==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-FEB-08 2VNS . COMPND 2 MOLECULE: METALLOREDUCTASE STEAP3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.K.SENDAMARAI,R.S.OHGAMI,M.D.FLEMING,C.M.LAWRENCE . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16906.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 17.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.8 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 . 1 0.3 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 . 21 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 4 3 4 1 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 9 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 29 A P 0 0 101 0, 0.0 56,-0.1 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 137.0 25.9 -34.1 66.2 2 30 A K + 0 0 64 1,-0.2 55,-0.8 23,-0.1 56,-0.5 0.853 360.0 173.0 -77.2 145.4 28.8 -33.5 66.5 3 31 A V E -a 26 0A 4 22,-3.0 24,-2.4 53,-0.2 2,-0.3 -0.938 22.9-139.6-106.4 137.0 30.2 -33.1 63.1 4 32 A G E -ab 27 59A 2 54,-2.8 56,-3.2 -2,-0.4 2,-0.4 -0.697 16.5-172.8 -99.2 147.7 33.8 -31.9 62.8 5 33 A I E -ab 28 60A 2 22,-2.0 24,-3.0 -2,-0.3 2,-0.6 -0.985 10.1-155.6-135.3 126.0 35.4 -29.5 60.3 6 34 A L E +ab 29 61A 0 54,-3.2 56,-2.1 -2,-0.4 2,-0.2 -0.935 58.9 44.6-100.7 120.1 39.1 -28.8 60.1 7 35 A G - 0 0 7 22,-2.5 56,-0.1 -2,-0.6 22,-0.1 -0.537 62.7-126.9 121.6 171.8 39.9 -25.5 58.6 8 36 A S + 0 0 51 54,-0.2 55,-0.1 -2,-0.2 -1,-0.1 0.337 64.5 107.7-134.3 -6.3 39.0 -21.8 58.7 9 37 A G S > S- 0 0 38 53,-0.5 4,-2.2 1,-0.0 5,-0.2 0.074 84.5 -81.6 -88.0-171.3 38.3 -20.8 55.1 10 38 A D H > S+ 0 0 72 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.891 129.0 46.2 -58.2 -42.2 35.3 -19.9 52.9 11 39 A F H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.939 113.0 48.3 -67.3 -46.9 34.5 -23.6 52.3 12 40 A A H > S+ 0 0 0 50,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.881 114.2 48.2 -49.4 -43.9 34.8 -24.6 56.0 13 41 A R H X S+ 0 0 11 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.905 113.0 46.5 -81.0 -38.6 32.6 -21.6 56.9 14 42 A S H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.919 112.0 50.6 -67.8 -43.5 30.0 -22.5 54.3 15 43 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.920 110.2 50.9 -57.3 -47.4 29.9 -26.2 55.2 16 44 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 5,-0.2 0.901 110.4 49.5 -57.1 -43.3 29.5 -25.1 58.9 17 45 A T H X S+ 0 0 9 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 112.6 46.6 -65.4 -45.6 26.6 -22.9 57.9 18 46 A R H X S+ 0 0 21 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.936 114.2 47.4 -62.5 -45.5 24.9 -25.6 55.9 19 47 A L H <>S+ 0 0 0 -4,-2.9 5,-2.5 2,-0.2 3,-0.5 0.916 113.6 47.1 -62.0 -46.3 25.4 -28.2 58.7 20 48 A V H ><5S+ 0 0 1 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.908 111.5 51.6 -62.5 -44.1 24.1 -25.9 61.4 21 49 A G H 3<5S+ 0 0 48 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 107.8 54.7 -64.8 -18.8 21.1 -24.9 59.2 22 50 A S T 3<5S- 0 0 31 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.243 125.3 -98.0-100.8 10.2 20.4 -28.7 58.8 23 51 A G T < 5S+ 0 0 56 -3,-1.5 2,-0.2 1,-0.3 -3,-0.2 0.585 77.6 134.8 90.1 11.2 20.2 -29.4 62.5 24 52 A F < - 0 0 32 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.3 -0.633 56.8-124.4 -89.2 150.1 23.8 -30.7 63.1 25 53 A K - 0 0 132 -2,-0.2 -22,-3.0 19,-0.0 2,-0.4 -0.854 35.5-155.2 -86.4 128.2 26.0 -29.7 66.0 26 54 A V E -a 3 0A 2 -2,-0.5 19,-2.8 17,-0.5 2,-0.4 -0.922 18.8-173.0-117.4 132.4 29.2 -28.4 64.5 27 55 A V E -ac 4 45A 6 -24,-2.4 -22,-2.0 -2,-0.4 2,-0.4 -0.994 12.7-159.2-120.2 125.3 32.7 -28.2 65.9 28 56 A V E -ac 5 46A 0 17,-2.7 19,-3.2 -2,-0.4 2,-0.6 -0.908 5.9-150.5-108.2 131.4 35.4 -26.4 63.9 29 57 A G E +ac 6 47A 0 -24,-3.0 -22,-2.5 -2,-0.4 2,-0.3 -0.906 27.8 162.3-101.5 118.9 39.2 -26.9 64.4 30 58 A S E - c 0 48A 3 17,-2.6 19,-0.6 -2,-0.6 22,-0.1 -0.931 45.9-133.8-132.6 151.7 41.3 -23.8 63.5 31 59 A R S S+ 0 0 191 -2,-0.3 -1,-0.1 1,-0.3 17,-0.1 0.761 112.0 33.8 -72.5 -29.8 44.8 -22.7 64.3 32 60 A N S > S+ 0 0 85 1,-0.1 4,-2.6 15,-0.1 -1,-0.3 -0.685 71.5 165.1-125.1 73.5 43.5 -19.3 65.3 33 61 A P H > S+ 0 0 16 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.828 71.5 60.0 -64.5 -31.2 40.0 -20.0 66.8 34 62 A K H > S+ 0 0 191 2,-0.2 4,-0.9 1,-0.2 -2,-0.1 0.963 115.2 33.7 -59.8 -52.1 39.6 -16.5 68.3 35 63 A R H > S+ 0 0 189 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.899 120.3 50.5 -69.7 -43.5 39.9 -14.8 65.0 36 64 A T H >X S+ 0 0 20 -4,-2.6 3,-1.2 1,-0.2 4,-1.0 0.907 102.3 61.0 -64.5 -42.2 38.1 -17.6 63.0 37 65 A A H >< S+ 0 0 27 -4,-2.9 186,-0.8 1,-0.2 3,-0.6 0.854 91.4 68.5 -54.1 -38.7 35.2 -17.8 65.4 38 66 A R H 3< S+ 0 0 107 -4,-0.9 186,-2.5 -3,-0.3 187,-0.3 0.801 108.2 35.4 -54.0 -37.0 34.1 -14.1 64.7 39 67 A L H << S+ 0 0 54 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.606 100.4 92.0 -93.2 -18.2 33.1 -14.9 61.1 40 68 A F S << S- 0 0 1 -4,-1.0 183,-2.2 -3,-0.6 184,-0.2 -0.445 93.3 -82.4 -78.5 155.1 31.6 -18.4 61.6 41 69 A P B > -H 222 0B 2 0, 0.0 3,-1.5 0, 0.0 179,-0.2 -0.286 40.0-123.2 -54.2 139.3 28.0 -19.1 62.4 42 70 A S T 3 S+ 0 0 49 179,-1.9 177,-0.2 176,-0.9 178,-0.2 0.774 108.1 61.6 -56.3 -35.1 27.3 -18.6 66.1 43 71 A A T 3 S+ 0 0 33 176,-2.3 -17,-0.5 175,-0.2 2,-0.3 0.666 88.1 87.5 -71.4 -16.4 25.9 -22.1 66.5 44 72 A A S < S- 0 0 7 -3,-1.5 2,-0.8 175,-0.3 -17,-0.2 -0.660 76.8-135.9 -82.3 139.2 29.3 -23.7 65.5 45 73 