==== 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 20-MAR-06 2GEW . COMPND 2 MOLECULE: CHOLESTEROL OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR A.Y.LYUBIMOV,A VRIELINK . 501 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18300.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 333 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 44 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 1 0 2 2 2 0 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 2 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 PARALLEL BRIDGES PER LADDER . 9 3 0 2 1 3 0 1 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 2 1 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 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 8 A G 0 0 87 0, 0.0 272,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-171.4 23.3 2.6 47.4 2 9 A G E -a 273 0A 34 270,-1.9 272,-2.2 2,-0.1 2,-0.3 -0.832 360.0 -34.9 132.2-173.9 26.8 1.3 48.3 3 10 A Y E +a 274 0A 135 -2,-0.3 272,-0.2 270,-0.2 3,-0.1 -0.647 41.2 171.0 -90.0 138.2 29.8 -0.5 46.9 4 11 A V - 0 0 28 270,-2.3 272,-0.5 -2,-0.3 273,-0.2 -0.988 38.7-123.4-138.4 138.0 29.9 -3.2 44.3 5 12 A P S S+ 0 0 37 0, 0.0 272,-2.5 0, 0.0 271,-2.2 0.895 95.8 20.9 -50.6 -53.2 33.2 -4.4 42.8 6 13 A A E -de 29 277B 0 22,-2.1 24,-2.3 270,-0.2 2,-0.4 -0.976 66.1-168.6-118.5 138.2 32.1 -3.7 39.2 7 14 A V E -de 30 278B 0 270,-2.1 272,-2.9 -2,-0.4 2,-0.5 -0.983 4.0-164.0-118.2 136.2 29.4 -1.4 37.9 8 15 A V E -de 31 279B 0 22,-2.6 24,-2.4 -2,-0.4 2,-0.6 -0.987 12.5-145.4-116.3 123.1 28.2 -1.5 34.3 9 16 A I E +de 32 280B 8 270,-2.8 272,-2.2 -2,-0.5 24,-0.2 -0.840 67.3 4.7 -90.7 122.7 26.2 1.6 33.1 10 17 A G - 0 0 7 22,-3.1 22,-0.2 -2,-0.6 272,-0.2 -0.114 66.5-121.3 91.8 171.5 23.6 0.6 30.6 11 18 A T + 0 0 0 93,-0.3 95,-0.4 270,-0.2 -1,-0.1 -0.034 67.0 112.4-146.5 32.9 22.4 -2.8 29.3 12 19 A G S > S- 0 0 13 269,-0.8 4,-2.8 93,-0.1 5,-0.2 0.117 88.3 -62.0 -85.0-158.6 23.0 -2.6 25.5 13 20 A Y H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.945 133.5 43.1 -61.1 -52.8 25.5 -4.6 23.5 14 21 A G H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.932 118.3 46.2 -60.1 -42.9 28.8 -3.4 25.1 15 22 A A H > S+ 0 0 0 266,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.909 111.8 50.7 -64.6 -44.2 27.3 -3.5 28.6 16 23 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.911 111.2 47.2 -66.0 -42.0 25.8 -7.0 28.2 17 24 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.944 114.0 48.5 -60.6 -47.4 29.0 -8.6 26.9 18 25 A S H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.939 111.6 48.4 -61.8 -47.5 31.1 -6.9 29.6 19 26 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.896 109.7 52.4 -63.6 -39.4 28.7 -8.0 32.4 20 27 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.953 113.5 42.5 -59.7 -50.3 28.6 -11.6 31.2 21 28 A R H X S+ 0 0 39 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.892 113.7 52.1 -70.9 -35.3 32.4 -12.0 31.1 22 29 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 4,-0.3 0.936 111.3 47.4 -58.5 -48.4 32.8 -10.2 34.5 23 30 A G H ><5S+ 0 0 4 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.921 109.7 52.0 -63.9 -39.7 30.3 -12.5 36.1 24 31 A E H 3<5S+ 0 0 115 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.0 55.4 -63.5 -28.0 32.0 -15.6 34.6 25 32 A A T 3<5S- 0 0 38 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.425 123.3-107.2 -83.6 -1.6 35.3 -14.3 36.0 26 33 A G T < 5S+ 0 0 29 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.677 71.6 142.7 87.7 16.3 33.7 -14.2 39.5 27 34 A V < - 0 0 2 -5,-2.5 2,-0.3 474,-0.2 -1,-0.3 -0.821 53.1-127.6 -96.6 116.1 33.4 -10.4 39.7 28 35 A Q - 0 0 68 -2,-0.6 -22,-2.1 -3,-0.1 2,-0.4 -0.535 37.8-172.5 -64.0 125.4 30.3 -9.2 41.5 29 36 A T E -df 6 235B 0 205,-2.8 207,-2.2 -2,-0.3 2,-0.5 -0.964 21.8-160.6-134.0 134.9 28.7 -6.8 39.0 30 37 A L E -df 7 236B 6 -24,-2.3 -22,-2.6 -2,-0.4 2,-0.4 -0.978 11.0-156.0-114.2 126.1 25.8 -4.3 39.2 31 38 A M E -df 8 237B 0 205,-2.8 207,-2.9 -2,-0.5 2,-0.5 -0.872 5.1-155.8 -99.8 136.9 24.2 -3.1 35.9 32 39 A L E -df 9 238B 2 -24,-2.4 -22,-3.1 -2,-0.4 2,-0.5 -0.951 13.2-177.8-116.8 116.6 22.4 0.3 36.1 33 40 A E E - f 0 239B 12 205,-2.7 208,-2.4 -2,-0.5 207,-0.6 -0.959 21.9-155.4-119.0 128.9 19.7 0.8 33.4 34 41 A M S S+ 0 0 34 -2,-0.5 208,-0.2 206,-0.3 227,-0.1 0.768 78.3 58.1 -74.1 -27.2 17.7 4.0 33.1 35 42 A G S S- 0 0 0 1,-0.2 205,-2.2 206,-0.1 206,-0.3 -0.132 93.5 -77.2 -90.5-170.3 14.8 2.3 31.3 36 43 A Q - 0 0 29 67,-0.5 69,-2.6 50,-0.4 2,-0.7 -0.499 29.4-113.8 -87.3 159.1 12.5 -0.6 32.2 37 44 A L - 0 0 76 67,-0.2 2,-1.6 -2,-0.2 3,-0.3 -0.840 38.7-138.7 -79.9 117.0 12.8 -4.3 32.3 38 45 A W + 0 0 17 -2,-0.7 9,-0.1 67,-0.3 10,-0.1 -0.587 68.9 104.6 -90.8 83.9 10.3 -5.1 29.6 39 46 A N + 0 0 83 -2,-1.6 -1,-0.2 8,-0.1 8,-0.1 0.289 