==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER H3K4ME3 BINDING PROTEIN, TRANSFERASE 29-NOV-09 3KV5 . COMPND 2 MOLECULE: JMJC DOMAIN-CONTAINING HISTONE DEMETHYLATION . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.HORTON,A.K.UPADHYAY,H.H.QI,X.ZHANG,Y.SHI,X.CHENG . 892 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 597 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 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 . 64 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 3 2 2 4 2 4 0 2 0 2 0 1 2 0 1 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 3 5 6 4 2 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 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 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 32 D P 0 0 175 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.6 -23.3 75.8 -25.6 2 33 D P - 0 0 118 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.428 360.0 -93.7 -73.7 144.6 -24.0 72.0 -25.8 3 34 D P - 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.342 47.9-130.3 -58.7 133.7 -24.6 70.0 -22.6 4 35 D P - 0 0 105 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.049 43.1 -54.3 -76.3-177.9 -21.2 68.4 -21.5 5 36 D P - 0 0 90 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.335 67.3-106.2 -59.1 135.5 -20.5 64.8 -20.6 6 37 D P - 0 0 71 0, 0.0 9,-0.7 0, 0.0 2,-0.5 -0.250 28.5-139.3 -62.6 153.0 -22.8 63.6 -17.8 7 38 D V E +A 14 0A 63 7,-0.2 2,-0.2 -3,-0.1 23,-0.1 -0.972 29.2 169.2-119.5 128.0 -21.4 63.2 -14.3 8 39 D Y E > +A 13 0A 60 5,-2.0 5,-1.7 -2,-0.5 4,-0.5 -0.673 25.9 32.1-128.9-178.4 -22.3 60.2 -12.2 9 40 D C T > 5S- 0 0 2 21,-2.3 3,-0.6 -2,-0.2 22,-0.1 0.297 87.8 -73.9 59.4 173.6 -21.6 58.2 -9.0 10 41 D V T 3 5S+ 0 0 78 1,-0.2 -1,-0.2 22,-0.1 21,-0.1 0.735 131.6 60.1 -74.5 -23.8 -20.3 59.3 -5.6 11 42 D C T 3 5S- 0 0 53 2,-0.1 -1,-0.2 21,-0.0 -2,-0.2 0.671 105.5-138.3 -75.9 -15.7 -16.8 59.8 -7.0 12 43 D R T < 5 + 0 0 147 -3,-0.6 -3,-0.2 -4,-0.5 -2,-0.1 0.992 46.3 136.8 57.4 77.2 -18.5 62.3 -9.3 13 44 D Q E < -A 8 0A 69 -5,-1.7 -5,-2.0 1,-0.0 -1,-0.2 -0.984 55.5 -78.9-150.6 162.0 -16.9 61.7 -12.7 14 45 D P E -A 7 0A 77 0, 0.0 2,-0.2 0, 0.0 -7,-0.2 -0.112 63.5 -84.2 -53.3 153.3 -17.6 61.4 -16.5 15 46 D Y - 0 0 125 -9,-0.7 2,-0.6 1,-0.0 3,-0.0 -0.438 40.6-157.8 -66.3 129.1 -18.9 58.2 -17.8 16 47 D D > - 0 0 68 -2,-0.2 3,-1.7 3,-0.1 -1,-0.0 -0.952 7.3-154.0-111.0 116.2 -16.2 55.6 -18.5 17 48 D V T 3 S+ 0 0 109 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.670 