==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-OCT-07 3B6R . COMPND 2 MOLECULE: CREATINE KINASE B-TYPE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.M.BONG,J.H.MOON,K.Y.HWANG . 752 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 37 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 7 5 1 4 0 2 2 2 0 0 0 2 0 0 0 0 0 2 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 2 0 3 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 0 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 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 6 A S > 0 0 142 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -56.6 -30.9 5.4 -49.9 2 7 A H H > + 0 0 129 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.898 360.0 50.0 -68.1 -38.3 -33.4 5.6 -47.1 3 8 A N H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.835 103.3 60.3 -67.0 -32.4 -31.8 8.9 -46.1 4 9 A A H 4 S+ 0 0 45 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.863 103.3 52.0 -62.6 -35.1 -32.0 9.9 -49.7 5 10 A L H >< S+ 0 0 78 -4,-1.3 3,-1.3 -3,-0.2 4,-0.4 0.929 108.3 48.9 -66.3 -46.4 -35.8 9.6 -49.4 6 11 A K H >< S+ 0 0 30 -4,-1.6 3,-1.5 1,-0.3 -2,-0.2 0.833 102.4 64.2 -62.5 -32.4 -35.9 11.7 -46.2 7 12 A L T 3< S+ 0 0 69 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.686 90.2 66.4 -65.0 -19.1 -33.8 14.3 -48.1 8 13 A R T < S+ 0 0 199 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.728 91.9 76.2 -74.6 -20.5 -36.7 14.8 -50.5 9 14 A F S < S- 0 0 98 -3,-1.5 5,-0.1 -4,-0.4 0, 0.0 -0.636 101.2 -96.5 -88.7 148.5 -38.7 16.2 -47.7 10 15 A P >> - 0 0 73 0, 0.0 3,-2.0 0, 0.0 4,-1.0 -0.343 37.3-115.0 -60.3 146.2 -38.1 19.8 -46.5 11 16 A A H >> S+ 0 0 23 1,-0.3 4,-1.6 2,-0.2 3,-0.9 0.881 116.1 56.0 -51.6 -41.6 -35.7 19.7 -43.5 12 17 A E H 34 S+ 0 0 166 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.624 100.4 59.2 -69.8 -10.7 -38.4 21.1 -41.2 13 18 A D H <4 S+ 0 0 103 -3,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.743 113.9 36.3 -85.3 -25.8 -40.7 18.3 -42.2 14 19 A E H << S+ 0 0 55 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.1 0.594 90.8 116.2 -98.4 -16.0 -38.2 15.7 -40.8 15 20 A F S < S- 0 0 60 -4,-1.6 -3,-0.0 -5,-0.2 2,-0.0 -0.318 71.9-114.2 -57.3 126.6 -37.1 17.9 -37.9 16 21 A P - 0 0 16 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.319 18.8-119.4 -66.6 144.3 -38.0 16.2 -34.6 17 22 A D + 0 0 121 1,-0.1 3,-0.2 2,-0.0 -2,-0.0 -0.739 44.9 159.9 -84.5 101.8 -40.5 17.8 -32.3 18 23 A L > + 0 0 27 -2,-1.1 3,-1.2 