45.5 101.8-143.7 14.5 8.4 -8.1 31.0 40 47 A Q S S- 0 0 136 -3,-0.3 2,-0.1 7,-0.1 6,-0.1 -0.902 70.6-125.0-111.9 114.5 5.0 -6.9 32.2 41 48 A P - 0 0 87 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.408 32.4-146.4 -50.7 134.5 2.1 -7.5 30.1 42 49 A G > - 0 0 23 4,-2.4 3,-2.1 -2,-0.1 5,-0.1 -0.043 38.4 -67.8 -93.6-169.0 0.4 -4.2 29.3 43 50 A P T 3 S+ 0 0 128 0, 0.0 4,-0.1 0, 0.0 -1,-0.0 0.735 134.5 47.7 -60.0 -26.5 -3.2 -3.3 28.8 44 51 A D T 3 S- 0 0 63 2,-0.3 3,-0.1 3,-0.0 4,-0.1 0.302 121.0-107.4 -90.3 7.2 -3.4 -5.3 25.5 45 52 A G S < S+ 0 0 47 -3,-2.1 2,-0.3 1,-0.3 3,-0.1 0.400 88.9 105.8 81.0 -4.6 -1.8 -8.2 27.1 46 53 A N S S- 0 0 56 1,-0.1 -4,-2.4 -5,-0.1 -2,-0.3 -0.760 70.0-135.0-106.3 155.7 1.4 -7.7 25.3 47 54 A I S S+ 0 0 34 -2,-0.3 2,-0.3 -6,-0.2 -7,-0.1 0.945 89.4 35.5 -67.8 -48.4 4.7 -6.3 26.5 48 55 A F S S- 0 0 15 -10,-0.1 2,-0.2 -6,-0.1 165,-0.1 -0.789 78.7-121.8-112.5 149.0 5.3 -4.0 23.5 49 56 A C - 0 0 0 163,-0.4 163,-0.2 -2,-0.3 2,-0.1 -0.549 28.8-127.7 -81.1 150.6 3.0 -1.9 21.3 50 57 A G > - 0 0 3 3,-0.2 3,-0.6 -2,-0.2 159,-0.2 -0.408 26.1-103.4 -87.0 172.5 3.0 -2.5 17.5 51 58 A M T 3 S+ 0 0 10 157,-2.9 158,-0.1 1,-0.2 27,-0.1 0.756 121.4 48.6 -72.1 -22.8 3.5 0.0 14.8 52 59 A L T 3 S+ 0 0 66 156,-0.5 -1,-0.2 155,-0.3 157,-0.1 0.555 119.4 39.0 -92.1 -5.8 -0.2 0.2 14.0 53 60 A N S < S+ 0 0 79 -3,-0.6 -3,-0.2 2,-0.0 -1,-0.2 -0.266 78.7 172.8-135.4 53.8 -1.2 0.6 17.6 54 61 A P + 0 0 10 0, 0.0 2,-0.2 0, 0.0 11,-0.1 -0.313 6.3 159.5 -64.1 145.5 1.4 2.9 19.2 55 62 A D > - 0 0 44 -5,-0.1 3,-2.4 9,-0.1 4,-0.3 -0.660 61.5 -57.3-144.1-161.7 0.8 4.0 22.8 56 63 A K G > S+ 0 0 74 1,-0.3 3,-1.3 -2,-0.2 31,-0.2 0.792 127.0 66.7 -61.0 -25.2 2.8 5.4 25.7 57 64 A R G 3 S+ 0 0 10 1,-0.2 31,-2.5 30,-0.2 -1,-0.3 0.613 91.1 65.9 -67.1 -14.7 5.1 2.3 25.6 58 65 A S G < S+ 0 0 1 -3,-2.4 2,-0.4 29,-0.2 31,-0.3 0.646 101.3 48.6 -76.7 -18.2 6.3 3.4 22.1 59 66 A S S < S- 0 0 11 -3,-1.3 28,-1.3 -4,-0.3 2,-1.0 -0.984 71.8-127.9-140.3 136.3 8.1 6.5 23.3 60 67 A W B S-I 86 0C 37 29,-2.2 26,-0.2 -2,-0.4 31,-0.2 -0.734 90.5 -34.9 -82.8 101.3 10.5 7.8 25.9 61 68 A F S S+ 0 0 64 24,-3.0 2,-0.3 -2,-1.0 -1,-0.2 0.878 97.2 136.6 52.4 56.7 8.8 10.8 27.6 62 69 A K - 0 0 43 -3,-0.3 23,-0.2 21,-0.3 -1,-0.2 -0.881 52.2-140.5-118.5 161.9 7.0 12.2 24.6 63 70 A N S S+ 0 0 118 -2,-0.3 19,-1.8 1,-0.2 2,-0.3 0.406 85.0 35.7-105.6 5.8 3.4 13.5 24.5 64 71 A R B S-J 