A Q E -c 27 0A 116 -19,-2.8 -17,-2.7 -2,-0.3 2,-0.5 -0.865 21.4-163.1 -95.7 108.1 31.8 -24.2 68.2 46 74 A V E +c 28 0A 26 -2,-0.8 2,-0.2 -19,-0.2 -17,-0.2 -0.805 26.3 139.8 -98.7 129.5 35.1 -23.0 66.9 47 75 A T E -c 29 0A 38 -19,-3.2 -17,-2.6 -2,-0.5 -15,-0.1 -0.778 52.1 -48.1-152.0-172.6 38.2 -24.2 68.8 48 76 A F E > -c 30 0A 110 -2,-0.2 4,-2.5 -19,-0.2 5,-0.2 -0.376 53.9-114.2 -70.9 152.4 41.7 -25.5 68.6 49 77 A Q H > S+ 0 0 24 -19,-0.6 4,-1.7 1,-0.2 5,-0.2 0.921 114.3 50.9 -55.2 -48.3 42.4 -28.4 66.1 50 78 A E H 4 S+ 0 0 81 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.876 115.4 41.4 -61.1 -41.8 43.3 -30.9 68.7 51 79 A E H >> S+ 0 0 106 1,-0.2 3,-0.6 -3,-0.2 4,-0.5 0.810 110.7 58.7 -72.6 -33.1 40.1 -30.2 70.7 52 80 A A H 3< S+ 0 0 2 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.845 107.0 44.7 -68.0 -33.9 37.9 -30.0 67.6 53 81 A V T 3< S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.479 94.1 80.4 -93.6 -2.7 38.6 -33.5 66.3 54 82 A S T <4 S+ 0 0 48 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.1 0.859 97.4 34.7 -75.2 -39.4 38.3 -35.3 69.6 55 83 A S S < S+ 0 0 63 -4,-0.5 -2,-0.1 -3,-0.3 -1,-0.1 0.886 96.4 83.6 -86.7 -44.5 34.5 -35.6 69.8 56 84 A P - 0 0 1 0, 0.0 -53,-0.2 0, 0.0 -54,-0.1 -0.213 55.4-153.7 -69.4 154.4 33.1 -36.1 66.2 57 85 A E S S+ 0 0 128 -55,-0.8 25,-2.7 1,-0.2 2,-0.5 0.754 88.3 45.3 -84.5 -36.6 32.8 -39.4 64.3 58 86 A V E - d 0 82A 8 -56,-0.5 -54,-2.8 23,-0.2 2,-0.5 -0.967 70.0-171.0-116.5 128.0 32.9 -37.6 60.9 59 87 A I E -bd 4 83A 0 23,-2.9 25,-2.5 -2,-0.5 2,-0.5 -0.974 14.3-146.0-124.0 115.4 35.5 -34.9 60.2 60 88 A F E -bd 5 84A 0 -56,-3.2 -54,-3.2 -2,-0.5 2,-1.2 -0.707 10.9-147.2 -77.6 124.9 35.4 -32.7 57.1 61 89 A V E +bd 6 85A 2 23,-2.7 2,-0.8 -2,-0.5 25,-0.7 -0.722 25.4 171.1 -95.8 88.3 39.0 -31.8 56.0 62 90 A A + 0 0 16 -56,-2.1 -53,-0.5 -2,-1.2 -50,-0.3 -0.424 40.2 100.8-101.3 55.4 38.4 -28.4 54.5 63 91 A V S S- 0 0 30 -2,-0.8 23,-0.1 -56,-0.1 24,-0.1 -0.895 79.6 -89.4-129.7 161.4 42.1 -27.4 54.0 64 92 A F > - 0 0 151 -2,-0.3 3,-1.9 1,-0.1 4,-0.4 -0.313 37.9-110.0 -71.4 156.2 44.2 -27.4 50.9 65 93 A R G > S+ 0 0 26 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.880 116.9 63.1 -52.4 -42.2 46.2 -30.5 49.9 66 94 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 4,-0.1 0.677 105.2 48.3 -59.0 -19.2 49.5 -28.7 50.7 67 95 A H G < S+ 0 0 92 -3,-1.9 3,-0.4 1,-0.1 4,-0.4 0.423 82.3 94.2-103.1 -1.5 48.3 -28.5 54.3 68 96 A Y S X S+ 0 0 0 -3,-1.9 3,-1.7 -4,-0.4 -2,-0.1 0.906 84.8 50.7 -54.4 -48.2 47.2 -32.1 54.8 69 97 A S G > S+ 0 0 60 -4,-0.4 3,-2.0 1,-0.3 -1,-0.2 0.790 95.9 71.3 -66.6 -24.7 50.5 -33.3 56.3 70 98 A S G 3 S+ 0 0 68 -3,-0.4 3,-0.4 1,-0.3 -1,-0.3 0.663 92.8 59.6 -62.2 -16.4 50.3 -30.3 58.8 71 99 A L G X S+ 0 0 3 -3,-1.7 3,-2.1 -4,-0.4 -1,-0.3 0.385 73.3 102.3 -90.8 2.1 47.5 -32.3 60.4 72 100 A C G X + 0 0 47 -3,-2.0 3,-2.0 1,-0.3 4,-0.2 0.804 69.0 65.3 -60.8 -31.8 49.7 -35.3 61.2 73 101 A S G 3 S+ 0 0 99 -3,-0.4 -1,-0.3 1,-0.3 3,-0.3 0.616 94.4 62.5 -67.2 -11.3 50.1 -34.4 64.9 74 102 A L G X> S+ 0 0 3 -3,-2.1 4,-2.3 1,-0.2 3,-0.7 0.416 72.6 108.0 -87.3 -0.2 46.3 -35.0 65.2 75 103 A S H <> S+ 0 0 50 -3,-2.0 4,-0.9 1,-0.3 -1,-0.2 0.824 73.6 50.6 -48.9 -48.3 46.8 -38.7 64.2 76 104 A D H 34 S+ 0 0 88 -3,-0.3 3,-0.4 1,-0.2 -1,-0.3 0.875 114.4 44.0 -60.6 -41.2 46.1 -40.2 67.7 77 105 A Q H <4 S+ 0 0 92 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 113.6 51.4 -72.3 -37.0 42.9 -38.3 68.2 78 106 A L H >< S+ 0 0 2 -4,-2.3 3,-2.3 2,-0.1 -1,-0.2 0.565 78.0 132.1 -76.7 -9.6 41.7 -39.0 64.6 79 107 A A T 3< S+ 0 0 53 -4,-0.9 33,-0.2 -3,-0.4 3,-0.1 -0.149 79.1 4.6 -54.9 132.3 42.2 -42.8 64.8 80 108 A G T 3 S+ 0 0 61 31,-1.6 -1,-0.3 1,-0.2 32,-0.2 0.468 102.2 126.1 73.8 4.3 39.2 -44.8 63.6 81 109 A K < - 0 0 27 -3,-2.3 32,-2.0 1,-0.0 2,-0.5 -0.423 64.9-108.9 -91.6 166.2 37.3 -41.7 62.5 82 110 A I E -de 58 113A 22 -25,-2.7 -23,-2.9 30,-0.2 2,-0.5 -0.866 30.4-161.4 -96.3 126.8 35.8 -40.9 59.0 83 111 A L E -de 59 114A 2 30,-2.1 32,-2.8 -2,-0.5 2,-0.6 -0.931 5.1-150.7-108.5 129.8 37.6 -38.2 57.1 84 112 A V E -de 60 115A 0 -25,-2.5 -23,-2.7 -2,-0.5 2,-0.7 -0.904 3.0-155.0-104.3 117.2 35.8 -36.4 54.3 85 113 A D E +de 61 116A 0 30,-2.4 32,-2.0 -2,-0.6 34,-0.3 -0.841 21.3 167.7 -89.6 111.8 38.1 -35.1 51.5 86 114 A V + 0 0 11 -2,-0.7 -1,-0.1 -25,-0.7 35,-0.1 0.274 24.4 141.1-104.2 4.3 36.2 -32.2 49.9 87 115 A S - 0 0 16 -26,-0.2 32,-0.1 -24,-0.1 15,-0.1 -0.176 38.0-160.7 -63.4 141.6 39.1 -30.8 47.8 88 116 A N - 0 0 71 30,-0.1 -1,-0.1 13,-0.0 87,-0.1 -0.859 21.1-156.1-119.1 87.0 38.5 -29.5 44.3 89 117 A P - 0 0 12 0, 0.0 2,-0.0 0, 0.0 -25,-0.0 -0.281 18.2-109.6 -66.2 151.6 42.0 -29.6 42.7 90 118 A T > - 0 0 77 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.309 36.4-103.4 -65.5 162.7 42.9 -27.4 39.8 91 119 A E H > S+ 0 0 167 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.881 124.2 51.1 -56.4 -39.8 43.4 -29.1 36.4 92 120 A Q H > S+ 0 0 128 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.922 110.4 46.6 -65.7 -48.2 47.2 -28.8 36.9 93 121 A E H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.935 110.6 54.1 -57.6 -47.9 47.1 -30.3 40.4 94 122 A H H < S+ 0 0 19 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 114.7 40.0 -52.1 -49.1 44.9 -33.1 39.3 95 123 A L H < S+ 0 0 123 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.734 111.8 57.2 -75.2 -26.0 47.4 -34.0 36.5 96 124 A Q H < S+ 0 0 111 -4,-1.7 