1,-0.2 -1,-0.1 -0.007 29.7 121.1-112.8 28.0 -38.5 18.4 -29.1 19 24 A S T 3 S+ 0 0 106 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.808 84.8 34.6 -61.6 -32.7 -40.7 21.1 -27.6 20 25 A A T 3 S+ 0 0 79 -3,-0.2 -1,-0.3 2,-0.0 2,-0.2 0.219 98.6 116.3-106.8 13.4 -41.3 19.0 -24.5 21 26 A H < - 0 0 34 -3,-1.2 39,-0.2 5,-0.1 -3,-0.1 -0.483 41.6-172.2 -87.7 155.0 -37.8 17.5 -24.4 22 27 A N B +a 60 0A 56 37,-4.2 39,-0.9 -2,-0.2 44,-0.9 -0.535 43.5 105.3-143.5 69.3 -35.1 17.9 -21.8 23 28 A N B > S-b 66 0B 1 42,-0.2 4,-2.0 37,-0.2 44,-0.2 -0.954 76.7-104.4-144.4 162.0 -31.8 16.4 -22.9 24 29 A H H > S+ 0 0 12 42,-2.7 4,-1.5 -2,-0.3 5,-0.2 0.868 118.3 54.6 -55.1 -41.0 -28.4 17.6 -24.2 25 30 A M H >> S+ 0 0 0 42,-2.0 4,-2.5 41,-0.2 3,-0.5 0.956 109.2 47.2 -58.0 -51.9 -29.2 16.6 -27.8 26 31 A A H 34 S+ 0 0 19 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.859 107.3 58.2 -58.3 -38.3 -32.5 18.6 -27.8 27 32 A K H 3< S+ 0 0 127 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 117.1 31.3 -62.0 -36.8 -30.7 21.6 -26.3 28 33 A V H << S+ 0 0 23 -4,-1.5 2,-1.5 -3,-0.5 -2,-0.2 0.733 91.9 97.5 -96.5 -24.3 -28.2 21.8 -29.2 29 34 A L < + 0 0 9 -4,-2.5 -1,-0.1 -5,-0.2 54,-0.1 -0.485 54.1 179.3 -71.6 91.7 -30.2 20.5 -32.1 30 35 A T > - 0 0 61 -2,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.521 44.4-108.9 -88.5 158.6 -31.4 23.7 -33.8 31 36 A P H > S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.898 122.6 50.5 -52.0 -38.3 -33.5 23.7 -37.0 32 37 A E H > S+ 0 0 128 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.926 107.5 49.6 -65.9 -48.7 -30.3 25.0 -38.7 33 38 A L H > S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.879 110.4 52.6 -60.7 -37.3 -28.0 22.4 -37.4 34 39 A Y H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.940 110.2 45.3 -64.2 -48.1 -30.4 19.6 -38.4 35 40 A A H < S+ 0 0 52 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.827 114.3 53.5 -62.8 -30.9 -30.7 20.8 -42.0 36 41 A E H < S+ 0 0 108 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.823 121.3 25.0 -73.5 -35.7 -26.9 21.2 -42.0 37 42 A L H >< S+ 0 0 0 -4,-1.9 3,-1.7 -3,-0.2 11,-0.4 0.611 93.5 89.9-108.9 -14.7 -26.1 17.6 -40.9 38 43 A R T 3< S+ 0 0 28 -4,-2.6 11,-0.2 1,-0.3 10,-0.1 0.698 88.1 53.7 -59.9 -19.8 -29.0 15.4 -41.9 39 44 A A T 3 S+ 0 0 60 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.628 91.4 98.8 -89.7 -11.9 -27.5 14.6 -45.3 40 45 A K < - 0 0 96 -3,-1.7 8,-0.5 39,-0.1 2,-0.3 -0.278 48.9-177.3 -75.3 159.9 -24.2 13.4 -43.8 41 