91.6 60.8 -64.5 -18.0 -17.3 52.9 -21.0 18 49 D N T 3 S+ 0 0 153 2,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.310 92.7 82.4 -92.7 9.7 -14.9 50.4 -19.5 19 50 D R S < S- 0 0 76 -3,-1.7 2,-0.2 14,-0.0 -3,-0.1 -0.960 79.2-121.7-123.6 131.8 -16.5 50.4 -16.1 20 51 D F - 0 0 52 -2,-0.4 13,-1.8 12,-0.0 14,-0.4 -0.430 34.5-174.9 -66.5 130.6 -19.6 48.6 -14.8 21 52 D M E -B 32 0B 22 11,-0.3 2,-0.3 -2,-0.2 11,-0.2 -0.954 12.8-161.8-131.2 151.0 -22.4 50.9 -13.5 22 53 D I E -B 31 0B 20 9,-2.8 9,-2.9 -2,-0.3 2,-0.4 -0.968 18.4-127.4-130.9 145.0 -25.7 50.3 -11.9 23 54 D E E -B 30 0B 75 -2,-0.3 2,-0.5 7,-0.2 26,-0.5 -0.803 12.9-132.1-100.5 134.6 -28.6 52.7 -11.5 24 55 D C B > -c 49 0C 0 5,-1.8 4,-1.8 -2,-0.4 26,-0.2 -0.694 9.6-150.7 -81.4 122.6 -30.4 53.6 -8.3 25 56 D D T 4 S+ 0 0 56 24,-2.4 -1,-0.1 -2,-0.5 25,-0.1 0.650 92.1 48.4 -66.7 -17.0 -34.2 53.3 -8.7 26 57 D I T 4 S+ 0 0 58 23,-0.5 -1,-0.1 3,-0.1 24,-0.1 0.939 125.8 18.8 -88.2 -70.6 -34.7 56.0 -6.1 27 58 D C T 4 S- 0 0 63 1,-0.1 -2,-0.2 2,-0.0 3,-0.1 0.656 92.3-137.5 -76.8 -16.0 -32.4 58.9 -6.9 28 59 D K < + 0 0 115 -4,-1.8 -3,-0.1 1,-0.2 2,-0.1 0.651 58.1 129.9 69.1 16.5 -31.9 57.7 -10.6 29 60 D D - 0 0 44 -5,-0.1 -5,-1.8 -21,-0.0 2,-0.4 -0.365 55.9-118.6 -89.2 177.4 -28.2 58.4 -10.6 30 61 D W E -B 23 0B 96 -7,-0.2 -21,-2.3 -2,-0.1 2,-0.4 -0.949 24.9-163.4-122.5 143.8 -25.6 55.9 -11.7 31 62 D F E -B 22 0B 7 -9,-2.9 -9,-2.8 -2,-0.4 2,-0.4 -0.967 24.6-119.2-131.7 144.1 -22.9 54.3 -9.7 32 63 D H E >> -B 21 0B 1 -2,-0.4 3,-1.6 -11,-0.2 4,-0.9 -0.622 28.0-133.8 -72.1 130.3 -19.7 52.3 -10.5 33 64 D G H >>>S+ 0 0 2 -13,-1.8 5,-2.8 -2,-0.4 4,-0.9 0.851 106.3 58.1 -55.2 -34.3 -20.2 48.9 -8.8 34 65 D S H 345S+ 0 0 99 -14,-0.4 -1,-0.3 1,-0.2 5,-0.1 0.723 103.1 52.5 -69.6 -20.7 -16.7 49.3 -7.4 35 66 D C H <45S+ 0 0 51 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.644 121.6 30.1 -88.7 -15.7 -17.6 52.5 -5.6 36 67 D V H <<5S- 0 0 28 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.272 115.3-102.7-125.3 8.9 -20.6 51.0 -3.9 37 68 D G T <5S+ 0 0 65 -4,-0.9 2,-0.5 1,-0.2 -3,-0.2 0.895 71.4 135.6 74.1 43.3 -19.6 47.4 -3.5 38 69 D V < - 0 0 12 -5,-2.8 -1,-0.2 -6,-0.1 -2,-0.1 -0.956 42.4-146.4-126.7 112.8 -21.5 45.6 -6.2 39 70 D E >> - 0 0 44 -2,-0.5 3,-1.2 1,-0.1 4,-0.7 -0.415 25.4-116.1 -73.0 151.8 -19.6 43.0 -8.3 40 71 D E G >4 S+ 0 0 74 133,-0.6 3,-0.8 1,-0.3 4,-0.4 0.854 117.2 55.3 -56.8 -35.3 -20.6 42.6 -12.0 41 72 D H G 34 S+ 0 0 20 1,-0.2 3,-0.3 132,-0.2 -1,-0.3 