==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 09-JUL-12 4G0I . COMPND 2 MOLECULE: PROTEIN YQJG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.R.GREEN,R.P.HAYES,L.XUN,C.KANG . 654 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27492.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 47 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 2 1 0 1 2 0 2 3 3 2 2 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 PARALLEL BRIDGES PER LADDER . 10 0 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 2 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 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 G 0 0 23 0, 0.0 8,-0.5 0, 0.0 10,-0.2 0.000 360.0 360.0 360.0-134.9 -55.7 32.2 19.6 2 3 A Q - 0 0 14 6,-0.1 7,-2.7 8,-0.1 2,-0.4 0.779 360.0-129.1 66.3 131.4 -59.2 31.9 18.2 3 4 A L B +AB 8 128A 0 125,-2.0 125,-2.0 5,-0.2 5,-0.3 -0.870 21.3 179.8 -96.0 142.2 -61.2 29.4 16.1 4 5 A I S S- 0 0 25 3,-2.6 4,-0.1 -2,-0.4 -1,-0.1 0.711 77.5 -39.9-116.6 -40.3 -62.9 30.9 13.1 5 6 A D S S- 0 0 75 2,-0.5 122,-0.1 123,-0.0 3,-0.1 0.655 120.4 -69.4-124.3 -26.6 -64.7 28.0 11.6 6 7 A G S S+ 0 0 13 119,-0.2 2,-0.2 -4,-0.1 120,-0.1 0.822 97.5 125.0-148.7 173.4 -62.3 26.8 12.3 7 8 A V - 0 0 72 -5,-0.1 -3,-2.6 118,-0.1 -2,-0.5 -0.536 60.9-122.5 81.3 59.6 -59.7 27.0 11.4 8 9 A W B -A 3 0A 21 -5,-0.3 2,-0.6 -2,-0.2 -5,-0.2 -0.676 25.3-150.1 -65.8 130.0 -57.6 27.7 14.4 9 10 A H - 0 0 44 -7,-2.7 4,-0.2 -8,-0.5 -1,-0.0 -0.850 7.1-143.8-116.9 99.6 -55.9 31.0 13.5 10 11 A D S S- 0 0 44 -2,-0.6 84,-0.1 1,-0.3 -1,-0.1 0.510 83.4 -37.4 -43.0 -8.7 -52.5 31.0 15.2 11 12 A T S S+ 0 0 85 -10,-0.2 2,-4.9 -9,-0.1 -1,-0.3 0.212 110.6 106.2 178.3 -31.8 -52.9 34.6 15.7 12 13 A W > + 0 0 139 1,-0.1 2,-1.1 -10,-0.1 3,-0.7 -0.098 48.4 169.6 -66.6 46.5 -54.6 36.1 12.7 13 14 A Y T 3 - 0 0 96 -2,-4.9 -1,-0.1 1,-0.4 -11,-0.1 -0.529 66.3 -22.6 -99.3 68.7 -57.6 36.4 14.9 14 15 A D T 3 - 0 0 46 -2,-1.1 2,-0.9 3,-0.1 -1,-0.4 0.631 50.6-113.1-150.2-159.6 -58.3 37.8 12.7 15 16 A T S < S- 0 0 121 -3,-0.7 -3,-0.0 2,-0.0 -2,-0.0 -0.302 92.1 -77.4 -49.9 94.0 -58.2 39.9 9.4 16 17 A K - 0 0 170 -2,-0.9 0, 0.0 2,-0.1 0, 0.0 0.014 67.5 -71.6 44.5-140.0 -59.7 42.9 11.4 17 18 A S S S+ 0 0 68 3,-0.1 -3,-0.1 4,-0.0 -2,-0.0 0.621 73.7 135.8-103.3 -87.4 -63.5 42.7 12.1 18 19 A T S S+ 0 0 133 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.703 83.5 36.6 49.1 19.8 -65.5 