81 0D 101 17,-0.3 17,-0.2 -9,-0.1 -1,-0.2 -0.979 81.5-116.4-154.8 138.9 2.4 12.2 21.1 65 72 A T - 0 0 4 15,-2.4 2,-0.3 -2,-0.3 14,-0.1 -0.321 29.8-145.0 -68.1 161.5 3.3 9.0 19.2 66 73 A E - 0 0 74 13,-0.1 3,-0.1 -8,-0.1 10,-0.0 -0.963 14.2-114.1-128.5 147.8 5.2 9.3 15.9 67 74 A A - 0 0 19 -2,-0.3 5,-0.2 1,-0.1 3,-0.1 -0.575 43.4 -98.5 -75.0 141.9 5.1 7.3 12.7 68 75 A P > - 0 0 18 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.286 57.8 -82.2 -56.4 143.7 8.2 5.3 11.9 69 76 A L T 3 S+ 0 0 39 1,-0.3 357,-0.1 2,-0.2 356,-0.0 -0.293 119.0 21.4 -59.4 127.9 10.4 7.2 9.4 70 77 A G T 3 S+ 0 0 1 355,-0.6 -1,-0.3 -3,-0.1 3,-0.2 0.054 111.8 75.2 103.8 -22.1 9.0 6.7 5.8 71 78 A S X> + 0 0 1 -3,-2.6 4,-2.7 1,-0.1 3,-2.0 0.401 53.0 109.0-107.1 0.0 5.5 5.7 6.9 72 79 A F H 3> S+ 0 0 100 353,-0.5 4,-1.9 -4,-0.3 5,-0.2 0.838 74.8 60.6 -48.4 -42.8 3.9 9.0 8.0 73 80 A L H 34 S+ 0 0 83 352,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.794 121.5 24.7 -62.1 -22.6 1.5 9.1 5.0 74 81 A W H <4 S+ 0 0 56 -3,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.695 127.6 42.7-109.2 -29.0 -0.0 5.8 6.1 75 82 A L H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.496 86.2 85.1-107.3 -3.9 0.6 5.7 9.9 76 83 A D G >< S+ 0 0 56 -4,-1.9 3,-1.7 -5,-0.4 -1,-0.2 0.885 82.0 68.3 -63.6 -29.0 -0.2 9.2 11.0 77 84 A V G 3 S+ 0 0 109 1,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.744 100.3 47.6 -62.5 -22.3 -3.8 8.1 11.2 78 85 A V G < S+ 0 0 28 -3,-1.2 -1,-0.3 -27,-0.1 -2,-0.2 0.453 85.8 116.3 -95.2 -2.7 -2.9 5.8 14.2 79 86 A N < + 0 0 5 -3,-1.7 2,-0.3 -4,-0.4 -13,-0.1 -0.394 42.0 177.0 -69.0 147.7 -0.9 8.5 16.1 80 87 A R - 0 0 141 -2,-0.1 -15,-2.4 -25,-0.0 2,-0.1 -0.976 35.8 -95.6-144.7 155.9 -2.4 9.5 19.4 81 88 A N B -J 64 0D 122 -2,-0.3 2,-0.3 -17,-0.2 -17,-0.3 -0.481 48.2-174.3 -68.4 143.5 -1.6 11.8 22.4 82 89 A I - 0 0 24 -19,-1.8 -27,-0.0 -2,-0.1 3,-0.0 -0.964 29.1-103.1-139.0 156.1 0.1 9.9 25.2 83 90 A D - 0 0 108 -2,-0.3 -21,-0.3 1,-0.1 2,-0.2 -0.579 50.1 -99.0 -70.5 138.1 1.3 10.5 28.7 84 91 A P + 0 0 66 0, 0.0 2,-0.3 0, 0.0 -21,-0.1 -0.483 64.0 161.5 -61.2 126.4 5.0 11.0 29.0 85 92 A Y - 0 0 28 -26,-0.4 -24,-3.0 -2,-0.2 2,-2.4 -0.951 55.4 -92.2-147.8 160.9 6.2 7.6 30.1 86 93 A A B +I 60 0C 0 177,-1.8 -50,-0.4 -2,-0.3 -26,-0.2 -0.341 65.5 166.1 -78.0 60.2 9.4 5.4 30.3 87 94 A G - 0 0 0 -2,-2.4 -29,-0.2 -28,-1.3 -30,-0.2 -0.017 45.1-105.1 -77.5-178.3 8.7 3.9 26.8 88 95 A V S S+ 0 0 0 -31,-2.5 15,-2.3 124,-0.1 2,-0.5 0.725 93.5 56.4 -90.6 -23.9 11.1 1.8 24.7 89 96 A L E -K 102 0E 20 -31,-0.3 -29,-2.2 13,-0.2 2,-0.6 -0.952 60.8-165.1-118.3 123.4 12.2 4.1 21.8 90 97 A D E -K 101 0E 14 11,-3.1 11,-2.2 -2,-0.5 2,-0.8 -0.935 8.1-160.7-111.5 114.2 13.8 7.5 22.4 91 98 A R E -K 100 0E 77 -2,-0.6 2,-0.7 9,-0.2 9,-0.2 -0.858 16.9-158.3 -85.7 107.5 14.1 10.0 19.6 92 99 A V E -K 99 0E 17 7,-3.3 7,-2.7 -2,-0.8 2,-0.6 -0.840 7.1-149.3 -93.2 113.5 16.9 12.3 20.9 93 100 A N E +K 98 0E 85 -2,-0.7 5,-0.2 5,-0.2 2,-0.2 -0.764 20.4 173.0 -95.6 119.5 16.7 15.7 19.1 94 101 A Y - 0 0 28 3,-2.7 3,-0.4 -2,-0.6 299,-0.1 -0.536 53.9 -80.0-102.8 177.8 19.8 17.7 18.6 95 102 A D S S- 0 0 115 297,-0.5 298,-0.1 1,-0.2 300,-0.1 0.860 121.2 -2.8 -47.7 -51.0 20.0 20.9 16.5 96 103 A Q S S+ 0 0 53 298,-0.4 2,-0.3 296,-0.3 -1,-0.2 0.003 126.2 63.6-137.5 28.5 20.1 19.3 13.1 97 104 A M - 0 0 3 -3,-0.4 -3,-2.7 295,-0.1 2,-0.5 -0.941 56.4-156.9-156.2 132.7 20.1 15.5 13.9 98 105 A S E -Kl 93 437E 13 338,-2.0 340,-1.8 -2,-0.3 2,-0.5 -0.970 16.3-162.6-113.0 119.2 17.6 13.2 15.6 99 106 A V E -Kl 92 438E 0 -7,-2.7 -7,-3.3 -2,-0.5 2,-0.4 -0.890 6.0-148.8-106.8 126.1 19.2 10.1 17.0 100 107 A Y E +K 91 0E 33 338,-2.9 2,-0.3 -2,-0.5 -9,-0.2 -0.800 24.3 167.2 -97.9 132.0 17.0 7.1 17.8 101 108 A V E -K 90 0E 27 -11,-2.2 -11,-3.1 -2,-0.4 2,-0.2 -0.977 33.0-111.7-141.0 152.5 18.0 4.8 20.7 102 109 A G E -K 89 0E 11 -2,-0.3 2,-0.4 -13,-0.2 6,-0.3 -0.553 21.3-156.8 -82.1 151.9 16.5 2.1 22.8 103 110 A R + 0 0 37 -15,-2.3 -67,-0.5 4,-0.3 2,-0.3 -0.938 51.8 51.1-130.9 109.9 15.6 2.5 26.5 104 111 A G S > S- 0 0 0 -2,-0.4 3,-2.7 -69,-0.3 2,-0.7 -0.898 98.6 -36.1 152.5 177.5 15.4 -0.6 28.6 105 112 A V T 3 S+ 0 0 2 -69,-2.6 -67,-0.3 1,-0.3 117,-0.3 -0.571 133.5 28.2 -71.3 109.7 17.1 -3.8 29.7 106 113 A G T > S- 0 0 0 -2,-0.7 3,-1.9 -95,-0.4 115,-0.3 0.229 95.7-148.0 114.6 -9.0 18.7 -4.7 26.4 107 114 A G G X S- 0 0 8 -3,-2.7 3,-2.0 1,-0.3 4,-0.4 -0.149 73.5 -2.4 51.6-137.1 19.1 -1.2 25.0 108 115 A G G >> S+ 0 0 26 -6,-0.3 4,-1.8 1,-0.3 3,-0.8 0.692 120.2 78.0 -63.7 -18.5 18.8 -0.9 21.2 109 116 A S G <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.734 88.9 59.4 -60.8 -22.0 18.5 -4.7 20.9 110 117 A L G <4 S+ 0 0 1 -3,-2.0 104,-0.4 -4,-0.2 -1,-0.2 0.860 118.9 24.7 -69.9 -36.8 14.9 -4.2 22.0 111 118 A V T <4 S+ 0 0 16 