==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 24-NOV-09 3KT7 . COMPND 2 MOLECULE: PKHD-TYPE HYDROXYLASE TPA1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR H.S.KIM,H.L.KIM,K.H.KIM,D.J.KIM,S.J.LEE,J.Y.YOON,H.J.YOON, . 558 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 22.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 34 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 0 0 0 1 1 2 3 1 0 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 6 5 4 0 2 2 2 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 . 3 0 1 0 0 0 1 0 0 1 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 24 A D > 0 0 118 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 105.5 -70.4 -7.6 -43.9 2 25 A K T 4 + 0 0 154 2,-0.2 4,-0.2 1,-0.2 0, 0.0 0.739 360.0 48.4 -68.0 -26.0 -67.4 -8.6 -46.0 3 26 A I T >4 S+ 0 0 31 2,-0.2 3,-1.7 1,-0.1 4,-0.2 0.949 111.8 46.0 -77.1 -54.4 -65.4 -9.4 -42.8 4 27 A K G >4 S+ 0 0 85 1,-0.3 3,-1.6 2,-0.2 -2,-0.2 0.867 108.4 59.0 -55.8 -39.4 -68.0 -11.5 -41.0 5 28 A G G 3< S+ 0 0 46 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.573 93.8 65.1 -69.7 -12.5 -68.7 -13.4 -44.3 6 29 A M G < S+ 0 0 52 -3,-1.7 34,-2.9 -4,-0.2 2,-0.3 0.385 98.4 66.6 -91.1 1.3 -65.1 -14.6 -44.5 7 30 A F B < S-A 39 0A 7 -3,-1.6 32,-0.3 32,-0.3 31,-0.1 -0.809 104.5 -81.4-113.3 161.0 -65.6 -16.7 -41.3 8 31 A N > - 0 0 33 30,-2.9 3,-1.7 -2,-0.3 4,-0.3 -0.418 42.4-130.8 -52.2 125.3 -67.7 -19.7 -40.5 9 32 A P G > S+ 0 0 103 0, 0.0 3,-1.4 0, 0.0 4,-0.3 0.757 100.2 74.0 -60.1 -21.9 -71.1 -18.2 -39.8 10 33 A K G > S+ 0 0 63 1,-0.2 3,-1.5 2,-0.2 6,-0.2 0.802 82.9 66.7 -58.8 -30.7 -71.3 -20.2 -36.5 11 34 A I G < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.3 -3,-0.0 0.724 97.4 53.4 -70.6 -16.7 -68.8 -17.9 -34.8 12 35 A W G < S+ 0 0 54 -3,-1.4 2,-0.4 -4,-0.3 -1,-0.3 0.471 85.8 104.5 -91.9 -3.1 -71.3 -15.0 -34.9 13 36 A D <> - 0 0 85 -3,-1.5 4,-2.5 -4,-0.3 5,-0.2 -0.666 66.9-145.0 -83.9 126.2 -74.0 -17.0 -33.2 14 37 A K H > S+ 0 0 111 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.889 99.6 52.1 -59.8 -42.4 -74.5 -16.1 -29.5 15 38 A T H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.5 47.4 -60.7 -43.5 -75.3 -19.7 -28.5 16 39 A F H > S+ 0 0 52 -6,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.923 111.6 51.1 -60.2 -47.6 -72.1 -20.9 -30.1 17 40 A Q H X S+ 0 0 32 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.909 111.1 46.5 -59.1 -45.6 -70.1 -18.2 -28.5 18 41 A D H X S+ 0 0 63 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.881 111.6 52.3 -66.4 -36.9 -71.4 -19.0 -25.0 19 42 A G H X S+ 0 0 37 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.895 111.5 46.5 -64.1 -42.5 -70.8 -22.7 -25.6 20 43 A L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 108.4 