43.2 8.8 19 20 A G S S- 0 0 57 4,-0.0 2,-0.0 0, 0.0 0, 0.0 0.338 97.7-158.2 116.1 100.2 -67.6 40.3 10.1 20 21 A G + 0 0 25 3,-0.0 3,-0.4 -2,-0.0 -3,-0.1 -0.187 35.1 37.5 151.4 91.6 -68.2 39.9 12.8 21 22 A K S S- 0 0 140 1,-0.2 5,-0.3 2,-0.1 106,-0.1 0.542 75.0-101.7 81.3 13.3 -69.0 39.2 16.4 22 23 A F S S- 0 0 45 1,-0.2 107,-0.2 3,-0.1 -1,-0.2 0.519 85.7-174.7 -2.4 58.5 -67.4 35.7 16.9 23 24 A Q + 0 0 32 -3,-0.4 4,-0.2 2,-0.3 -1,-0.2 0.005 22.6 17.1-178.4 -96.4 -70.1 35.6 16.6 24 25 A R S S+ 0 0 195 2,-0.1 3,-0.2 103,-0.1 -2,-0.1 0.425 121.6 66.9 -94.0 -17.2 -73.2 33.7 16.5 25 26 A S S > S+ 0 0 13 102,-0.2 3,-0.8 1,-0.2 -2,-0.3 0.379 77.5 86.6 -82.6 -2.5 -70.7 31.4 18.3 26 27 A A G > S+ 0 0 44 -5,-0.3 3,-0.6 1,-0.2 2,-0.4 0.997 93.6 38.2 -55.5 -71.7 -70.6 34.0 21.2 27 28 A S G > S+ 0 0 83 1,-0.2 3,-0.5 -3,-0.2 -1,-0.2 0.107 87.9 119.5 -65.6 17.1 -73.6 32.5 23.1 28 29 A A G < S+ 0 0 28 -3,-0.8 2,-0.6 -2,-0.4 -1,-0.2 0.892 71.2 32.8 -73.0 -36.3 -72.5 29.0 22.2 29 30 A F G < S+ 0 0 11 -3,-0.6 117,-2.1 -4,-0.2 118,-0.3 -0.511 74.7 114.0-127.7 79.0 -71.9 27.4 25.5 30 31 A R B < +C 145 0B 81 -2,-0.6 2,-0.2 -3,-0.5 115,-0.2 -0.278 35.0 130.3-128.8 46.3 -74.2 28.7 28.2 31 32 A N - 0 0 20 113,-2.4 2,-0.4 112,-0.2 12,-0.2 -0.628 48.7-127.5 -90.6 174.0 -76.4 25.8 29.1 32 33 A W - 0 0 39 12,-0.6 15,-0.4 10,-0.4 2,-0.3 -0.940 4.5-133.3-124.3 135.4 -76.9 24.8 32.8 33 34 A L - 0 0 4 -2,-0.4 2,-0.3 13,-0.1 15,-0.2 -0.637 39.2-175.6 -70.4 134.8 -76.5 21.6 34.7 34 35 A T B -g 48 0C 24 13,-1.7 15,-2.3 -2,-0.3 6,-0.1 -0.862 39.8-113.8-135.9 158.1 -79.8 21.2 36.9 35 36 A A S S+ 0 0 65 -2,-0.3 -1,-0.1 13,-0.2 13,-0.1 0.809 117.6 24.8 -59.3 -28.8 -81.1 18.8 39.5 36 37 A D S S- 0 0 115 12,-0.1 12,-0.2 2,-0.1 -1,-0.2 0.442 108.5-106.8-126.4 5.0 -83.9 17.7 37.1 37 38 A G S S+ 0 0 15 10,-0.3 9,-3.4 1,-0.3 10,-0.3 0.464 70.5 139.6 90.8 -3.6 -82.7 18.4 33.5 38 39 A A - 0 0 40 7,-0.2 -1,-0.3 1,-0.1 9,-0.3 -0.252 65.6 -92.1 -62.0 156.1 -84.9 21.4 32.9 39 40 A P - 0 0 81 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 -0.480 39.8-135.4 -66.2 147.7 -83.2 24.2 31.1 40 41 A G - 0 0 19 4,-0.6 -6,-0.1 2,-0.5 -8,-0.0 -0.176 49.7 -66.1 -85.6-159.5 -81.6 26.8 33.3 41 42 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -10,-0.1 0.670 122.0 22.9 -65.4 -23.0 -82.0 30.6 32.7 42 43 A T S S+ 0 0 62 -12,-0.2 -2,-0.5 2,-0.1 -10,-0.4 -0.875 109.4 21.8-128.2 167.1 -80.1 30.4 29.3 