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.1 0.446 97.4 104.6-109.9 -8.7 14.0 -1.9 19.0 112 119 A N S < S- 0 0 37 -4,-1.8 101,-0.1 1,-0.1 100,-0.0 -0.194 77.9-111.4 -82.5 172.1 16.4 -2.7 16.3 113 120 A G - 0 0 23 2,-0.1 75,-0.2 1,-0.1 3,-0.1 0.378 45.4-121.3 -83.0 4.8 15.8 -4.7 13.1 114 121 A G + 0 0 0 1,-0.2 73,-1.6 72,-0.1 2,-0.4 0.432 54.2 158.0 77.1 -2.2 18.0 -7.6 14.2 115 122 A M B -M 186 0F 6 71,-0.2 2,-0.7 72,-0.1 365,-0.3 -0.470 22.5-166.2 -70.7 119.8 20.3 -7.4 11.3 116 123 A A + 0 0 5 69,-2.4 2,-0.4 -2,-0.4 -1,-0.1 -0.904 18.2 163.8-115.1 101.5 23.6 -9.1 12.3 117 124 A V - 0 0 15 -2,-0.7 365,-0.4 361,-0.4 364,-0.3 -0.976 32.0-139.7-130.6 128.0 26.3 -8.2 9.8 118 125 A E - 0 0 85 -2,-0.4 360,-0.1 363,-0.1 2,-0.1 -0.658 32.5-117.0 -77.0 142.2 30.1 -8.5 10.0 119 126 A P - 0 0 5 0, 0.0 2,-0.3 0, 0.0 357,-0.1 -0.378 36.6 -88.9 -73.7 160.3 32.0 -5.6 8.5 120 127 A K >> - 0 0 85 355,-0.3 4,-2.6 1,-0.1 3,-0.7 -0.509 35.5-133.4 -64.9 130.9 34.3 -6.1 5.5 121 128 A R H 3> S+ 0 0 83 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.896 104.3 53.4 -59.6 -41.1 37.7 -6.9 6.9 122 129 A S H 3> S+ 0 0 56 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.847 111.8 47.1 -63.7 -30.5 39.5 -4.5 4.6 123 130 A Y H <> S+ 0 0 7 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.896 108.7 53.4 -75.3 -41.1 37.2 -1.7 5.9 124 131 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.916 108.9 50.9 -52.2 -46.7 37.7 -2.8 9.5 125 132 A E H < S+ 0 0 77 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.848 110.3 50.1 -64.8 -32.0 41.4 -2.5 8.9 126 133 A E H < S+ 0 0 94 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.916 116.3 39.2 -69.3 -44.9 40.9 1.0 7.5 127 134 A I H < S+ 0 0 25 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.802 129.6 28.1 -80.3 -28.5 38.8 2.4 10.3 128 135 A L >< + 0 0 10 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 -0.534 65.8 159.4-131.5 64.4 40.8 0.7 13.2 129 136 A P T 3 S+ 0 0 103 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.676 72.8 61.8 -63.8 -20.9 44.4 0.2 12.0 130 137 A R T 3 S+ 0 0 171 -3,-0.1 2,-0.3 2,-0.1 323,-0.1 0.579 89.4 86.7 -81.6 -9.6 45.7 -0.1 15.6 131 138 A V S < S- 0 0 11 -3,-1.8 2,-0.9 -7,-0.2 -3,-0.1 -0.713 86.2-115.8 -92.2 142.4 43.6 -3.2 16.2 132 139 A D > - 0 0 86 -2,-0.3 4,-1.1 1,-0.2 3,-0.3 -0.613 28.0-167.8 -77.0 107.1 44.8 -6.8 15.4 133 140 A S H > S+ 0 0 16 -2,-0.9 4,-2.5 1,-0.2 