2,-0.5 -3,-0.2 -1,-0.2 0.844 98.2 64.4 -77.2 -37.0 50.5 -33.5 38.5 97 125 A H < - 0 0 64 -4,-1.9 -1,-0.1 1,-0.2 4,-0.1 -0.810 68.2-152.5 -97.5 125.0 49.7 -35.9 41.3 98 126 A R S S+ 0 0 235 -2,-0.5 2,-0.2 2,-0.1 -1,-0.2 0.937 82.5 49.3 -56.2 -51.1 49.4 -39.6 40.5 99 127 A E S S- 0 0 63 1,-0.1 -2,-0.1 2,-0.0 2,-0.0 -0.546 95.0-102.9 -91.7 156.3 47.0 -40.3 43.3 100 128 A S > - 0 0 0 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.352 31.9-112.9 -65.9 154.1 43.8 -38.4 44.1 101 129 A N H > S+ 0 0 6 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.896 120.1 56.8 -51.9 -41.1 43.9 -36.0 47.1 102 130 A A H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 108.2 44.9 -61.4 -43.1 41.5 -38.4 48.8 103 131 A E H > S+ 0 0 62 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.853 111.6 53.2 -69.5 -35.7 44.0 -41.3 48.4 104 132 A Y H X S+ 0 0 50 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.957 110.3 47.7 -59.6 -50.4 46.9 -39.1 49.5 105 133 A L H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.899 109.2 53.5 -58.0 -41.3 44.8 -38.2 52.7 106 134 A A H < S+ 0 0 29 -4,-2.1 -1,-0.2 1,-0.2 6,-0.2 0.888 107.2 52.6 -62.6 -36.5 44.1 -41.9 53.2 107 135 A S H < S+ 0 0 80 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.850 108.1 50.0 -67.3 -36.1 47.8 -42.6 53.1 108 136 A L H < S+ 0 0 43 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.792 121.0 34.3 -71.6 -31.0 48.6 -40.0 55.7 109 137 A F >< + 0 0 4 -4,-1.6 3,-2.0 -5,-0.2 -1,-0.3 -0.610 67.1 166.0-127.4 70.1 45.9 -41.4 58.1 110 138 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.712 76.6 58.0 -64.3 -23.2 45.8 -45.2 57.6 111 139 A T T 3 S+ 0 0 87 2,-0.1 -31,-1.6 -36,-0.0 2,-0.2 0.499 101.1 72.7 -83.7 -7.5 43.8 -45.8 60.8 112 140 A C S < S- 0 0 15 -3,-2.0 2,-0.5 -6,-0.2 -30,-0.2 -0.611 79.7-129.5 -94.9 167.1 41.1 -43.5 59.4 113 141 A T E -e 82 0A 26 -32,-2.0 -30,-2.1 -2,-0.2 2,-0.4 -0.982 23.7-144.4-119.6 124.9 38.6 -44.2 56.6 114 142 A V E -e 83 0A 5 -2,-0.5 28,-0.6 -32,-0.2 2,-0.4 -0.704 13.3-170.1 -95.7 137.5 38.4 -41.6 53.8 115 143 A V E -eF 84 141A 0 -32,-2.8 -30,-2.4 -2,-0.4 2,-0.6 -0.995 16.1-142.6-120.5 128.5 35.3 -40.6 51.9 116 144 A K E +eF 85 140A 0 24,-2.5 24,-1.6 -2,-0.4 2,-0.3 -0.827 43.1 138.1 -85.7 124.4 35.5 -38.3 48.9 117 145 A A E + F 0 139A 0 -32,-2.0 22,-0.1 -2,-0.6 -2,-0.1 -0.936 42.8 25.3-166.1 149.8 32.5 -35.9 48.8 118 146 A F > + 0 0 0 20,-0.5 3,-1.7 -2,-0.3 -32,-0.1 0.249 69.2 122.7 85.4 -3.2 31.4 -32.4 48.1 119 147 A N T 3 S+ 0 0 3 -34,-0.3 -33,-0.1 1,-0.3 18,-0.0 0.756 75.3 51.3 -57.8 -27.8 34.1 -31.3 45.7 120 148 A V T 3 S+ 0 0 9 18,-0.2 59,-2.5 58,-0.1 2,-0.5 0.494 92.7 91.6 -87.2 -4.9 31.6 -30.5 43.0 121 149 A I B < S-i 179 0C 5 -3,-1.7 59,-0.1 