46 A S B -C 47 0C 61 6,-0.2 6,-0.2 7,-0.1 -2,-0.0 -0.992 23.3-125.7-156.5 147.8 -23.1 9.9 -43.2 42 47 A T > - 0 0 6 4,-1.7 3,-2.2 -2,-0.3 34,-0.0 -0.435 44.7 -97.0 -86.1 167.9 -20.2 7.9 -41.7 43 48 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.807 127.7 53.3 -56.3 -29.6 -18.5 5.2 -43.8 44 49 A S T 3 S- 0 0 46 2,-0.1 92,-0.0 1,-0.0 0, 0.0 0.489 124.7-104.4 -84.2 -3.0 -20.7 2.6 -42.0 45 50 A G < + 0 0 33 -3,-2.2 2,-0.4 1,-0.3 -1,-0.0 0.632 65.5 155.2 92.2 14.4 -23.8 4.5 -43.0 46 51 A F - 0 0 7 4,-0.1 -4,-1.7 3,-0.0 -1,-0.3 -0.629 22.6-168.5 -78.8 127.0 -24.6 6.1 -39.6 47 52 A T B > -C 41 0C 11 -2,-0.4 4,-2.3 -6,-0.2 3,-0.2 -0.577 37.6-100.7-111.7 174.5 -26.6 9.3 -40.0 48 53 A L H > S+ 0 0 0 -8,-0.5 4,-2.4 -11,-0.4 5,-0.2 0.894 122.8 55.7 -61.0 -39.7 -27.7 12.2 -37.8 49 54 A D H > S+ 0 0 18 -11,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.882 108.3 49.3 -61.4 -35.4 -31.1 10.6 -37.5 50 55 A D H 4 S+ 0 0 65 2,-0.2 4,-0.4 1,-0.2 3,-0.4 0.926 109.9 51.5 -67.6 -43.9 -29.4 7.5 -36.2 51 56 A V H < S+ 0 0 0 -4,-2.3 19,-1.9 1,-0.2 3,-0.3 0.905 118.3 35.1 -58.7 -44.5 -27.3 9.5 -33.7 52 57 A I H >X S+ 0 0 3 -4,-2.4 4,-1.6 17,-0.2 3,-0.7 0.507 84.7 102.9 -92.3 -5.2 -30.3 11.4 -32.2 53 58 A Q H 3X S+ 0 0 80 -4,-1.1 4,-2.4 -3,-0.4 3,-0.4 0.868 82.8 48.9 -47.6 -47.2 -33.0 8.7 -32.3 54 59 A T H 3> S+ 0 0 6 -4,-0.4 4,-2.2 -3,-0.3 -1,-0.3 0.870 110.1 52.1 -63.7 -34.6 -32.8 7.9 -28.6 55 60 A G H <4 S+ 0 0 0 13,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.770 109.8 49.6 -71.9 -25.2 -32.9 11.6 -27.6 56 61 A V H < S+ 0 0 37 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.926 114.7 43.5 -75.5 -45.8 -36.1 12.0 -29.7 57 62 A D H < S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.811 114.1 53.0 -67.7 -34.6 -37.8 9.0 -28.1 58 63 A N < - 0 0 22 -4,-2.2 -1,-0.2 -5,-0.2 -36,-0.1 -0.869 63.8-168.9-114.1 102.1 -36.8 9.8 -24.6 59 64 A P - 0 0 59 0, 0.0 -37,-4.2 0, 0.0 -1,-0.1 0.735 26.6-158.9 -55.1 -31.5 -37.7 13.4 -23.5 60 65 A G B -a 22 0A 35 -39,-0.2 -37,-0.2 5,-0.1 5,-0.2 -0.462 20.6 -81.8 79.8-154.8 -35.6 13.2 -20.3 61 66 A H - 0 0 28 3,-1.1 5,-0.1 -39,-0.9 -40,-0.0 -0.997 19.3-117.5-154.5 147.7 -36.3 15.5 -17.4 62 67 A P S S+ 0 0 78 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.925 115.7 36.7 -47.0 -57.0 -35.5 19.1 -16.2 63 68 A Y S S+ 0 0 136 1,-0.3 2,-0.9 571,-0.1 572,-0.1 0.949 125.0 40.0 -64.4 -51.5 -33.6 18.0 -13.1 64 69 A I S S- 0 0 89 -41,-0.0 -3,-1.1 -42,-0.0 2,-0.5 -0.818 78.7-165.8-104.3 94.3 -31.9 15.0 -14.7 65 70 A M - 0 0 63 -2,-0.9 -42,-0.2 -3,-0.3 2,-0.1 -0.699 8.6-152.3 -83.0 121.6 -30.9 16.0 -18.2 66 71 A T B -b 23 0B 27 -44,-0.9 -42,-2.7 -2,-0.5 -41,-0.2 -0.446 21.8-116.7 -87.0 165.5 -30.0 12.9 -20.3 67 72 A V - 0 0 14 -44,-0.2 -42,-2.0 -43,-0.2 -41,-0.1 0.923 32.0-157.8 -70.6 -45.7 -27.6 13.0 -23.2 68 73 A G + 0 0 8 -44,-0.2 -13,-0.9 1,-0.1 2,-0.3 0.706 57.3 63.1 77.0 20.4 -30.1 12.0 -25.9 69 74 A C - 0 0 2 -15,-0.2 2,-0.3 -14,-0.1 -17,-0.2 -0.982 55.5-158.7-166.6 161.8 -27.7 10.7 -28.5 70 75 A V - 0 0 12 -19,-1.9 2,-0.3 -2,-0.3 208,-0.2 -0.969 22.5-118.3-145.0 158.4 -25.1 8.0 -29.2 71 76 A A - 0 0 0 206,-2.3 69,-0.2 -2,-0.3 3,-0.1 -0.769 14.6-163.0 -95.2 145.8 -22.2 7.4 -31.6 72 77 A G S S- 0 0 0 -2,-0.3 65,-2.0 1,-0.3 2,-0.3 0.507 73.1 -4.5-104.2 -9.3 -22.6 4.4 -33.9 73 78 A D S > S- 0 0 3 63,-0.3 3,-1.0 203,-0.1 4,-0.5 -0.955 85.4 -85.2-168.1 172.8 -18.9 4.1 -34.8 74 79 A E T > S+ 0 0 37 61,-0.3 3,-0.8 -2,-0.3 4,-0.4 0.861 123.4 57.7 -59.7 -35.9 -15.6 5.9 -34.2 75 80 A E T >> S+ 0 0 84 1,-0.2 4,-2.6 2,-0.2 3,-1.1 0.725 85.0 80.8 -69.1 -22.5 -16.3 8.3 -37.1 76 81 A S H <> S+ 0 0 0 -3,-1.0 4,-2.1 1,-0.3 -1,-0.2 0.868 89.0 54.0 -51.8 -40.6 -19.6 9.5 -35.6 77 82 A Y H <4 S+ 0 0 12 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.776 115.6 39.5 -67.5 -25.7 -17.7 11.9 -33.3 78 83 A E H X4 S+ 0 0 127 -3,-1.1 3,-1.8 -4,-0.4 4,-0.2 0.942 116.9 45.3 -85.5 -59.4 -15.9 13.5 -36.2 79 84 A V H 3< S+ 0 0 42 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.847 126.8 31.3 -52.9 -41.0 -18.6 13.6 -38.8 80 85 A F T >X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.4 3,-1.9 -0.103 78.7 129.2-111.5 35.4 -21.2 14.9 -36.4 81 86 A K H <> + 0 0 76 -3,-1.8 4,-3.2 1,-0.3 -1,-0.2 0.819 64.3 66.9 -60.2 -31.3 -18.8 16.9 -34.2 82 87 A D H 34 S+ 0 0 77 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.691 111.3 36.5 -64.8 -15.2 -21.0 20.0 -34.5 83 88 A L H <> S+ 0 0 0 -3,-1.9 4,-1.5 2,-0.1 -2,-0.2 0.852 121.3 43.1 -96.5 -57.6 -23.6 18.1 -32.5 84 89 A F H X S+ 0 0 0 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.859 105.3 62.7 -57.6 -42.0 -21.3 16.2 -30.1 85 90 A D H X S+ 0 0 20 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.923 107.2 41.8 -53.4 -51.3 -18.9 19.0 -29.3 86 91 A P H > S+ 0 0 48 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.884 117.4 48.9 -63.4 -39.6 -21.5 21.3 -27.6 87 92 A I H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.937 113.3 46.8 -65.7 -45.8 -23.1 18.3 -25.9 88 93 A I H X S+ 0 0 