5,-0.2 0.772 78.6 64.4 -70.9 -28.5 42.3 -7.8 12.7 134 141 A S H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.914 103.3 47.9 -62.3 -43.8 43.3 -11.5 12.8 135 142 A E H >>S+ 0 0 36 -3,-0.3 5,-1.9 2,-0.2 4,-1.6 0.839 111.4 52.3 -67.8 -29.3 42.1 -11.9 16.4 136 143 A M H <>S+ 0 0 0 -4,-1.1 5,-3.2 3,-0.2 -2,-0.2 0.956 118.1 34.7 -66.0 -50.9 38.9 -10.1 15.5 137 144 A Y H <5S+ 0 0 38 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.838 123.6 43.7 -77.3 -31.1 38.1 -12.3 12.6 138 145 A D H <5S+ 0 0 121 -4,-2.8 -3,-0.2 -5,-0.2 -1,-0.2 0.818 134.3 3.9 -79.1 -34.4 39.5 -15.6 14.0 139 146 A R T X5S+ 0 0 114 -4,-1.6 4,-1.6 -5,-0.3 -3,-0.2 0.746 125.5 42.4-120.2 -55.8 38.1 -15.3 17.6 140 147 A Y H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.897 111.0 51.2 -59.0 -38.7 32.7 -15.9 15.8 143 150 A R H X S+ 0 0 68 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.946 112.3 46.3 -62.9 -47.8 32.2 -15.7 19.5 144 151 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 6,-0.2 0.905 109.4 55.5 -57.6 -47.2 29.7 -12.8 19.0 145 152 A N H <>S+ 0 0 66 -4,-2.5 5,-1.7 -5,-0.2 4,-0.5 0.914 113.1 40.8 -54.6 -47.3 27.9 -14.7 16.2 146 153 A S H ><5S+ 0 0 89 -4,-2.0 3,-1.1 -5,-0.2 -2,-0.2 0.947 116.4 47.0 -69.9 -47.8 27.3 -17.6 18.4 147 154 A M H 3<5S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.860 109.2 54.0 -66.2 -34.2 26.3 -15.8 21.6 148 155 A L T 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.629 108.2-125.1 -73.2 -13.1 23.9 -13.4 19.8 149 156 A R T < 5 - 0 0 131 -3,-1.1 -3,-0.2 -4,-0.5 70,-0.1 0.838 38.1-172.7 65.7 40.7 22.1 -16.4 18.3 150 157 A V < + 0 0 20 -5,-1.7 2,-0.3 -6,-0.2 37,-0.2 -0.378 7.1 178.2 -57.6 139.3 22.5 -15.1 14.7 151 158 A N B -N 186 0F 35 35,-2.6 35,-2.4 37,-0.1 2,-0.4 -0.877 21.8-122.1-142.3 177.2 20.5 -17.2 12.3 152 159 A H - 0 0 122 -2,-0.3 186,-0.0 33,-0.2 38,-0.0 -0.945 23.9-112.8-132.7 133.7 19.8 -17.4 8.6 153 160 A I - 0 0 14 -2,-0.4 2,-0.7 31,-0.2 3,-0.1 -0.332 34.1-110.0 -65.8 146.3 16.6 -17.3 6.6 154 161 A D > - 0 0 73 1,-0.2 4,-2.6 36,-0.1 5,-0.2 -0.709 29.7-153.4 -71.3 114.0 15.6 -20.4 4.6 155 162 A T H > S+ 0 0 73 -2,-0.7 4,-1.3 1,-0.2 -1,-0.2 0.774 91.0 52.6 -72.8 -27.0 16.1 -19.1 1.1 156 163 A K H > S+ 0 0 78 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.914 111.1 46.5 -69.7 -44.4 13.6 -21.4 -0.4 157 164 A W H >> S+ 0 0 36 1,-0.2 4,-1.8 2,-0.2 3,-0.6 0.948 109.6 56.1 -61.9 -41.5 