54.6 -67.3 -43.0 -67.2 -22.0 -26.6 21 44 A K H X S+ 0 0 54 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.911 110.5 47.9 -55.7 -41.7 -66.6 -19.6 -23.6 22 45 A K H X S+ 0 0 121 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 108.4 53.3 -66.7 -42.6 -67.7 -22.5 -21.4 23 46 A E H < S+ 0 0 114 -4,-2.0 4,-0.5 1,-0.2 9,-0.2 0.921 111.4 46.9 -55.3 -46.5 -65.4 -25.0 -23.1 24 47 A I H >< S+ 0 0 7 -4,-2.5 3,-0.9 1,-0.2 8,-0.4 0.910 111.1 50.8 -65.5 -43.9 -62.5 -22.7 -22.5 25 48 A E H 3< S+ 0 0 76 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.852 114.9 44.0 -58.2 -37.3 -63.4 -22.1 -18.9 26 49 A D T 3< S+ 0 0 105 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.411 93.1 111.7 -91.2 -1.4 -63.7 -25.9 -18.3 27 50 A S < - 0 0 29 -3,-0.9 4,-0.1 -4,-0.5 -3,-0.1 -0.214 58.1-100.7 -76.4 164.2 -60.5 -26.9 -20.2 28 51 A Q S S+ 0 0 96 1,-0.1 140,-0.1 3,-0.1 -2,-0.0 -0.959 80.2 7.5-138.6 157.9 -57.2 -28.2 -18.7 29 52 A P S S- 0 0 36 0, 0.0 2,-0.3 0, 0.0 142,-0.2 -0.999 133.5 -16.0 -84.3 -12.6 -54.4 -27.9 -17.8 30 53 A Y S S- 0 0 17 140,-0.1 2,-0.1 173,-0.0 -2,-0.0 -0.928 97.8 -66.2-142.0 164.1 -54.9 -24.2 -18.3 31 54 A N + 0 0 80 -2,-0.3 165,-0.5 -6,-0.1 2,-0.3 -0.297 68.9 148.2 -62.7 122.3 -57.6 -22.4 -20.2 32 55 A W - 0 0 47 -8,-0.4 2,-0.3 -9,-0.2 163,-0.2 -0.970 23.5-160.1-147.6 161.7 -57.4 -23.0 -23.9 33 56 A G E -B 194 0B 2 161,-2.6 161,-2.3 -2,-0.3 2,-0.3 -0.922 5.9-161.1-140.7 164.1 -59.7 -23.3 -26.9 34 57 A T E -B 193 0B 24 -2,-0.3 2,-0.4 159,-0.2 159,-0.2 -0.993 2.6-163.5-144.5 144.3 -60.1 -24.6 -30.5 35 58 A I E -B 192 0B 4 157,-1.9 157,-2.4 -2,-0.3 3,-0.4 -1.000 14.3-145.9-125.9 130.8 -62.4 -23.8 -33.4 36 59 A H S S+ 0 0 99 -2,-0.4 155,-0.2 155,-0.2 154,-0.1 -0.648 79.3 9.6 -90.0 150.1 -62.8 -26.2 -36.4 37 60 A E S S+ 0 0 133 152,-0.4 -1,-0.2 -2,-0.3 154,-0.2 0.891 79.6 164.9 50.6 50.2 -63.4 -24.9 -39.9 38 61 A L + 0 0 0 152,-2.6 -30,-2.9 -3,-0.4 2,-0.2 0.903 48.2 42.1 -65.9 -48.8 -62.7 -21.3 -38.8 39 62 A V B S-A 7 0A 4 -32,-0.3 -32,-0.3 151,-0.2 -33,-0.1 -0.583 101.8 -75.8-104.9 158.2 -62.2 -19.4 -42.1 40 63 A N > - 0 0 52 -34,-2.9 4,-2.3 -2,-0.2 5,-0.2 -0.337 46.2-134.8 -46.9 125.4 -64.0 -19.4 -45.5 41 64 A D H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 101.2 50.5 -61.6 -42.7 -62.6 -22.6 -47.0 42 65 A D H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 111.0 50.2 -60.5 -42.6 -61.9 -21.0 -50.5 43 66 A L H > S+ 0 0 10 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.948 111.9 45.6 -61.7 -50.3 -59.9 -18.2 -48.8 44 67 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.873 111.5 52.4 -67.3 -35.1 -57.8 -20.4 -46.6 45 68 A R H X S+ 0 0 77 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.891 110.2 49.6 -61.4 -39.6 -57.1 -22.8 -49.6 46 69 A A H X S+ 0 0 29 