57,-0.2 2,-0.1 -0.801 73.5-133.5 -98.7 123.8 29.5 -28.2 45.3 122 150 A S > - 0 0 11 57,-1.0 4,-1.8 -2,-0.5 5,-0.1 -0.380 20.1-116.3 -72.7 156.6 30.4 -24.5 45.5 123 151 A A H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 117.8 52.0 -58.7 -38.8 30.7 -22.6 48.8 124 152 A W H >>S+ 0 0 69 2,-0.2 4,-3.6 1,-0.2 5,-0.9 0.867 104.5 55.6 -68.9 -34.3 27.7 -20.5 47.8 125 153 A T H 45S+ 0 0 22 3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.886 108.8 48.8 -63.4 -38.6 25.6 -23.5 47.1 126 154 A L H <5S+ 0 0 0 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.914 118.2 40.7 -62.4 -42.5 26.4 -24.7 50.6 127 155 A Q H <5S+ 0 0 11 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.916 137.9 5.3 -70.5 -49.8 25.4 -21.3 52.0 128 156 A A T <5S+ 0 0 24 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.1 0.885 115.4 25.6-103.4 -55.4 22.4 -20.5 49.9 129 157 A G < + 0 0 13 -5,-0.9 2,-0.5 1,-0.2 -3,-0.1 0.795 46.8 104.7 -71.9-131.5 21.4 -23.4 47.7 130 158 A P S S- 0 0 22 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 -0.606 83.1-132.8 -62.1 -39.1 21.1 -26.3 46.7 131 159 A R - 0 0 195 -2,-0.5 3,-0.1 2,-0.3 28,-0.1 -0.467 35.5 -82.7-151.8 -11.4 18.1 -25.3 47.9 132 160 A D S S+ 0 0 125 1,-0.6 26,-0.1 26,-0.5 2,-0.1 -0.095 114.6 98.1 99.0 -11.5 16.9 -28.0 50.0 133 161 A G S S- 0 0 41 1,-0.2 -1,-0.6 27,-0.0 -2,-0.3 -0.209 89.6 -65.5 -87.0-165.4 15.8 -29.4 46.6 134 162 A N + 0 0 90 -4,-0.1 -1,-0.2 -2,-0.1 2,-0.2 -0.546 52.6 158.9 -73.6 153.4 18.1 -31.9 44.9 135 163 A R - 0 0 139 -2,-0.2 25,-2.4 -3,-0.1 2,-0.2 -0.705 40.7-106.4-161.8 165.7 21.5 -31.7 43.6 136 164 A Q E - g 0 160A 136 23,-0.2 -16,-0.0 -2,-0.2 23,-0.0 -0.392 26.4-173.6 -92.7 130.5 23.9 -34.4 43.1 137 165 A V E - g 0 161A 0 23,-2.0 25,-2.5 -2,-0.2 2,-0.1 -0.904 20.2-140.2-106.1 112.6 27.0 -35.1 45.2 138 166 A P E - g 0 162A 9 0, 0.0 -20,-0.5 0, 0.0 2,-0.4 -0.368 25.9-173.5 -54.8 130.0 29.3 -37.8 44.0 139 167 A I E +Fg 117 163A 2 23,-2.7 25,-3.8 -22,-0.1 26,-0.5 -0.995 9.9 160.7-129.7 132.6 30.6 -39.9 46.8 140 168 A C E +F 116 0A 0 -24,-1.6 -24,-2.5 -2,-0.4 2,-0.2 -0.970 7.3 123.4-139.8 178.6 33.1 -42.6 47.0 141 169 A G E -F 115 0A 1 24,-2.1 -26,-0.2 -2,-0.3 27,-0.1 -0.881 58.8 -91.8 148.9 177.8 35.4 -44.6 49.3 142 170 A D S S+ 0 0 115 -28,-0.6 24,-0.1 -2,-0.2 -27,-0.1 0.685 96.6 70.8 -97.1 -21.3 36.3 -48.1 50.4 143 171 A Q > - 0 0 70 -29,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.876 60.6-155.9-109.7 116.2 34.0 -48.5 53.5 144 172 A P H > S+ 0 0 92 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.847 95.3 51.4 -54.3 -41.9 30.2 -48.9 53.1 145 173 A E H > S+ 0 0 129 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.892 110.7 48.5 -65.3 -42.2 29.4 -47.6 56.7 