10.9 -20.2 2.1 158 165 A F H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 6,-0.2 0.889 104.8 52.9 -48.5 -47.2 12.0 -16.6 1.4 159 166 A E H 3< S+ 0 0 72 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 115.0 39.5 -63.7 -34.9 11.3 -17.1 -2.3 160 167 A D H << S+ 0 0 131 -4,-1.2 2,-0.3 -3,-0.6 -1,-0.2 0.668 91.3 98.6 -94.1 -25.2 7.8 -18.4 -1.8 161 168 A T >< - 0 0 14 -4,-1.8 3,-1.6 -5,-0.1 4,-0.1 -0.467 62.5-144.0 -85.0 139.7 6.3 -16.3 0.9 162 169 A E G > S+ 0 0 103 -2,-0.3 3,-1.9 1,-0.3 4,-0.3 0.838 96.7 72.8 -56.4 -34.6 4.1 -13.3 0.4 163 170 A W G 3 S+ 0 0 32 1,-0.3 171,-2.7 2,-0.1 -1,-0.3 0.569 101.3 41.6 -64.2 -13.5 5.8 -11.6 3.4 164 171 A Y G X> S+ 0 0 0 -3,-1.6 4,-2.0 -6,-0.2 3,-0.7 0.175 76.2 109.9-118.7 14.9 9.0 -11.0 1.4 165 172 A K H <> S+ 0 0 84 -3,-1.9 4,-2.5 167,-0.4 5,-0.2 0.900 77.1 59.2 -53.9 -40.3 7.4 -9.9 -1.9 166 173 A F H 3> S+ 0 0 5 163,-0.4 4,-1.7 -4,-0.3 -1,-0.3 0.871 106.7 46.4 -58.5 -37.7 8.7 -6.4 -1.1 167 174 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.886 110.7 51.9 -71.4 -41.3 12.3 -7.7 -1.0 168 175 A R H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.872 106.7 54.1 -63.1 -37.7 11.9 -9.7 -4.2 169 176 A V H X S+ 0 0 19 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.961 111.0 44.7 -63.8 -48.6 10.6 -6.7 -6.1 170 177 A S H X S+ 0 0 1 -4,-1.7 4,-2.9 -5,-0.2 5,-0.3 0.891 110.6 55.2 -64.1 -35.2 13.6 -4.6 -5.1 171 178 A R H X S+ 0 0 71 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.937 110.0 46.5 -60.5 -44.3 15.9 -7.6 -6.0 172 179 A E H X S+ 0 0 94 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.928 114.2 47.0 -60.2 -48.5 14.4 -7.7 -9.5 173 180 A Q H X S+ 0 0 0 -4,-2.4 4,-0.7 1,-0.2 3,-0.4 0.927 113.1 48.0 -62.8 -48.4 14.7 -4.0 -10.0 174 181 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-1.0 0.888 106.8 59.3 -55.4 -42.2 18.3 -3.9 -8.7 175 182 A G H ><5S+ 0 0 44 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.791 98.6 56.8 -60.7 -31.1 19.1 -6.8 -11.0 176 183 A K H 3<5S+ 0 0 108 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.761 105.4 52.4 -70.5 -24.3 18.1 -4.8 -14.0 177 184 A A T <<5S- 0 0 10 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.359 126.7-103.4 -90.4 5.8 20.7 -2.2 -12.9 178 185 A G T < 5S+ 0 0 59 -3,-1.2 2,-0.4 1,-0.3 -3,-0.2 0.641 81.3 129.9 74.5 29.2 23.3 -5.0 -12.8 179 186 A L < - 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