43 44 A G S S- 0 0 48 -2,-0.3 2,-0.2 -12,-0.2 -12,-0.2 -0.280 93.9 -58.4 83.8-159.8 -79.3 27.5 26.8 44 45 A T - 0 0 89 1,-0.1 -12,-0.6 -6,-0.1 -4,-0.6 -0.664 47.0-111.6-118.2-174.6 -81.4 24.3 26.6 45 46 A G S S+ 0 0 25 -6,-0.2 -7,-0.2 -2,-0.2 -1,-0.1 -0.155 72.8 97.3-109.8-171.2 -82.3 21.5 29.1 46 47 A G + 0 0 39 -9,-3.4 2,-0.4 -2,-0.1 -1,-0.1 0.469 56.5 105.7 107.7 -13.2 -81.1 18.0 29.0 47 48 A F + 0 0 13 -15,-0.4 -13,-1.7 -10,-0.3 -10,-0.3 -0.455 43.9 170.8-109.7 62.1 -78.3 18.4 31.5 48 49 A I B -g 34 0C 66 -2,-0.4 2,-0.3 -15,-0.2 -13,-0.2 -0.415 41.2-106.8 -70.5 147.4 -79.6 16.7 34.5 49 50 A A + 0 0 6 -15,-2.3 2,-0.3 109,-0.2 -1,-0.1 -0.542 59.6 139.0 -71.7 136.4 -77.0 16.2 37.2 50 51 A E > - 0 0 69 -2,-0.3 3,-0.7 30,-0.1 4,-0.5 -0.976 51.6 -82.8-167.4 167.7 -75.8 12.6 37.6 51 52 A K T 3 S+ 0 0 130 -2,-0.3 29,-0.1 1,-0.2 30,-0.1 -0.332 102.7 15.7 -74.8 160.7 -72.6 10.5 38.1 52 53 A D T 3 S+ 0 0 132 27,-0.4 -1,-0.2 1,-0.1 29,-0.1 0.622 103.2 85.3 52.7 23.5 -70.4 9.6 35.3 53 54 A R S < S+ 0 0 4 -3,-0.7 85,-3.7 27,-0.4 86,-0.4 0.728 73.4 64.0-113.1 -33.3 -71.5 12.0 32.8 54 55 A Y E -dE 81 137B 0 26,-0.6 28,-1.3 -4,-0.5 2,-0.3 -0.725 51.2-177.9-110.8 150.8 -69.7 15.4 33.3 55 56 A H E -dE 82 136B 0 81,-2.9 81,-3.8 -2,-0.3 2,-0.5 -0.935 17.0-139.2-142.6 150.7 -66.0 16.3 33.1 56 57 A L E -dE 83 135B 0 26,-2.6 28,-2.4 -2,-0.3 2,-0.6 -0.976 6.1-163.4-120.7 119.7 -63.9 19.5 33.7 57 58 A Y E +dE 84 134B 0 77,-2.1 77,-2.6 -2,-0.5 2,-0.3 -0.945 31.5 160.8 -93.6 124.5 -61.1 20.6 31.4 58 59 A V E -d 85 0B 0 26,-2.7 28,-2.4 -2,-0.6 2,-0.4 -0.885 41.1-132.1-134.2 161.4 -59.0 23.2 33.4 59 60 A S - 0 0 0 -2,-0.3 3,-0.4 26,-0.2 6,-0.1 -0.961 15.3-145.5-104.3 141.5 -55.7 25.0 33.6 60 61 A L S S+ 0 0 21 -2,-0.4 227,-0.4 26,-0.3 231,-0.2 0.579 100.0 56.3 -67.7 -12.0 -54.1 25.1 37.1 61 62 A A S S+ 0 0 0 229,-0.1 -1,-0.2 225,-0.1 3,-0.0 0.717 88.2 83.2 -90.2 -31.3 -52.8 28.6 36.1 62 63 A C > - 0 0 16 -3,-0.4 4,-2.4 1,-0.1 -3,-0.2 -0.724 66.4-149.0 -88.2 131.8 -56.0 30.3 35.2 63 64 A P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.874 97.4 57.2 -68.9 -34.0 -58.2 31.9 38.0 64 65 A W H > S+ 0 0 130 1,-0.2 4,-0.8 2,-0.2 3,-0.1 0.923 111.8 40.6 -60.3 -46.2 -61.4 31.2 36.3 65 66 A A H > S+ 0 0 0 1,-0.2 4,-1.7 67,-0.2 3,-0.3 0.852 109.5 61.2 -68.8 -35.1 -60.7 27.6 36.1 66 67 A H H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.896 97.1 57.9 -55.9 -41.1 -59.3 27.5 39.6 67 68 A R H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.904 102.6 54.4 -63.5 -35.4 -62.5 28.6 41.0 68 69 A T H X S+ 0 0 0 -4,-0.8 4,-2.2 -3,-0.3 -1,-0.2 0.938 110.6 47.3 -66.7 -37.8 -64.4 25.5 39.4 69 70 A L H X S+ 0 0 11 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.840 109.9 51.3 -69.5 -33.5 -61.9 23.2 41.1 70 71 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.927 111.7 46.4 -65.6 -45.8 -62.2 24.9 44.4 71 72 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 6,-0.3 0.924 107.9 57.9 -69.1 -33.3 -66.0 24.6 44.3 72 73 A R H <>S+ 0 0 43 -4,-2.2 5,-2.8 -5,-0.2 6,-0.5 0.925 111.3 42.9 -59.8 -41.4 -65.6 20.9 43.2 73 74 A K H ><5S+ 0 0 32 -4,-1.6 3,-1.3 3,-0.2 -2,-0.2 0.958 115.1 47.1 -66.2 -49.5 -63.6 20.2 46.5 74 75 A L H 3<5S+ 0 0 22 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.841 115.8 45.8 -62.2 -38.6 -65.9 22.3 48.8 75 76 A K T 3<5S- 0 0 1 -4,-2.6 90,-2.1 -5,-0.3 -1,-0.3 0.471 108.1-123.6 -83.3 -2.9 -69.0 20.7 47.4 76 77 A G T < 5 + 0 0 8 -3,-1.3 -3,-0.2 -4,-0.2 -4,-0.1 0.916 62.5 143.9 67.2 36.6 -67.5 17.1 47.5 77 78 A L >>< + 0 0 0 -5,-2.8 3,-1.8 -6,-0.3 4,-1.7 0.349 32.2 104.7 -91.3 2.7 -68.2 16.7 43.7 78 79 A E T 34 S+ 0 0 59 -6,-0.5 3,-0.2 1,-0.3 -1,-0.2 0.918 77.5 57.0 -51.5 -38.7 -65.0 14.6 43.0 79 80 A P T 34 S+ 0 0 77 0, 0.0 -27,-0.4 0, 0.0 -1,-0.3 0.759 117.5 35.2 -63.9 -23.5 -67.2 11.4 42.8 80 81 A F T <4 S+ 0 0 16 -3,-1.8 -26,-0.6 1,-0.2 2,-0.5 0.603 114.7 47.6-100.9 -21.1 -69.2 13.1 40.0 81 82 A I E < -d 54 0B 1 -4,-1.7 -26,-0.2 -3,-0.2 -1,-0.2 -0.966 62.6-163.0-129.0 121.2 -66.8 15.2 38.0 82 83 A S E -d 55 0B 38 -28,-1.3 -26,-2.6 -2,-0.5 2,-0.4 -0.585 16.9-142.5 -94.7 169.7 -63.5 14.0 36.7 83 84 A V E -d 56 0B 35 -28,-0.2 2,-0.4 -2,-0.2 -26,-0.2 -0.976 18.2-165.6-142.4 137.5 -60.9 16.4 35.5 84 85 A S E -d 57 0B 0 -28,-2.4 -26,-2.7 -2,-0.4 2,-0.6 -0.954 17.9-146.0-115.4 149.4 -58.1 17.0 32.9 85 86 A V E -d 58 0B 13 -2,-0.4 20,-1.4 21,-0.4 21,-0.8 -0.916 10.7-141.0-118.3 111.4 -55.5 19.6 33.2 86 87 A V - 0 0 0 -28,-2.4 -26,-0.3 -2,-0.6 11,-0.2 -0.056 36.5 -87.8 -57.6 166.2 -54.2 21.3 30.1 87 88 A N - 0 0 4 9,-2.8 9,-0.4 2,-0.1 -1,-0.1 -0.568 35.0-127.6 -75.2 148.4 -50.5 22.2 29.8 88 89 A P S S+ 0 0 0 0, 0.0 2,-0.5 0, 0.0 210,-0.1 0.794 85.5 84.0 -75.3 -26.2 -49.5 25.7 31.4 89 90 A L - 0 0 27 208,-0.1 2,-0.8 1,-0.0 7,-0.3 -0.683 60.4-169.9 -87.0 120.5 -47.7 27.1 28.3 90 91 A M + 0 0 60 -2,-0.5 5,-0.2 204,-0.3 -1,-0.0 -0.872 22.1 150.2-120.1 93.5 -50.1 28.5 26.0 91 92 A L B > -H 94 0D 75 -2,-0.8 3,-1.5 3,-0.6 -1,-0.0 0.391 63.7 -35.8-100.9-134.5 -48.4 29.4 22.8 92 93 A E T 3 S+ 0 0 103 1,-0.3 3,-0.1 2,-0.0 -2,-0.0 0.849 136.7 49.6 -78.4 -29.0 -49.5 29.6 19.1 93 94 A N T 3 S- 0 0 36 1,-0.2 23,-0.3 -82,-0.0 -1,-0.3 0.456 104.7-136.9 -78.2 2.5 -51.9 26.6 19.4 94 95 A G B < S+H 91 0D 2 -3,-1.5 -3,-0.6 -84,-0.1 -1,-0.2 -0.419 70.1 7.3 71.0-150.6 -53.6 28.1 22.7 95 96 A W S S- 0 0 16 35,-0.5 20,-2.2 -5,-0.2 21,-0.5 -0.490 79.4-166.1 -73.8 151.8 -54.1 25.5 25.4 96 97 A T B -I 114 0E 23 -9,-0.4 -9,-2.8 -7,-0.3 18,-0.3 -0.728 30.5-133.0-135.8 153.7 -52.6 22.1 24.7 97 98 A F + 0 0 9 16,-3.1 10,-0.2 -2,-0.2 17,-0.1 0.181 53.7 142.4 -97.7 20.8 -52.8 18.7 26.0 98 99 A D - 0 0 68 15,-0.3 8,-0.3 1,-0.1 3,-0.3 -0.357 34.0-165.9 -58.1 126.0 -49.1 18.2 26.2 99 100 A D + 0 0 108 6,-0.2 -1,-0.1 1,-0.2 5,-0.1 0.180 57.0 109.7-101.3 24.8 -48.4 16.2 29.3 100 101 A S + 0 0 95 2,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.436 67.6 76.7 -74.0 0.8 -44.6 16.8 29.5 101 102 A F S > S- 0 0 32 -3,-0.3 3,-2.7 3,-0.0 189,-0.0 -0.918 95.7-103.4-115.9 128.4 -45.2 19.0 32.6 102 103 A P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.268 109.0 18.6 -60.9 143.1 -46.0 17.5 36.0 103 104 A G T 3 S+ 0 0 42 1,-0.3 2,-0.4 -4,-0.1 -18,-0.1 0.154 92.5 116.1 64.6 -13.6 -49.6 17.8 36.8 104 105 A A < - 0 0 10 -3,-2.7 -1,-0.3 1,-0.1 -18,-0.2 -0.714 45.5-172.6 -73.2 131.4 -50.5 18.3 33.2 105 106 A T - 0 0 63 -20,-1.4 -6,-0.2 -2,-0.4 -1,-0.1 0.561 25.8-129.4 -98.8 -13.6 -52.7 15.1 32.5 106 107 A G - 0 0 9 -21,-0.8 2,-1.1 -8,-0.3 -21,-0.4 -0.113 57.8 -46.6 68.4 171.3 -53.3 15.3 28.7 107 108 A D > - 0 0 5 5,-0.6 4,-1.4 -10,-0.2 -23,-0.1 -0.655 61.2-167.9 -67.6 98.2 -56.9 14.9 27.6 108 109 A T T 4 S+ 0 0 72 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.284 78.4 47.6 -79.4 10.4 -57.8 11.9 29.7 109 110 A L T 4 S- 0 0 39 3,-0.1 -1,-0.2 -54,-0.0 -2,-0.1 0.752 132.5 -0.8-109.1 -64.4 -61.0 11.4 27.7 110 111 A Y T 4 S- 0 0 72 2,-0.0 -2,-0.1 0, 0.0 3,-0.1 0.248 84.1-128.3-109.8 8.4 -60.3 11.5 24.0 111 112 A Q < + 0 0 141 -4,-1.4 -3,-0.1 1,-0.1 -14,-0.0 0.824 44.7 168.8 29.7 46.9 -56.6 12.2 23.9 112 113 A N - 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0 0 67 -118,-0.5 4,-2.5 1,-0.2 3,-0.9 -0.839 55.0-161.8 -95.9 108.3 -13.0 57.3 36.6 476 149 B