0.743 102.4 57.1 -70.0 -23.0 -21.8 39.1 -11.2 42 73 D H G X> S+ 0 0 61 -3,-1.2 3,-1.4 1,-0.2 4,-0.8 0.640 85.8 83.4 -81.6 -14.3 -24.1 40.4 -8.5 43 74 D A G X< S+ 0 0 30 -3,-0.8 3,-0.9 -4,-0.7 -1,-0.2 0.883 84.5 55.1 -56.9 -43.4 -25.9 42.7 -11.0 44 75 D V G 34 S+ 0 0 47 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.614 101.8 59.2 -68.9 -11.1 -28.2 40.0 -12.3 45 76 D D G <4 S+ 0 0 16 -3,-1.4 19,-3.2 -4,-0.1 2,-0.4 0.710 89.1 88.3 -87.2 -22.3 -29.5 39.3 -8.7 46 77 D I E << +D 63 0D 16 -3,-0.9 17,-0.2 -4,-0.8 3,-0.2 -0.648 46.8 177.7 -82.9 127.4 -30.7 42.8 -8.2 47 78 D D E S+ 0 0 91 15,-2.9 2,-0.5 -2,-0.4 16,-0.2 0.906 81.4 7.0 -89.1 -61.6 -34.2 43.8 -9.2 48 79 D L E S-D 62 0D 59 14,-1.8 14,-2.5 2,-0.0 -1,-0.3 -0.946 81.1-142.0-127.8 111.5 -34.2 47.4 -8.1 49 80 D Y B -c 24 0C 17 -26,-0.5 -24,-2.4 -2,-0.5 -23,-0.5 -0.495 11.1-164.8 -77.2 135.4 -31.0 48.9 -6.9 50 81 D H - 0 0 24 -2,-0.2 11,-0.4 -26,-0.2 -26,-0.1 -0.983 18.5-134.0-117.9 123.7 -30.8 51.3 -3.9 51 82 D C > - 0 0 3 -2,-0.5 4,-2.4 1,-0.1 3,-0.1 -0.332 31.6 -99.6 -71.5 160.9 -27.6 53.3 -3.4 52 83 D P H > S+ 0 0 70 0, 0.0 4,-0.8 0, 0.0 7,-0.1 0.859 121.8 46.8 -48.5 -43.8 -26.1 53.5 0.1 53 84 D N H >4 S+ 0 0 118 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.913 113.9 45.2 -69.6 -42.8 -27.5 57.0 0.7 54 85 D C H >> S+ 0 0 21 1,-0.2 4,-2.3 2,-0.1 3,-1.1 0.818 105.3 66.6 -69.6 -26.8 -31.0 56.2 -0.5 55 86 D A H 3X S+ 0 0 27 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.776 83.4 70.0 -66.2 -28.3 -31.0 53.0 1.5 56 87 D V H << S+ 0 0 115 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.1 0.766 118.6 21.6 -63.2 -22.6 -30.8 54.6 4.9 57 88 D L H <4 S+ 0 0 151 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.655 134.2 36.9-113.8 -26.0 -34.4 55.7 4.4 58 89 D H H < S- 0 0 110 -4,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.363 104.9-122.7-109.5 3.2 -35.7 53.3 1.7 59 90 D G < - 0 0 35 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.1 0.074 45.1 -40.3 76.7 167.8 -34.0 50.1 2.8 60 91 D S S S- 0 0 103 1,-0.1 -9,-0.1 -4,-0.1 3,-0.1 -0.086 80.7 -65.4 -64.6 163.5 -31.6 47.9 0.9 61 92 D S - 0 0 23 -11,-0.4 2,-0.7 1,-0.1 -12,-0.2 -0.050 49.2-109.8 -50.8 147.0 -32.0 46.9 -2.8 62 93 D L E -D 48 0D 88 -14,-2.5 -15,-2.9 -3,-0.1 -14,-1.8 -0.710 40.4-155.4 -81.3 113.8 -34.9 44.7 -4.0 63 94 D M E -D 46 0D 76 -2,-0.7 -17,-0.2 -17,-0.2 2,-0.2 -0.493 18.6-104.4 -90.9 161.0 -33.4 41.4 -4.9 64 95 D K - 0 0 85 -19,-3.2 2,-0.4 -2,-0.2 -1,-0.1 -0.520 39.6-117.2 -79.6 152.3 -34.8 38.8 -7.3 65 96 D K - 0 0 142 -2,-0.2 2,-0.3 10,-0.1 -1,-0.1 -0.763 16.0-130.9 -98.2 137.1 -36.4 35.8 -5.7 66 97 D R + 0 0 117 -2,-0.4 9,-0.2 1,-0.1 3,-0.1 -0.628 32.3 162.3 -82.6 139.5 -35.2 32.2 -6.1 67 98 D R + 0 0 133 7,-3.3 2,-0.3 -2,-0.3 11,-0.2 0.490 60.7 30.8-129.8 -16.2 -37.8 29.6 -7.0 68 99 D N - 0 0 5 6,-1.2 -1,-0.2 3,-0.1 8,-0.0 -0.930 48.2-151.3-144.2 167.4 -35.7 26.7 -8.3 69 100 D W S S+ 0 0 122 -2,-0.3 21,-2.5 -3,-0.1 22,-0.4 0.357 91.2 59.5-116.4 0.8 -32.3 24.9 -8.0 70 101 D H S S+ 0 0 17 19,-0.2 15,-2.2 20,-0.2 2,-0.3 0.327 87.6 75.6-117.8 10.6 -32.1 23.5 -11.6 71 102 D R S S- 0 0 21 13,-0.2 18,-0.1 1,-0.1 -3,-0.1 -0.930 70.1-131.3-129.0 150.2 -32.1 26.5 -13.9 72 103 D H S S+ 0 0 40 -2,-0.3 2,-0.9 1,-0.2 -1,-0.1 0.856 110.7 55.7 -59.7 -34.3 -29.7 29.3 -15.0 73 104 D D S > S- 0 0 74 1,-0.1 3,-1.4 -3,-0.0 -1,-0.2 -0.848 75.7-170.1-100.2 96.3 -32.6 31.7 -14.3 74 105 D Y T 3 S+ 0 0 41 -2,-0.9 -7,-3.3 1,-0.2 -6,-1.2 0.471 77.0 68.2 -69.9 0.9 -33.3 30.8 -10.7 75 106 D T T 3 S+ 0 0 34 -9,-0.2 -1,-0.2 -8,-0.2 3,-0.1 0.681 72.2 109.8 -92.1 -18.1 -36.5 33.0 -10.7 76 107 D E S < S- 0 0 55 -3,-1.4 -9,-0.2 1,-0.1 -5,-0.1 -0.193 83.2 -93.0 -54.5 146.4 -38.4 30.6 -13.2 77 108 D I - 0 0 111 1,-0.1 2,-1.1 2,-0.0 3,-0.4 -0.310 26.3-128.6 -64.6 146.2 -41.3 28.7 -11.5 78 109 D D + 0 0 100 1,-0.2 -1,-0.1 -11,-0.2 -2,-0.0 -0.416 65.1 128.3 -92.6 58.0 -40.5 25.3 -10.2 79 110 D D S S- 0 0 90 -2,-1.1 -1,-0.2 0, 0.0 -2,-0.0 0.581 77.0-112.8 -89.1 -11.5 -43.4 23.6 -12.0 80 111 D G S S+ 0 0 65 -3,-0.4 -2,-0.1 2,-0.1 -3,-0.0 0.667 84.4 114.7 89.8 19.7 -41.2 20.9 -13.6 81 112 D S + 0 0 69 -4,-0.2 -3,-0.1 2,-0.1 -4,-0.0 0.591 62.9 68.3 -96.4 -13.2 -41.6 21.9 -17.2 82 113 D K S S- 0 0 97 3,-0.0 2,-0.1 1,-0.0 3,-0.1 -0.864 80.7-118.9-112.0 145.5 -37.9 22.8 -17.8 83 114 D P - 0 0 58 0, 0.0 212,-0.1 0, 0.0 -2,-0.1 -0.455 39.1 -90.6 -78.9 149.8 -34.9 20.5 -17.9 84 115 D V - 0 0 33 -2,-0.1 2,-0.3 210,-0.1 -13,-0.2 -0.283 44.6-144.4 -57.1 138.5 -31.9 20.8 -15.5 85 116 D Q > - 0 0 15 -15,-2.2 3,-1.4 -3,-0.1 6,-0.4 -0.827 25.0 -86.8-111.2 153.1 -29.2 23.1 -16.8 86 117 D A T 3 S+ 0 0 4 207,-1.9 3,-0.1 -2,-0.3 -1,-0.1 -0.217 106.5 17.3 -58.5 136.4 -25.4 22.8 -16.4 87 118 D G T 3 S+ 0 0 6 1,-0.3 -1,-0.2 81,-0.1 81,-0.1 0.194 91.6 126.0 90.5 -16.6 -23.7 24.3 -13.3 88 119 D T S <> S- 0 0 2 -3,-1.4 4,-2.3 -18,-0.2 -1,-0.3 -0.242 75.8-106.9 -71.7 162.8 -26.9 24.5 -11.3 89 120 D R H > S+ 0 0 155 -20,-0.3 4,-1.7 1,-0.2 -19,-0.2 0.925 121.9 