146 174 A A H > S+ 0 0 0 -3,-0.3 4,-2.0 2,-0.2 5,-0.2 0.932 111.8 48.9 -60.3 -49.3 31.5 -44.5 56.2 147 175 A K H X S+ 0 0 27 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.870 110.5 51.5 -60.5 -39.0 29.9 -43.8 52.8 148 176 A R H X S+ 0 0 171 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.920 108.0 51.9 -63.3 -46.1 26.4 -44.2 54.3 149 177 A A H X S+ 0 0 27 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.913 114.1 42.6 -56.3 -43.8 27.2 -41.8 57.2 150 178 A V H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.871 112.9 53.8 -74.5 -34.1 28.3 -39.1 54.7 151 179 A S H X S+ 0 0 24 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 107.8 49.0 -64.4 -45.7 25.4 -39.8 52.4 152 180 A E H X S+ 0 0 114 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.868 111.8 51.2 -59.8 -36.3 22.8 -39.4 55.2 153 181 A M H X S+ 0 0 18 -4,-1.3 4,-1.8 -5,-0.3 -2,-0.2 0.952 108.6 49.9 -69.7 -44.9 24.5 -36.2 56.0 154 182 A A H <>S+ 0 0 0 -4,-2.7 5,-2.9 1,-0.2 4,-0.2 0.905 112.0 49.1 -54.7 -46.4 24.3 -35.1 52.3 155 183 A L H ><5S+ 0 0 92 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.926 108.3 52.0 -61.3 -47.1 20.6 -35.9 52.4 156 184 A A H 3<5S+ 0 0 48 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.825 107.7 54.4 -59.4 -31.7 20.0 -34.0 55.6 157 185 A M T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.486 125.4-103.5 -81.1 -3.8 21.7 -31.0 54.0 158 186 A G T < 5S+ 0 0 8 -3,-1.8 -26,-0.5 1,-0.3 -3,-0.2 0.610 81.5 122.7 91.4 14.2 19.3 -31.2 51.0 159 187 A F < - 0 0 4 -5,-2.9 -1,-0.3 -25,-0.2 -23,-0.2 -0.448 60.3-125.4 -99.0 175.9 21.7 -32.8 48.5 160 188 A M E -g 136 0A 91 -25,-2.4 -23,-2.0 -2,-0.1 -9,-0.0 -0.893 24.1-143.3-126.5 98.9 21.4 -36.1 46.5 161 189 A P E -g 137 0A 27 0, 0.0 2,-0.4 0, 0.0 -25,-0.1 -0.307 11.0-162.3 -68.2 145.0 24.3 -38.4 47.1 162 190 A V E -g 138 0A 41 -25,-2.5 -23,-2.7 -22,-0.0 2,-0.4 -0.981 17.9-131.6-131.6 113.6 25.5 -40.4 44.1 163 191 A D E +g 139 0A 105 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.545 25.7 176.4 -74.3 120.8 27.6 -43.5 44.8 164 192 A M - 0 0 66 -25,-3.8 2,-0.3 -2,-0.4 -24,-0.2 0.236 43.7-121.8-106.4 9.2 30.7 -43.6 42.6 165 193 A G + 0 0 25 -26,-0.5 -24,-2.1 3,-0.1 -1,-0.3 -0.664 59.4 6.0 97.7-141.9 32.2 -46.7 44.2 166 194 A S S > S- 0 0 56 -2,-0.3 3,-1.9 -26,-0.2 -24,-0.2 -0.152 78.6 -95.0 -81.0 175.7 35.5 -47.3 46.0 167 195 A L G > S+ 0 0 7 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.741 118.2 73.8 -65.3 -19.6 38.2 -44.7 46.8 168 196 A A G > S+ 0 0 59 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.716 88.8 61.9 -66.0 -17.7 40.0 -45.6 43.6 169 197 A S G <> S+ 0 0 32 -3,-1.9 4,-2.3 1,-0.2 -1,-0.3 0.512 79.1 90.8 -77.3 -6.9 37.2 -43.7 41.8 170 198 A A H <> S+ 