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.854 108.8 52.4 -68.4 -36.7 -55.9 -19.7 -51.6 47 70 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.933 108.1 51.0 -63.2 -46.1 -53.7 -18.6 -48.7 48 71 A R H X S+ 0 0 35 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 110.8 49.1 -57.8 -44.3 -52.1 -22.0 -48.6 49 72 A K H X S+ 0 0 120 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.890 109.8 50.7 -63.9 -40.7 -51.4 -21.8 -52.4 50 73 A E H X S+ 0 0 23 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.914 110.2 50.5 -60.8 -44.1 -49.9 -18.3 -52.1 51 74 A I H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.933 110.8 48.8 -60.6 -45.7 -47.6 -19.6 -49.3 52 75 A E H < S+ 0 0 104 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.864 120.2 36.7 -62.1 -37.4 -46.5 -22.5 -51.4 53 76 A T H < S+ 0 0 104 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.814 127.2 31.0 -84.9 -33.1 -45.8 -20.4 -54.5 54 77 A E H < S+ 0 0 49 -4,-2.8 2,-0.5 -5,-0.2 -3,-0.2 0.599 104.1 68.7-110.7 -16.2 -44.4 -17.2 -52.9 55 78 A I < - 0 0 12 -4,-2.0 2,-0.5 -5,-0.3 23,-0.2 -0.930 55.6-160.3-114.8 130.6 -42.6 -18.1 -49.7 56 79 A H - 0 0 134 21,-2.7 2,-0.3 -2,-0.5 23,-0.2 -0.945 17.4-147.0-105.6 125.4 -39.3 -20.0 -49.4 57 80 A F - 0 0 41 -2,-0.5 2,-0.4 14,-0.0 13,-0.2 -0.647 6.2-155.5 -95.1 148.2 -38.7 -21.6 -45.9 58 81 A T E -C 69 0B 86 11,-2.4 11,-2.8 -2,-0.3 2,-0.1 -0.989 20.8-119.7-125.8 126.1 -35.3 -22.0 -44.3 59 82 A K E -C 68 0B 101 -2,-0.4 2,-0.4 9,-0.3 9,-0.2 -0.402 31.8-174.9 -60.2 129.5 -34.5 -24.6 -41.6 60 83 A K E -C 67 0B 92 7,-1.8 7,-2.1 -2,-0.1 2,-0.4 -0.994 2.6-170.6-129.1 128.5 -33.3 -23.0 -38.4 61 84 A E E +C 66 0B 54 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.967 13.9 156.4-121.3 134.8 -32.1 -25.1 -35.4 62 85 A T - 0 0 34 3,-2.8 -2,-0.0 -2,-0.4 0, 0.0 -0.720 60.5 -85.6-131.5-175.1 -31.3 -23.9 -31.9 63 86 A D S S+ 0 0 31 -2,-0.2 477,-0.5 1,-0.2 399,-0.1 0.896 128.8 41.4 -60.1 -37.3 -31.2 -25.7 -28.6 64 87 A I S S+ 0 0 59 1,-0.1 70,-2.7 475,-0.1 2,-0.3 0.719 122.1 4.2 -86.7 -25.4 -35.0 -25.1 -28.1 65 88 A Y E - D 0 133B 46 68,-0.2 -3,-2.8 2,-0.1 2,-0.3 -0.953 38.4-149.0-150.7 166.0 -36.2 -25.9 -31.7 66 89 A R E +CD 61 132B 16 66,-2.2 66,-1.7 -2,-0.3 2,-0.3 -0.884 40.7 152.6-137.9 118.3 -35.9 -26.9 -35.3 67 90 A V E -C 60 0B 5 -7,-2.1 -7,-1.8 -2,-0.3 2,-0.8 -0.997 48.5-120.7-145.8 139.0 -38.4 -25.1 -37.5 68 91 A N E -CE 59 126B 19 58,-2.5 58,-2.4 -2,-0.3 -9,-0.3 -0.764 47.9-168.4 -84.3 110.7 -38.5 -24.1 -41.2 69 92 A Q E -C 58 0B 58 -11,-2.8 -11,-2.4 -2,-0.8 56,-0.1 -0.542 35.9-171.0-106.7 164.8 -38.9 -20.3 -40.9 70 93 A S + 0 0 4 54,-0.4 9,-0.3 -13,-0.2 7,-0.2 0.201 62.3 99.1-134.3 12.7 -39.8 -17.4 -43.1 71 94 A G + 0 0 68 53,-0.1 -14,-0.0 6,-0.1 54,-0.0 0.018 42.7 151.3 -97.1 29.0 -39.1 -14.4 -40.8 72 95 A D > - 0 0 58 1,-0.1 3,-2.1 2,-0.1 5,-0.2 -0.342 52.7-122.9 -62.9 139.8 -35.6 -13.4 -42.0 73 96 A L T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.825 110.3 51.2 -52.5 -40.8 -34.9 -9.7 -41.5 74 97 A A T 3 S- 0 0 70 1,-0.1 -1,-0.3 6,-0.0 -2,-0.1 0.460 106.5-126.0 -79.3 -1.9 -34.1 -9.0 -45.2 75 98 A N X + 0 0 59 -3,-2.1 3,-1.6 1,-0.1 -2,-0.1 0.773 59.4 147.8 59.5 31.1 -37.4 -10.7 -46.3 76 99 A L T 3 + 0 0 149 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.668 62.5 70.3 -67.8 -17.1 -35.4 -13.0 -48.6 77 100 A S T 3 S- 0 0 8 -7,-0.2 -21,-2.7 2,-0.2 -1,-0.3 0.677 116.4-112.2 -68.5 -20.8 -38.1 -15.7 -47.9 78 101 A G S < S+ 0 0 38 -3,-1.6 2,-0.7 1,-0.2 8,-0.2 0.269 84.3 117.5 100.0 -10.0 -40.6 -13.6 -49.9 79 102 A L + 0 0 3 -9,-0.3 2,-0.4 -23,-0.2 -1,-0.2 -0.841 29.9 162.2 -96.0 114.6 -42.6 -12.8 -46.8 80 103 A D > - 0 0 44 -2,-0.7 3,-1.8 3,-0.3 5,-0.1 -0.954 25.2-161.1-131.6 109.3 -42.7 -9.1 -46.0 81 104 A W T 3 S+ 0 0 61 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.683 94.4 55.7 -67.5 -15.9 -45.5 -8.1 -43.6 82 105 A D T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.539 118.4 32.1 -87.5 -10.9 -45.1 -4.5 -44.8 83 106 A D < + 0 0 90 -3,-1.8 -3,-0.3 1,-0.0 3,-0.3 -0.653 56.7 165.0-150.8 88.2 -45.7 -5.5 -48.5 84 107 A L > + 0 0 11 -3,-0.3 3,-1.7 1,-0.2 7,-0.3 -0.065 30.5 135.3 -94.9 34.2 -48.0 -8.4 -49.2 85 108 A S T 3 S+ 0 0 94 1,-0.3 -1,-0.2 2,-0.1 6,-0.0 0.848 77.1 40.4 -48.6 -42.8 -48.2 -7.6 -52.9 86 109 A R T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.484 116.9 51.8 -90.0 -1.9 -47.7 -11.2 -54.0 87 110 A L <> + 0 0 2 -3,-1.7 4,-2.1 1,-0.1 3,-0.3 -0.423 58.4 153.1-130.2 60.1 -49.9 -12.6 -51.2 88 111 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.797 76.1 53.6 -62.2 -30.8 -53.2 -10.6 -51.4 89 112 A N H > S+ 0 0 58 2,-0.2 4,-2.4 1,-0.2 -42,-0.2 0.884 107.5 50.7 -71.2 -37.1 -55.2 -13.5 -49.8 90 113 A L H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.893 107.7 54.6 -62.6 -40.4 -52.8 -13.6 -46.9 91 114 A F H X S+ 0 0 90 -4,-2.1 4,-2.4 -7,-0.3 -2,-0.2 0.946 108.9 47.6 -54.4 -48.4 -53.4 -9.8 -46.6 92 115 A K H X S+ 0 0 41 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.895 110.0 53.3 -62.1 -41.5 -57.2 -10.5 -46.4 93 116 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.927 110.3 45.5 -59.9 -47.7 -56.6 -13.2 -43.8 94 117 A R H X S+ 0 0 36 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.923 112.0 54.1 -60.8 -42.8 -54.6 -11.0 -41.5 95 118 A Q H < S+ 0 0 83 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.921 111.2 43.3 -58.3 -47.1 -57.2 -8.2 -42.0 96 119 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 6,-0.4 0.888 111.5 53.8 -71.1 -35.6 -60.1 -10.4 -40.9 97 120 A L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 