49.4 -56.9 -45.8 -27.2 23.0 -7.8 90 121 D T H > S+ 0 0 41 -21,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.884 108.8 54.3 -61.0 -38.9 -29.4 20.2 -9.1 91 122 D F H > S+ 0 0 14 -22,-0.4 4,-2.9 -6,-0.4 -1,-0.2 0.940 106.8 48.8 -60.4 -50.1 -27.0 19.5 -11.9 92 123 D I H X S+ 0 0 9 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.847 109.8 55.1 -60.4 -31.4 -24.0 19.1 -9.6 93 124 D K H X S+ 0 0 139 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.948 110.6 42.9 -66.4 -47.8 -26.2 16.7 -7.5 94 125 D E H X S+ 0 0 80 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.880 113.6 53.1 -66.7 -36.6 -27.0 14.6 -10.5 95 126 D L H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.915 106.0 52.2 -65.8 -42.7 -23.4 14.6 -11.7 96 127 D R H 3< S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.779 113.2 45.6 -65.4 -24.5 -22.1 13.5 -8.3 97 128 D S H 3< S+ 0 0 89 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.576 90.1 106.2 -94.6 -10.6 -24.4 10.5 -8.3 98 129 D R << - 0 0 70 -4,-0.9 2,-0.5 -3,-0.6 -3,-0.0 -0.312 65.2-134.0 -66.7 153.5 -23.8 9.5 -11.9 99 130 D V + 0 0 138 -2,-0.0 -2,-0.1 207,-0.0 -1,-0.1 -0.942 28.2 173.3-113.7 129.0 -21.7 6.4 -12.6 100 131 D F - 0 0 32 -2,-0.5 2,-0.3 203,-0.0 205,-0.1 -0.864 40.5 -93.9-129.1 162.9 -18.9 6.5 -15.2 101 132 D P - 0 0 31 0, 0.0 205,-2.1 0, 0.0 202,-0.0 -0.627 54.1-103.7 -76.8 136.0 -16.2 4.0 -16.3 102 133 D S B > -e 306 0E 53 -2,-0.3 3,-2.0 203,-0.2 4,-0.2 -0.305 17.6-128.2 -60.6 140.5 -13.0 4.8 -14.3 103 134 D A G >> S+ 0 0 2 203,-2.9 4,-2.4 1,-0.3 3,-1.8 0.668 99.5 87.4 -62.9 -14.3 -10.3 6.7 -16.3 104 135 D D G 34 S+ 0 0 100 202,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.725 76.4 69.1 -58.2 -19.2 -8.0 3.9 -15.1 105 136 D E G <4 S+ 0 0 121 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.809 117.7 12.1 -69.7 -30.5 -9.2 2.0 -18.2 106 137 D I T <4 S+ 0 0 31 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.731 101.3 90.2-119.7 -33.8 -7.4 4.4 -20.7 107 138 D I < - 0 0 16 -4,-2.4 2,-0.5 20,-0.1 22,-0.2 -0.246 65.1-132.2 -68.2 160.7 -4.9 6.7 -19.1 108 139 D I E -f 129 0E 45 20,-1.9 22,-2.7 19,-0.1 2,-0.4 -0.951 13.1-153.2-116.4 130.0 -1.3 5.8 -18.7 109 140 D K E +f 130 0E 117 -2,-0.5 2,-0.3 20,-0.2 22,-0.2 -0.846 29.5 147.0-102.7 138.2 0.5 6.3 -15.4 110 141 D M - 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0 0 116 1,-0.1 2,-1.3 -9,-0.0 -1,-0.1 -0.242 33.2-127.4 -56.7 139.2 53.6 -27.3 -11.3 524 109 A D + 0 0 95 -11,-0.3 -1,-0.1 -3,-0.1 4,-0.1 -0.579 