S H 3> S+ 0 0 6 -2,-0.8 4,-2.1 1,-0.3 5,-0.3 0.928 87.0 55.1 -55.7 -52.3 -15.6 57.5 39.5 477 150 B A H 3> S+ 0 0 15 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.800 113.2 42.5 -54.1 -28.7 -13.5 55.7 42.1 478 151 B E H <> S+ 0 0 23 -3,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.886 108.4 57.4 -92.2 -35.5 -10.6 58.2 41.6 479 152 B I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.896 108.4 47.1 -55.2 -41.0 -12.6 61.3 41.4 480 153 B I H X S+ 0 0 8 -4,-2.1 4,-1.0 -5,-0.2 -1,-0.2 0.913 110.8 52.2 -77.5 -28.8 -14.0 60.5 44.8 481 154 B R H >X S+ 0 0 54 -4,-1.1 3,-0.8 -5,-0.3 4,-0.5 0.939 107.0 52.6 -73.9 -33.3 -10.5 59.7 46.2 482 155 B M H >X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.3 3,-1.3 0.911 105.0 57.3 -60.2 -46.8 -9.2 63.1 44.9 483 156 B F H 3< S+ 0 0 0 -4,-1.9 4,-0.3 1,-0.3 -1,-0.3 0.731 91.0 71.3 -58.4 -28.2 -12.1 64.8 46.7 484 157 B N H << S- 0 0 6 -4,-1.0 -1,-0.3 -3,-0.8 11,-0.2 0.796 125.9 -9.8 -55.3 -34.8 -11.1 63.3 50.1 485 158 B T H X< S+ 0 0 72 -3,-1.3 3,-1.7 -4,-0.5 4,-0.5 0.603 102.0 94.5-141.5 -22.5 -8.0 65.6 50.2 486 159 B A T 3< S+ 0 0 6 -4,-2.7 -109,-0.2 1,-0.3 -3,-0.1 0.763 100.7 37.0 -62.1 -25.3 -7.1 67.6 47.3 487 160 B F T >>>S+ 0 0 0 -4,-0.3 5,-2.5 -5,-0.2 3,-0.5 0.233 84.4 102.6-108.0 8.2 -9.1 70.6 48.6 488 161 B D G X45S+ 0 0 71 -3,-1.7 3,-1.9 1,-0.3 -2,-0.1 0.968 80.7 51.4 -64.6 -45.1 -8.4 70.4 52.3 489 162 B A G 345S+ 0 0 99 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.804 108.8 53.1 -58.2 -28.0 -5.8 73.2 52.4 490 163 B L G <45S- 0 0 92 -3,-0.5 -1,-0.3 -4,-0.1 -2,-0.2 0.443 134.7 -81.8 -90.3 0.4 -8.2 75.5 50.6 491 164 B G T <<5 + 0 0 56 -3,-1.9 -3,-0.2 -4,-0.5 -2,-0.2 0.549 67.1 161.9 117.6 11.1 -10.9 74.9 53.1 492 165 B A < - 0 0 16 -5,-2.5 -88,-0.2 -7,-0.1 -1,-0.1 -0.209 51.1 -91.7 -52.1 153.7 -12.8 71.6 52.3 493 166 B K - 0 0 128 -90,-2.4 2,-0.1 1,-0.1 -6,-0.1 -0.370 51.4 -96.0 -58.5 147.8 -15.0 70.1 55.2 494 167 B A S S+ 0 0 97 -3,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.455 74.1 105.8 -66.1 143.4 -13.1 67.6 57.4 495 168 B G - 0 0 27 -11,-0.2 2,-0.4 -2,-0.1 -3,-0.0 -0.584 42.7-157.2 159.4 149.3 -13.6 64.0 56.5 496 169 B D - 0 0 74 -2,-0.2 -15,-0.1 1,-0.1 -11,-0.0 -0.911 6.4-176.8-144.9 112.3 -11.5 61.2 54.9 497 170 B Y S S+ 0 0 27 -2,-0.4 67,-3.1 1,-0.2 68,-0.4 0.476 82.4 45.8 -93.2 1.7 -13.6 58.4 53.4 498 171 B Y S S+ 0 0 34 65,-0.2 -1,-0.2 66,-0.1 5,-0.1 -0.447 77.7 175.4-136.8 54.9 -10.5 56.2 52.4 499 172 B P >> - 0 0 30 0, 0.0 3,-1.5 0, 0.0 4,-0.9 -0.390 38.9-122.2 -69.9 140.9 -8.2 56.3 55.4 500 173 B P G >4 S+ 0 0 101 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.831 110.4 59.7 -49.7 -37.7 -5.0 54.2 55.3 501 174 B A G 34 S+ 0 0 86 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.836 116.7 32.4 -57.3 -37.9 -6.0 52.3 58.5 502 175 B L G <> S+ 0 0 28 -3,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.378 89.8 99.2-105.6 -2.2 -9.2 51.1 56.8 503 176 B Q H S+ 0 0 92 -4,-0.5 4,-2.4 2,-0.2 5,-0.2 0.988 115.2 42.9 -69.7 -45.4 -7.4 47.1 53.1 505 178 B K H > S+ 0 0 105 1,-0.3 4,-2.5 -4,-0.3 -2,-0.2 0.912 113.7 52.5 -62.1 -44.3 -10.9 46.3 54.6 506 179 B I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.3 0.847 107.9 50.8 -59.9 -41.1 -12.5 48.9 52.3 507 180 B D H X S+ 0 0 73 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.917 109.3 49.7 -71.4 -37.1 -10.9 47.3 49.2 508 181 B E H >X S+ 0 0 124 -4,-2.4 4,-1.8 1,-0.2 3,-0.8 0.957 113.7 47.5 -62.7 -49.3 -12.1 43.7 50.1 509 182 B L H 3X S+ 0 0 15 -4,-2.5 4,-2.0 1,-0.3 5,-0.3 0.919 106.9 55.5 -57.2 -45.4 -15.6 45.1 50.6 510 183 B N H 3X S+ 0 0 14 -4,-2.3 4,-0.7 1,-0.2 -1,-0.3 0.788 108.4 52.5 -58.8 -27.4 -15.5 47.0 47.4 511 184 B G H S+ 0 0 64 -4,-1.8 4,-2.4 1,-0.2 5,-0.6 0.848 114.8 56.2 -70.0 -28.2 -17.4 41.4 46.7 513 186 B I H X>S+ 0 0 3 -4,-2.0 5,-3.0 -5,-0.3 4,-0.8 0.841 111.6 45.2 -69.2 -30.6 -20.0 44.0 46.7 514 187 B Y H <>S+ 0 0 120 -4,-0.7 5,-1.2 -5,-0.3 6,-0.5 0.946 117.4 43.0 -73.0 -48.2 -19.2 44.7 43.1 515 188 B D H <>S+ 0 0 94 -4,-2.7 5,-0.5 1,-0.2 -2,-0.2 0.983 126.9 27.1 -58.1 -62.6 -19.1 41.1 42.1 516 189 B T H <5S+ 0 0 14 -4,-2.4 27,-0.2 3,-0.2 -3,-0.2 0.699 135.2 13.1 -84.3 -24.2 -22.1 39.8 43.9 517 190 B V T X> S+ 0 0 70 -3,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.889 110.9 52.6 -81.3 -41.5 -27.4 43.9 36.2 523 196 B K H >X S+ 0 0 92 -4,-2.2 3,-1.3 2,-0.2 4,-1.1 0.986 115.5 39.3 -51.9 -65.7 -26.4 40.3 35.5 524 197 B A H >< S+ 0 0 4 -4,-2.6 3,-1.1 1,-0.3 -2,-0.2 0.950 115.4 54.5 -50.6 -48.0 -29.9 39.0 36.8 525 198 B G H 3< S+ 0 0 12 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.774 117.8 32.9 -61.9 -22.3 -31.6 41.9 35.2 526 199 B F H << S+ 0 0 79 -4,-1.5 -1,-0.3 -3,-1.3 -2,-0.2 0.433 84.5 133.3-117.2 3.7 -30.1 41.2 31.7 527 200 B A << - 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