115.4 40.0 -67.3 -30.8 -58.2 -11.9 -37.9 98 121 A Y T 3< S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.297 90.2 123.1-102.1 10.9 -57.4 -8.5 -36.5 99 122 A S S <> S- 0 0 12 -3,-0.9 4,-2.8 -4,-0.3 5,-0.2 -0.269 74.1-118.0 -64.0 154.2 -60.8 -7.0 -37.4 100 123 A K H > S+ 0 0 89 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.903 115.0 57.1 -57.0 -42.4 -62.9 -5.4 -34.6 101 124 A Q H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 112.8 38.0 -56.3 -49.9 -65.6 -8.0 -35.3 102 125 A Y H > S+ 0 0 0 -6,-0.4 4,-3.1 2,-0.2 5,-0.2 0.909 115.1 53.3 -71.1 -42.0 -63.2 -11.0 -34.7 103 126 A R H X S+ 0 0 35 -4,-2.8 4,-2.8 2,-0.2 5,-0.3 0.880 107.6 51.5 -60.4 -38.9 -61.4 -9.4 -31.8 104 127 A D H X S+ 0 0 64 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.919 114.7 43.5 -65.0 -42.6 -64.6 -8.7 -30.0 105 128 A F H X S+ 0 0 5 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.943 117.2 45.3 -60.6 -51.6 -65.6 -12.4 -30.4 106 129 A F H X S+ 0 0 0 -4,-3.1 4,-1.6 1,-0.2 6,-0.2 0.884 112.3 49.8 -67.9 -42.0 -62.2 -13.7 -29.5 107 130 A G H X>S+ 0 0 5 -4,-2.8 5,-1.7 -5,-0.2 6,-0.9 0.845 111.0 52.6 -64.4 -35.1 -61.7 -11.5 -26.5 108 131 A Y H ><5S+ 0 0 75 -4,-1.4 3,-0.9 -5,-0.3 -2,-0.2 0.956 110.0 44.0 -64.6 -54.2 -65.1 -12.5 -25.2 109 132 A V H 3<5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.802 119.6 43.1 -66.7 -28.0 -64.7 -16.3 -25.4 110 133 A T H 3<5S- 0 0 11 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.464 101.9-130.2 -93.7 -4.1 -61.2 -16.2 -23.9 111 134 A K T <<5 + 0 0 122 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.854 68.5 131.1 54.2 37.8 -62.1 -13.6 -21.2 112 135 A A < - 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0 0 3 27,-2.7 3,-1.8 -2,-0.3 4,-0.3 -0.299 28.0-120.5 -57.5 141.0 -7.4 -48.5 -23.7 294 344 A P G >> S+ 0 0 94 0, 0.0 3,-1.5 0, 0.0 4,-1.0 0.804 109.2 67.2 -54.9 -31.0 -3.6 -49.2 -23.7 295 345 A E G 34 S+ 0 0 97 1,-0.3 25,-0.1 2,-0.2 -2,-0.0 0.709 101.5 47.0 -66.9 -19.8 -3.1 -46.4 -26.3 296 346 A H G <4 S+ 0 0 20 -3,-1.8 -1,-0.3 24,-0.2 -3,-0.1 0.378 112.8 49.7 -99.1 2.9 -4.1 -43.7 -23.7 297 347 A L T <4 S+ 0 0 19 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.1 0.447 85.6 104.4-117.2 -6.2 -1.9 -45.2 -21.0 298 348 A S S X S- 0 0 51 -4,-1.0 4,-2.8 1,-0.1 5,-0.3 -0.355 82.9-110.7 -74.8 157.9 1.4 -45.4 -22.9 299 349 A S H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.910 118.8 37.1 -54.9 -45.8 4.2 -42.9 -22.4 300 350 A K H > S+ 0 0 139 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.785 113.6 56.5 -81.9 -28.2 3.8 -41.3 -25.8 301 351 A G H > S+ 0 0 17 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.921 111.0 45.2 -62.5 -46.4 -0.0 -41.6 -25.8 302 352 A I H X S+ 0 0 12 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.920 