64.8 117.2 -94.3 76.0 52.6 -24.0 -9.6 525 110 A D S S- 0 0 89 -2,-1.3 -1,-0.1 2,-0.2 3,-0.0 0.672 81.6 -78.2-101.3 -98.0 55.2 -21.5 -11.0 526 111 A G S S+ 0 0 70 -3,-0.1 -2,-0.1 3,-0.0 -3,-0.0 0.493 93.7 93.2-146.1 -24.9 54.1 -18.6 -13.1 527 112 A S S S+ 0 0 64 2,-0.0 -2,-0.2 0, 0.0 0, 0.0 -0.192 70.2 47.9 -67.7 170.0 53.4 -19.7 -16.6 528 113 A K S S- 0 0 110 -4,-0.1 3,-0.1 2,-0.0 2,-0.0 0.764 80.7-118.1 64.5 119.9 49.9 -20.7 -17.5 529 114 A P - 0 0 60 0, 0.0 2,-0.2 0, 0.0 212,-0.1 -0.249 38.1 -75.0 -82.6 173.1 47.0 -18.4 -16.6 530 115 A V - 0 0 34 210,-0.1 2,-0.3 -13,-0.1 -13,-0.2 -0.452 49.5-144.0 -68.6 136.2 44.0 -19.0 -14.3 531 116 A Q > - 0 0 15 -15,-2.6 3,-1.5 -2,-0.2 6,-0.4 -0.751 25.9 -86.5-106.8 153.1 41.3 -21.2 -15.8 532 117 A A T 3 S+ 0 0 4 207,-1.8 3,-0.1 -2,-0.3 -1,-0.1 -0.273 107.3 15.4 -57.8 130.7 37.5 -21.0 -15.5 533 118 A G T 3 S+ 0 0 6 1,-0.3 -1,-0.2 81,-0.1 81,-0.1 0.189 90.2 126.9 95.3 -18.3 35.9 -22.7 -12.5 534 119 A T S <> S- 0 0 3 -3,-1.5 4,-2.3 -18,-0.2 -1,-0.3 -0.246 75.1-106.9 -70.9 162.1 39.1 -23.3 -10.5 535 120 A R H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -19,-0.2 0.918 123.0 49.9 -54.3 -46.3 39.3 -22.1 -6.8 536 121 A T H > S+ 0 0 23 -21,-2.3 4,-2.4 1,-0.2 5,-0.2 0.919 108.3 53.7 -58.0 -45.5 41.6 -19.3 -7.9 537 122 A F H > S+ 0 0 13 -22,-0.4 4,-2.5 -6,-0.4 -1,-0.2 0.918 108.6 48.8 -56.1 -46.7 39.1 -18.2 -10.6 538 123 A I H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.859 109.2 52.5 -63.5 -37.1 36.3 -18.0 -8.1 539 124 A K H X S+ 0 0 140 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.924 113.0 44.0 -66.4 -43.1 38.3 -15.9 -5.7 540 125 A E H X S+ 0 0 82 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.876 112.9 52.6 -68.8 -36.9 39.2 -13.4 -8.4 541 126 A L H >< S+ 0 0 2 -4,-2.5 3,-0.9 -5,-0.2 -2,-0.2 0.936 106.2 52.8 -64.2 -45.6 35.6 -13.4 -9.7 542 127 A R H 3< S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 112.7 44.4 -61.6 -28.7 34.2 -12.7 -6.2 543 128 A S H 3< S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.2 -2,-0.2 0.527 88.9 110.5 -96.0 -5.5 36.5 -9.7 -5.8 544 129 A R << - 0 0 72 -3,-0.9 2,-0.6 -4,-0.8 -3,-0.0 -0.227 67.5-125.8 -63.6 158.0 35.9 -8.2 -9.3 545 130 A V + 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.938 32.6 175.4-113.6 119.1 34.0 -5.0 -9.6 546 131 A F - 0 0 32 -2,-0.6 205,-0.1 203,-0.1 2,-0.1 -0.868 38.2-104.4-120.7 153.0 31.0 -4.9 -12.0 547 132 A P - 0 0 35 0, 0.0 205,-2.2 0, 0.0 2,-0.1 -0.530 52.6-104.0 -70.5 146.7 28.4 -2.4 -12.8 548 133 A S B > -u 752 0K 52 203,-0.2 3,-1.9 1,-0.1 205,-0.2 -0.446 14.5-128.5 -72.5 144.9 25.2 -3.4 -11.0 549 134 A A G >> S+ 0 0 1 203,-2.4 4,-2.5 1,-0.3 3,-1.4 0.570 99.9 86.2 -68.4 -5.3 22.4 -5.0 -13.1 550 135 A D G 34 S+ 0 0 106 202,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.812 77.9 67.6 -63.3 -26.2 20.2 -2.4 -11.5 551 136 A E G <4 S+ 0 0 113 -3,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.702 118.5 13.9 -65.4 -22.2 21.3 -0.1 -14.4 552 137 A I T <4 S+ 0 0 36 -3,-1.4 -2,-0.2 -4,-0.2 -1,-0.1 0.706 100.5 90.6-126.6 -33.7 19.5 -2.2 -17.0 553 138 A I < - 0 0 18 -4,-2.5 2,-0.6 1,-0.1 22,-0.2 -0.194 65.3-127.9 -69.4 163.8 17.0 -4.7 -15.7 554 139 A I E -v 575 0K 55 20,-2.0 22,-2.1 19,-0.1 2,-0.5 -0.945 12.8-150.0-115.2 115.0 13.3 -4.0 -15.1 555 140 A K E +v 576 0K 117 -2,-0.6 2,-0.3 20,-0.2 22,-0.2 -0.728 30.7 168.2 -85.6 128.2 11.8 -4.7 -11.8 556 141 A M - 0 0 14 20,-2.5 2,-0.4 -2,-0.5 23,-0.4 -0.869 38.9-114.6-135.7 169.5 8.1 -5.6 -12.1 557 142 A H >> - 0 0 69 -2,-0.3 3,-1.9 20,-0.1 4,-1.0 -0.834 37.2-117.7-101.8 140.5 5.1 -7.0 -10.4 558 143 A G T 34 S+ 0 0 5 23,-0.5 3,-0.2 -2,-0.4 24,-0.2 0.775 111.1 60.6 -49.2 -32.2 3.8 -10.3 -11.8 559 144 A S T 34 S+ 0 0 67 1,-0.2 -1,-0.3 22,-0.2 23,-0.1 0.749 103.3 50.5 -71.2 -22.7 0.5 -8.8 -12.8 560 145 A Q T <4 S+ 0 0 108 -3,-1.9 2,-1.8 1,-0.1 -1,-0.2 0.727 85.2 92.1 -85.5 -24.3 2.1 -6.2 -15.1 561 146 A L < + 0 0 12 -4,-1.0 2,-0.2 -3,-0.2 98,-0.2 -0.528 60.8 142.9 -76.7 85.7 4.2 -8.7 -17.0 562 147 A T > - 0 0 53 -2,-1.8 4,-1.7 1,-0.1 5,-0.1 -0.712 66.0-109.1-120.2 171.4 1.8 -9.5 -19.9 563 148 A Q H > S+ 0 0 58 -2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.916 120.8 54.3 -64.6 -42.9 2.0 -10.2 -23.6 564 149 A R H > S+ 0 0 143 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.892 107.3 51.6 -57.0 -42.5 0.5 -6.8 -24.3 565 150 A Y H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.865 110.9 46.7 -64.5 -38.3 3.2 -5.2 -22.2 566 151 A L H X S+ 0 0 4 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.822 108.6 54.1 -76.6 -29.7 6.0 -7.0 -24.1 567 152 A E H < S+ 0 0 58 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.871 117.0 39.3 -69.5 -34.3 4.6 -6.2 -27.5 568 153 A K H < S+ 0 0 58 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.1 0.898 131.4 23.4 -81.6 -46.6 4.5 -2.5 -26.6 569 154 A H H < S- 0 0 58 -4,-2.5 -3,-0.2 -5,-0.2 3,-0.2 0.573 105.7-129.5 -98.4 -11.2 7.8 -2.1 -24.6 570 155 A G < - 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