0 0 0 -3,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.808 78.3 58.1 -63.3 -32.8 38.3 -40.5 43.7 171 199 A W H <> S+ 0 0 92 -3,-0.5 4,-0.9 -4,-0.3 -1,-0.2 0.954 110.7 42.3 -63.7 -46.5 40.7 -39.4 40.9 172 200 A E H >> S+ 0 0 127 -4,-0.3 3,-0.9 2,-0.2 4,-0.6 0.922 114.2 51.6 -63.8 -44.9 37.9 -39.4 38.3 173 201 A V H >< S+ 0 0 2 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.901 105.2 57.0 -58.3 -40.1 35.5 -37.7 40.8 174 202 A E H 3< S+ 0 0 4 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.725 101.2 57.5 -64.7 -23.9 38.2 -35.1 41.5 175 203 A A H << S+ 0 0 57 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.652 81.4 111.7 -76.4 -18.0 38.2 -34.3 37.7 176 204 A M S << S- 0 0 60 -3,-1.2 -3,-0.0 -4,-0.6 -4,-0.0 -0.326 76.9-108.1 -62.9 132.0 34.5 -33.4 37.8 177 205 A P - 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0 0 65 -25,-3.8 2,-0.3 -2,-0.4 -24,-0.2 0.209 41.8-122.8-106.0 10.9 25.7 8.4 40.8 346 193 B G + 0 0 26 -26,-0.5 -24,-2.3 3,-0.1 -1,-0.3 -0.624 60.0 9.1 95.2-143.3 24.2 11.6 42.2 347 194 B S S > S- 0 0 53 -2,-0.3 3,-2.1 -26,-0.2 4,-0.2 -0.131 77.7 -97.6 -78.2 173.1 20.9 12.3 43.8 348 195 B L G > S+ 0 0 6 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.740 117.9 73.7 -65.7 -18.1 18.3 9.8 45.0 349 196 B A G > S+ 0 0 56 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.759 88.4 61.0 -63.3 -25.3 16.5 10.4 41.7 350 197 B S G <> S+ 0 0 28 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.511 79.1 91.1 -74.9 -6.0 19.2 8.4 40.0 351 198 B A H <> S+ 0 0 0 -3,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.814 78.6 58.9 -62.2 -32.3 18.2 5.3 42.1 352 199 B W H <> S+ 0 0 90 -3,-0.7 4,-0.8 -4,-0.3 -1,-0.2 0.968 110.4 41.4 -63.3 -48.6 15.7 4.1 39.5 353 200 B E H >> S+ 0 0 100 -4,-0.3 3,-1.0 1,-0.2 4,-0.6 0.922 114.4 52.5 -61.4 -46.1 18.5 3.9 36.9 354 201 B V H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.899 104.7 56.5 -57.1 -40.6 20.9 2.4 39.4 355 202 B E H 3< S+ 0 0 4 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.718 102.3 56.7 -64.7 -22.1 18.2 -0.2 40.3 356 203 B A H << S+ 0 0 58 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.608 81.6 111.1 -79.6 -16.5 18.2 -1.2 36.5 357 204 B M S << S- 0 0 55 -3,-1.3 -3,-0.0 -4,-0.6 2,-0.0 -0.386 78.5-104.8 -64.5 136.0 21.9 -2.0 36.6 358 205 B P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.295 30.2-110.0 -66.6 144.8 22.7 -5.7 36.3 359 206 B L - 0 0 78 -57,-0.1 2,-0.5 -90,-0.0 -57,-0.2 -0.514 44.6 -98.9 -69.6 139.2 23.7 -7.8 39.3 360 207 B R B q 302 0E 140 -59,-2.4 -57,-1.1 -2,-0.2 -54,-0.2 -0.912 360.0 360.0-108.8 120.1 27.4 -8.9 39.1 361 208 B L 0 0 129 -2,-0.5 -1,-0.1 -59,-0.1 -2,-0.0 0.686 360.0 360.0-150.8 360.0 27.6 -11.7 38.1