110.0 54.5 -63.7 -44.7 -0.1 -39.7 -22.5 303 353 A E H X S+ 0 0 95 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.891 108.3 49.3 -57.6 -41.0 2.4 -37.1 -23.8 304 354 A K H X S+ 0 0 138 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.932 111.8 47.9 -64.1 -46.1 0.2 -36.4 -26.9 305 355 A L H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.905 110.2 52.2 -61.9 -42.8 -2.9 -35.9 -24.7 306 356 A Q H X S+ 0 0 56 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.912 111.5 47.3 -58.0 -44.2 -1.0 -33.6 -22.3 307 357 A K H X S+ 0 0 128 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.890 110.8 51.2 -64.7 -43.2 0.1 -31.5 -25.3 308 358 A Q H X S+ 0 0 62 -4,-2.5 4,-2.6 2,-0.2 6,-0.5 0.914 110.5 49.1 -61.5 -43.0 -3.5 -31.4 -26.7 309 359 A F H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.901 110.3 50.7 -66.0 -40.5 -4.9 -30.3 -23.4 310 360 A V H < S+ 0 0 113 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.925 117.5 39.9 -58.3 -44.8 -2.3 -27.5 -23.0 311 361 A E H < S+ 0 0 121 -4,-2.2 -2,-0.2 1,-0.1 -1,-0.2 0.856 132.9 20.1 -76.0 -35.8 -3.0 -26.2 -26.6 312 362 A N H < S- 0 0 105 -4,-2.6 -3,-0.2 2,-0.3 -2,-0.2 0.599 85.5-131.2-112.2 -17.4 -6.8 -26.5 -26.6 313 363 A S S < S+ 0 0 54 -4,-2.4 216,-2.6 -5,-0.4 2,-0.3 0.773 86.2 73.3 57.8 28.9 -7.9 -26.7 -22.9 314 364 A S E -Q 528 0H 24 -6,-0.5 2,-0.3 214,-0.2 -2,-0.3 -0.975 65.6-150.1-159.4 158.6 -9.9 -29.7 -24.1 315 365 A L E -Q 527 0H 2 212,-2.5 212,-2.7 -2,-0.3 2,-0.4 -0.987 3.1-167.6-131.8 144.2 -9.5 -33.3 -25.2 316 366 A Q E -Q 526 0H 99 -2,-0.3 2,-0.4 210,-0.2 210,-0.2 -0.840 20.0-173.4-130.4 97.5 -11.6 -35.4 -27.6 317 367 A I E -Q 525 0H 7 208,-3.3 208,-2.8 -2,-0.4 3,-0.4 -0.770 9.9-154.5 -99.6 130.1 -10.6 -39.0 -27.2 318 368 A E S S+ 0 0 156 -2,-0.4 206,-0.2 1,-0.2 205,-0.1 -0.737 77.6 12.0 -98.7 154.0 -11.8 -41.9 -29.4 319 369 A S S S+ 0 0 66 204,-0.4 -1,-0.2 203,-0.4 205,-0.2 0.932 77.8 166.9 44.4 57.0 -12.0 -45.5 -28.2 320 370 A F + 0 0 1 203,-2.2 -27,-2.7 -3,-0.4 -24,-0.2 0.960 52.0 58.7 -66.5 -55.1 -11.4 -44.4 -24.7 321 371 A L B S-P 292 0G 1 -29,-0.3 -29,-0.3 1,-0.1 -30,-0.1 -0.448 94.6-102.6 -76.1 149.9 -12.3 -47.6 -22.8 322 372 A N > - 0 0 18 -31,-2.9 4,-2.7 -2,-0.1 5,-0.2 -0.067 35.9 -98.0 -66.2 170.6 -10.4 -50.9 -23.6 323 373 A D H > S+ 0 0 124 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.881 119.5 53.8 -59.1 -42.9 -11.8 -53.7 -25.7 324 374 A D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.931 116.2 36.9 -59.0 -50.0 -13.0 -55.8 -22.8 325 375 A K H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.859 114.9 54.6 -75.5 -37.9 -15.1 -53.0 -21.2 326 376 A S H X S+ 0 0 17 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.922 111.7 45.7 -57.4 -46.5 -16.2 -51.5 -24.5 327 377 A E H X S+ 0 0 