 2,-0.9 -0.913 21.4-134.3-119.8 145.0 72.5 89.4 29.2 162 168 A D E >> -ST 145 167D 7 5,-3.3 5,-1.5 -2,-0.4 4,-0.8 -0.838 21.5-175.0 -94.6 102.6 70.2 89.3 32.2 163 169 A L T 45S+ 0 0 8 -19,-1.8 -1,-0.2 -2,-0.9 -18,-0.2 0.856 80.4 52.2 -67.8 -37.9 66.9 90.7 30.8 164 170 A Q T 45S+ 0 0 129 -20,-1.1 -1,-0.2 1,-0.2 -19,-0.1 0.910 123.9 27.9 -66.6 -41.3 65.1 90.7 34.2 165 171 A N T 45S- 0 0 88 -21,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.363 104.3-129.1-100.6 2.8 67.9 92.8 35.9 166 172 A N T <5 + 0 0 96 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.943 60.2 127.1 48.2 65.7 69.1 94.5 32.7 167 173 A K E < -T 162 0D 106 -5,-1.5 -5,-3.3 0, 0.0 2,-0.5 -0.999 63.6-110.4-151.0 149.8 72.8 93.7 33.0 168 174 A L E -T 161 0D 64 -2,-0.3 -7,-0.2 -7,-0.2 3,-0.1 -0.685 28.9-178.9 -79.8 122.4 75.6 92.2 30.9 169 175 A L E - 0 0 82 -9,-3.1 2,-0.3 -2,-0.5 -8,-0.2 0.803 61.6 -4.6 -92.8 -33.3 76.7 88.9 32.4 170 176 A S E -T 160 0D 45 -10,-1.4 -10,-1.6 2,-0.0 2,-0.3 -0.994 44.5-162.7-159.9 158.4 79.5 87.9 30.1 171 177 A W E +T 159 0D 51 -2,-0.3 -12,-0.2 -12,-0.2 -3,-0.0 -0.859 20.7 174.5-147.9 103.1 81.4 88.9 26.9 172 178 A Q E -T 158 0D 118 -14,-3.4 -14,-3.1 -2,-0.3 2,-0.1 -0.921 23.5-145.3-123.2 112.6 83.6 86.2 25.3 173 179 A P E -T 157 0D 83 0, 0.0 2,-0.8 0, 0.0 -16,-0.3 -0.476 21.4-137.3 -67.6 140.6 85.4 86.5 22.0 174 180 A I E > -T 156 0D 51 -18,-3.2 3,-1.2 -2,-0.1 -18,-0.5 -0.879 17.6-138.0-107.9 105.2 85.4 83.1 20.2 175 181 A K T 3 S- 0 0 169 -2,-0.8 3,-0.1 1,-0.2 -20,-0.0 -0.324 77.7 -0.6 -63.2 133.0 88.8 82.3 18.7 176 182 A D T 3 S+ 0 0 134 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.535 94.5 133.6 67.2 7.9 89.0 80.8 15.2 177 183 A A < - 0 0 15 -3,-1.2 -21,-0.6 -21,-0.1 2,-0.3 -0.775 45.4-148.6 -93.6 131.0 85.2 80.8 14.8 178 184 A H - 0 0 15 -2,-0.5 472,-0.4 472,-0.4 2,-0.2 -0.742 19.0-121.8 -93.6 145.6 83.8 82.0 11.5 179 185 A G - 0 0 0 -25,-0.3 3,-0.1 -2,-0.3 469,-0.1 -0.492 28.5-102.3 -85.0 157.9 80.4 83.7 11.6 180 186 A M - 0 0 26 -2,-0.2 2,-0.3 1,-0.1 201,-0.2 -0.129 50.7 -82.7 -66.7 173.1 77.4 82.4 9.5 181 187 A V - 0 0 3 199,-3.0 2,-0.3 37,-0.1 -1,-0.1 -0.641 48.8-154.5 -81.7 137.8 76.5 84.3 6.4 182 188 A L >> - 0 0 11 -2,-0.3 3,-1.8 -3,-0.1 4,-0.7 -0.796 26.8-106.6-113.7 157.1 74.3 87.3 7.0 183 189 A L H >> S+ 0 0 58 -2,-0.3 3,-1.6 1,-0.3 4,-0.9 0.857 117.1 56.4 -48.9 -45.3 71.8 89.1 4.7 184 190 A D H 3> S+ 0 0 45 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.775 96.6 66.8 -62.3 -22.4 74.0 92.1 4.0 185 191 A D H <> S+ 0 0 5 -3,-1.8 4,-2.1 1,-0.2 -1,-0.3 0.804 93.3 59.9 -66.7 -27.9 76.7 89.7 2.7 186 192 A F H < S+ 0 0 4 -4,-2.3 3,-2.1 -5,-0.3 7,-0.3 0.933 109.4 57.8 -63.6 -44.7 81.3 91.7 -8.4 194 200 A N H 3< S+ 0 0 86 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.803 109.7 44.4 -54.7 -33.2 79.5 94.7 -10.0 195 201 A N T 3< S+ 0 0 115 -4,-1.6 2,-0.8 -3,-0.3 -1,-0.3 0.244 88.6 109.7 -97.5 12.2 82.5 96.9 -9.4 196 202 A S <> - 0 0 12 -3,-2.1 4,-2.6 1,-0.2 5,-0.2 -0.811 44.2-173.7 -96.1 112.9 85.1 94.4 -10.5 197 203 A E H > S+ 0 0 117 -2,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.903 90.3 51.0 -65.4 -43.2 86.7 95.3 -13.8 198 204 A E H > S+ 0 0 127 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.932 111.3 46.8 -61.2 -47.4 88.5 91.9 -13.8 199 205 A F H > S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.950 112.1 49.7 -60.4 -49.3 85.3 90.1 -13.2 200 206 A A H X S+ 0 0 39 -4,-2.6 4,-2.2 -7,-0.3 -1,-0.2 0.875 111.4 51.5 -56.2 -37.1 83.5 92.1 -15.9 201 207 A A H X S+ 0 0 59 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.944 110.1 47.3 -64.7 -48.5 86.5 91.2 -18.1 202 208 A A H X S+ 0 0 6 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.901 111.6 51.5 -59.6 -43.0 86.2 87.5 -17.4 203 209 A V H ><>S+ 0 0 0 -4,-3.0 5,-1.5 1,-0.2 3,-1.3 0.910 105.2 54.4 -61.8 -44.6 82.4 87.6 -18.0 204 210 A K H ><5S+ 0 0 108 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.915 102.4 59.2 -55.2 -43.7 82.8 89.3 -21.4 205 211 A K H 3<5S+ 0 0 119 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.780 102.4 55.6 -55.6 -27.9 85.2 86.4 -22.3 206 212 A R T <<5S- 0 0 7 -3,-1.3 74,-0.4 -4,-0.8 -1,-0.3 0.179 126.0 -92.8 -95.8 18.3 82.3 84.1 -21.7 207 213 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.7 1,-0.2 -3,-0.2 0.371 78.8 137.0 92.9 -6.0 79.7 85.6 -24.0 208 214 A I < - 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