129 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.907 113.3 49.3 -65.3 -42.5 -17.6 -55.0 -25.6 328 378 A L H X S+ 0 0 83 -4,-1.9 4,-2.1 -5,-0.2 5,-0.2 0.947 114.4 44.1 -60.8 -51.4 -19.2 -55.6 -22.2 329 379 A L H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.874 112.5 51.8 -64.5 -39.2 -21.0 -52.2 -22.1 330 380 A K H X S+ 0 0 82 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.928 110.0 50.0 -64.1 -43.9 -22.1 -52.4 -25.8 331 381 A K H X S+ 0 0 160 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.932 115.1 41.5 -58.5 -49.3 -23.6 -55.8 -25.2 332 382 A V H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 85,-0.3 0.877 116.1 47.9 -73.5 -36.9 -25.6 -54.8 -22.1 333 383 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.936 113.6 47.7 -67.8 -45.5 -26.8 -51.4 -23.5 334 384 A K H X S+ 0 0 100 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.906 110.6 52.6 -61.1 -41.8 -27.9 -52.9 -26.8 335 385 A Q H X S+ 0 0 36 -4,-2.1 4,-2.2 -5,-0.2 5,-0.4 0.909 111.2 46.5 -60.0 -43.7 -29.7 -55.7 -25.0 336 386 A K H X S+ 0 0 16 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.914 114.1 48.5 -65.8 -41.6 -31.6 -53.1 -22.9 337 387 A E H < S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 121.4 33.5 -62.5 -41.8 -32.4 -51.0 -26.0 338 388 A L H < S+ 0 0 135 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.730 129.5 28.9 -92.3 -23.6 -33.7 -54.0 -28.1 339 389 A E H < S+ 0 0 77 -4,-2.2 2,-0.3 -5,-0.2 -3,-0.2 0.523 107.4 66.9-119.3 -9.5 -35.3 -56.3 -25.5 340 390 A Q S < S- 0 0 23 -4,-1.5 2,-0.5 -5,-0.4 73,-0.1 -0.802 74.8-115.4-118.9 158.0 -36.5 -54.0 -22.7 341 391 A E - 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0 0 21 -8,-0.4 -8,-3.0 -2,-0.3 2,-0.4 -0.942 56.4-101.7-172.0 166.5 -33.5 -36.8 -19.3 365 415 A L E +RS 355 454H 2 89,-2.6 89,-2.7 -2,-0.3 2,-0.3 -0.800 42.4 177.3 -98.4 143.9 -33.1 -39.9 -17.2 366 416 A Y E -RS 354 453H 1 -12,-2.2 -12,-2.0 -2,-0.4 2,-0.5 -0.997 30.7-145.2-147.3 150.8 -30.1 -40.1 -14.8 367 417 A I E + S 0 452H 0 85,-2.4 85,-2.3 -2,-0.3 -14,-0.1 -0.984 25.7 163.0-108.9 118.9 -28.5 -42.2 -12.1 368 418 A D - 0 0 12 -2,-0.5 82,-0.2 -16,-0.4 -1,-0.1 0.419 52.4-117.9-112.3 -3.7 -26.9 -40.0 -9.4 369 419 A G S S+ 0 0 5 -17,-0.4 23,-2.2 1,-0.3 27,-0.1 0.501 74.5 123.8 76.7 5.1 -26.5 -42.7 -6.7 370 420 A K S S- 0 0 41 21,-0.2 -1,-0.3 1,-0.2 -2,-0.2 -0.439 74.5 -71.5 -89.7 169.9 -28.8 -40.8 -4.3 371 421 A E - 0 0 101 1,-0.1 -1,-0.2 19,-0.1 18,-0.1 -0.230 69.5 -79.7 -60.5 150.9 -32.0 -42.1 -2.7 372 422 A Y - 0 0 103 -3,-0.1 2,-0.4 -18,-0.0 -1,-0.1 -0.205 51.9-177.9 -56.8 136.3 -34.9 -42.6 -5.1 373 423 A R + 0 0 30 -20,-0.3 2,-0.3 -3,-0.1 -18,-0.3 -0.999 16.3 177.5-135.8 139.2 -37.0 -39.6 -6.0 374 424 A N - 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