3 -4,-3.7 4,-2.5 1,-0.2 7,-0.4 0.933 112.4 49.5 -61.8 -46.0 -19.6 17.1 -24.7 89 94 A E H <>S+ 0 0 58 -4,-2.9 5,-3.4 -5,-0.3 6,-0.7 0.917 115.8 43.6 -59.6 -44.3 -18.7 20.6 -23.5 90 95 A D H ><5S+ 0 0 78 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.926 115.8 45.4 -67.6 -48.7 -22.0 21.0 -21.6 91 96 A R H 3<5S+ 0 0 92 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.859 115.8 46.3 -66.3 -36.7 -22.1 17.5 -20.0 92 97 A H T 3<5S- 0 0 21 -4,-2.5 -1,-0.3 -5,-0.3 3,-0.2 -0.026 117.8-106.9 -99.1 32.6 -18.4 17.5 -18.9 93 98 A G T < 5S- 0 0 72 -3,-1.1 -3,-0.2 1,-0.2 -4,-0.1 0.860 88.0 -20.7 47.8 54.8 -18.6 21.0 -17.4 94 99 A G S - 0 0 95 -2,-0.7 3,-1.4 1,-0.1 -1,-0.1 -0.332 18.7-115.5 -77.0 155.4 -13.7 22.5 -25.0 97 102 A P T 3 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.764 119.0 47.1 -59.7 -23.8 -13.4 21.2 -28.6 98 103 A S T 3 S+ 0 0 110 2,-0.1 -3,-0.0 173,-0.0 -2,-0.0 0.526 88.8 110.0 -96.6 -7.1 -9.7 22.1 -28.5 99 104 A D < - 0 0 61 -3,-1.4 2,-0.3 1,-0.1 -4,-0.0 -0.193 61.3-132.4 -66.0 161.6 -8.9 20.7 -25.1 100 105 A E - 0 0 109 238,-0.1 2,-0.5 172,-0.1 171,-0.2 -0.889 6.7-141.1-116.6 147.5 -6.7 17.6 -24.7 101 106 A H - 0 0 1 169,-3.1 2,-0.5 -2,-0.3 172,-0.2 -0.937 12.7-151.5-110.4 128.6 -7.4 14.5 -22.7 102 107 A K - 0 0 131 -2,-0.5 2,-0.4 169,-0.1 239,-0.1 -0.842 5.1-153.9-100.9 130.1 -4.4 12.9 -20.8 103 108 A T + 0 0 45 -2,-0.5 2,-0.3 237,-0.2 237,-0.1 -0.866 14.3 177.5-102.8 134.3 -4.5 9.1 -20.2 104 109 A D + 0 0 43 -2,-0.4 238,-0.8 1,-0.0 239,-0.0 -0.848 13.8 163.9-140.6 100.5 -2.5 7.7 -17.2 105 110 A L + 0 0 36 -2,-0.3 148,-0.1 236,-0.1 -1,-0.0 -0.154 41.5 117.2-107.3 36.9 -2.8 4.0 -16.5 106 111 A N > - 0 0 60 1,-0.1 3,-1.9 143,-0.0 4,-0.3 -0.899 48.3-163.6-109.9 104.8 0.3 4.0 -14.2 107 112 A P G > S+ 0 0 16 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.741 84.9 69.3 -55.9 -29.4 -0.7 2.9 -10.6 108 113 A D G 3 S+ 0 0 120 1,-0.3 134,-0.0 138,-0.1 138,-0.0 0.699 88.8 63.6 -66.9 -18.3 2.6 4.2 -9.2 109 114 A N G < S+ 0 0 73 -3,-1.9 2,-0.3 2,-0.1 -1,-0.3 0.612 83.7 96.7 -79.9 -11.8 1.5 7.8 -9.9 110 115 A L S < S- 0 0 4 -3,-1.6 2,-0.6 -4,-0.3 233,-0.1 -0.623 72.7-141.7 -78.3 134.5 -1.3 7.2 -7.4 111 116 A Q - 0 0 123 -2,-0.3 -2,-0.1 2,-0.0 -3,-0.0 -0.884 58.6 -40.0-103.6 118.3 -0.4 8.6 -4.0 112 117 A G S S+ 0 0 32 -2,-0.6 237,-0.1 1,-0.1 238,-0.1 -0.348 74.5 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-4,-0.2 2,-0.4 0.926 111.6 11.1 -51.9 -48.0 -17.6 -3.7 -26.7 230 235 A L E -EH 130 224D 4 -100,-2.0 -100,-2.3 -6,-0.2 2,-0.5 -0.994 58.0-168.2-137.0 141.8 -15.9 -4.2 -23.3 231 236 A R E -EH 129 223D 38 -8,-1.8 -8,-2.6 -2,-0.4 2,-0.5 -1.000 18.5-161.0-126.3 124.0 -16.7 -3.1 -19.8 232 237 A V E -EH 128 222D 1 -104,-2.7 -104,-2.0 -2,-0.5 2,-0.4 -0.941 9.9-179.0-116.2 124.4 -13.8 -3.7 -17.4 233 238 A I E -EH 127 221D 9 -12,-3.5 -12,-3.3 -2,-0.5 2,-0.4 -0.973 10.5-173.4-128.7 129.9 -14.2 -3.9 -13.6 234 239 A S E +EH 126 220D 0 -108,-2.8 -108,-2.4 -2,-0.4 2,-0.3 -0.960 26.6 148.6-115.6 132.6 -11.7 -4.4 -10.8 235 240 A M E +E 125 0D 28 -16,-2.6 2,-0.2 -2,-0.4 -110,-0.2 -0.951 15.7 159.2-155.3 174.8 -12.9 -4.8 -7.3 236 241 A Q E -E 124 0D 34 -112,-1.5 -112,-2.7 -2,-0.3 4,-0.1 -0.862 43.4 -77.6 170.5 159.0 -12.5 -6.3 -3.8 237 242 A K E S+E 123 0D 179 -114,-0.2 3,-0.4 -2,-0.2 -114,-0.3 -0.231 89.3 29.8 -68.1 159.6 -13.5 -6.0 -0.2 238 243 A G S S- 0 0 23 -116,-2.0 -2,-0.1 1,-0.2 -121,-0.1 -0.265 99.3 -71.7 85.1-174.5 -11.8 -3.4 2.0 239 244 A G S S+ 0 0 5 -123,-0.4 -123,-2.0 -125,-0.1 2,-1.6 -0.138 76.4 129.6-114.5 38.7 -10.3 -0.1 1.1 240 245 A N > + 0 0 44 -3,-0.4 4,-2.1 1,-0.2 3,-0.3 -0.546 21.3 161.6 -91.1 72.2 -7.2 -1.0 -0.8 241 246 A M H > S+ 0 0 0 -2,-1.6 4,-2.9 -128,-0.9 -127,-0.2 0.858 70.3 58.9 -59.8 -37.0 -7.9 1.2 -3.8 242 247 A K H > S+ 0 0 52 -129,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.918 106.9 46.6 -60.3 -43.4 -4.3 1.1 -4.9 243 248 A E H > S+ 0 0 72 -3,-0.3 4,-2.3 -130,-0.2 5,-0.2 0.932 113.4 48.9 -64.0 -44.8 -4.4 -2.6 -5.2 244 249 A V H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.892 113.7 46.4 -61.1 -41.2 -7.8 -2.5 -7.1 245 250 A F H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.823 109.8 54.5 -71.4 -31.9 -6.4 0.2 -9.4 246 251 A T H X S+ 0 0 48 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.931 110.4 44.8 -68.6 -43.2 -3.2 -1.8 -10.0 247 252 A R H X S+ 0 0 20 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.887 112.6 54.6 -65.8 -36.7 -5.1 -4.9 -11.0 248 253 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 -2,-0.2 0.960 112.2 41.7 -59.7 -53.9 -7.3 -2.6 -13.2 249 254 A C H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 116.3 48.5 -62.7 -44.5 -4.2 -1.2 -15.0 250 255 A T H X S+ 0 0 58 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.933 112.1 49.0 -62.7 -46.6 -2.5 -4.5 -15.3 251 256 A G H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.2 5,-0.2 0.923 112.8 46.8 -59.4 -46.0 -5.6 -6.2 -16.7 252 257 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.915 112.8 50.1 -62.4 -44.0 -6.2 -3.5 -19.2 253 258 A T H X S+ 0 0 65 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.934 111.3 47.3 -60.4 -48.8 -2.6 -3.5 -20.4 254 259 A Q H X S+ 0 0 65 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.922 112.9 48.8 -61.3 -44.0 -2.4 -7.2 -20.8 255 260 A I H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.930 112.0 49.2 -61.4 -45.5 -5.7 -7.4 -22.8 256 261 A E H X S+ 0 0 40 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.921 109.5 51.7 -60.0 -45.0 -4.5 -4.5 -25.0 257 262 A T H X S+ 0 0 81 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.904 108.6 51.9 -59.1 -41.3 -1.2 -6.2 -25.6 258 263 A L H X S+ 0 0 46 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.917 111.1 47.3 -61.8 -42.8 -3.1 -9.4 -26.6 259 264 A F H ><>S+ 0 0 2 -4,-2.3 5,-2.7 1,-0.2 3,-1.2 0.909 108.3 54.9 -64.8 -43.3 -5.2 -7.4 -29.0 260 265 A K H ><5S+ 0 0 116 -4,-2.8 3,-2.2 1,-0.3 -1,-0.2 0.846 98.3 62.3 -59.6 -35.5 -2.2 -5.6 -30.5 261 266 A S H 3<5S+ 0 0 88 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.786 108.0 44.1 -62.1 -25.4 -0.6 -8.9 -31.3 262 267 A K T <<5S- 0 0 87 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.147 127.3-103.1-103.7 17.4 -3.5 -9.6 -33.6 263 268 A D T < 5S+ 0 0 157 -3,-2.2 2,-0.3 1,-0.2 -3,-0.3 0.739 81.4 126.1 68.3 28.7 -3.3 -6.1 -35.0 264 269 A Y < + 0 0 82 -5,-2.7 2,-0.3 -8,-0.1 -1,-0.2 -0.825 32.5 178.8-114.5 155.2 -6.3 -4.7 -33.0 265 270 A E - 0 0 88 -132,-0.3 -132,-2.8 -2,-0.3 2,-0.2 -0.964 32.6 -94.1-149.6 163.8 -6.3 -1.7 -30.8 266 271 A F B -K 132 0E 8 -2,-0.3 2,-0.5 -134,-0.2 -134,-0.2 -0.502 46.4-104.0 -78.4 149.8 -8.7 0.4 -28.6 267 272 A M + 0 0 2 -136,-2.3 8,-1.7 8,-0.3 2,-0.3 -0.653 63.0 145.1 -74.1 125.5 -10.4 3.4 -30.1 268 273 A W E +L 274 0F 89 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4.8 -27.2 278 283 A C S > S- 0 0 26 -208,-0.2 3,-2.6 1,-0.1 4,-0.1 -0.768 77.0-136.7 -94.9 130.0 -22.4 7.5 -25.0 279 284 A P G > S+ 0 0 0 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.794 102.0 67.1 -49.6 -33.3 -20.7 10.9 -24.9 280 285 A S G 3 S+ 0 0 17 1,-0.3 5,-0.1 3,-0.0 57,-0.1 0.656 98.3 53.5 -66.6 -12.6 -20.9 11.0 -21.1 281 286 A N G < S+ 0 0 23 -3,-2.6 -1,-0.3 -5,-0.1 -152,-0.2 0.272 82.9 120.7-105.0 9.7 -18.5 8.1 -20.9 282 287 A L X + 0 0 0 -3,-1.5 2,-1.2 -4,-0.1 3,-1.1 -0.124 59.2 27.9 -71.5 169.6 -15.6 9.6 -22.9 283 288 A G B 3 S-mN 273 274F 0 -11,-2.6 -9,-2.5 -9,-0.6 54,-0.2 -0.681 140.0 -6.0 87.2 -96.4 -12.1 10.2 -21.8 284 289 A T T 3 S- 0 0 0 52,-1.8 -155,-0.4 -2,-1.2 -1,-0.3 0.652 73.7-152.4-103.7 -24.6 -11.4 7.7 -19.1 285 290 A G < + 0 0 0 -3,-1.1 2,-0.4 51,-0.3 -2,-0.1 0.778 48.8 153.7 54.2 23.5 -14.9 6.3 -19.0 286 291 A L - 0 0 0 50,-0.3 2,-0.5 -4,-0.2 -1,-0.2 -0.723 35.1-179.3 -97.8 132.0 -13.7 5.6 -15.5 287 292 A R E -D 127 0D 9 -160,-2.4 -160,-1.9 -2,-0.4 2,-0.5 -0.963 7.8-178.5-126.4 109.4 -15.8 5.2 -12.3 288 293 A A E +D 126 0D 0 -2,-0.5 45,-1.5 -162,-0.2 2,-0.3 -0.930 20.7 149.5-108.2 130.0 -13.8 4.5 -9.2 289 294 A G E -DI 125 332D 0 -164,-3.0 -164,-2.4 -2,-0.5 2,-0.3 -0.942 34.1-140.7-154.2 176.4 -15.8 4.1 -6.0 290 295 A V E -DI 124 331D 2 41,-2.2 41,-2.2 -2,-0.3 2,-0.8 -0.978 21.8-129.1-140.7 149.9 -16.3 2.6 -2.6 291 296 A H E -DI 123 330D 55 -168,-1.9 -169,-3.0 -2,-0.3 -168,-0.9 -0.925 46.9-177.4 -98.1 113.0 -19.2 1.2 -0.6 292 297 A I E -DI 121 329D 0 37,-2.8 37,-2.8 -2,-0.8 2,-0.6 -0.939 31.5-128.5-125.2 140.4 -18.7 3.2 2.6 293 298 A K E + I 0 328D 58 -173,-2.7 35,-0.2 -2,-0.4 3,-0.1 -0.726 39.4 152.8 -84.1 120.4 -20.4 3.3 6.0 294 299 A L > + 0 0 0 33,-3.1 4,-2.9 -2,-0.6 5,-0.2 -0.407 2.2 156.0-143.9 58.1 -21.3 6.9 6.8 295 300 A P H > S+ 0 0 38 0, 0.0 4,-0.5 0, 0.0 33,-0.1 0.863 80.5 38.5 -56.9 -36.5 -24.3 6.6 9.1 296 301 A N H >4 S+ 0 0 65 2,-0.2 3,-0.8 1,-0.1 4,-0.2 0.956 121.1 40.3 -79.6 -53.5 -23.6 10.0 10.7 297 302 A L H >4 S+ 0 0 1 1,-0.2 3,-1.8 2,-0.2 6,-0.2 0.864 108.3 63.9 -63.8 -35.5 -22.5 12.0 7.7 298 303 A G H 3< S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.804 106.7 43.4 -58.8 -29.7 -25.2 10.4 5.5 299 304 A K T << S+ 0 0 36 -3,-0.8 -1,-0.3 -4,-0.5 2,-0.2 0.347 93.2 112.9 -96.5 3.8 -27.8 12.0 7.7 300 305 A H S X S- 0 0 51 -3,-1.8 3,-1.5 -4,-0.2 4,-0.3 -0.538 72.7-126.8 -82.2 144.8 -26.0 15.3 7.8 301 306 A E T 3 S+ 0 0 161 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.847 107.4 44.7 -54.7 -41.4 -27.5 18.4 6.1 302 307 A K T 3> S+ 0 0 62 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.178 79.0 108.5 -95.0 19.3 -24.3 19.1 4.0 303 308 A F H <> S+ 0 0 6 -3,-1.5 4,-2.0 2,-0.2 5,-0.2 0.962 81.8 43.4 -60.1 -54.7 -23.6 15.6 2.9 304 309 A S H > S+ 0 0 55 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.2 0.895 115.1 51.3 -58.2 -41.3 -24.6 16.1 -0.8 305 310 A E H > S+ 0 0 82 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.883 106.7 52.6 -64.8 -39.9 -22.8 19.4 -0.9 306 311 A V H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.921 109.5 49.7 -62.3 -43.9 -19.6 18.0 0.5 307 312 A L H <>S+ 0 0 4 -4,-2.0 5,-3.2 1,-0.2 4,-0.3 0.932 109.2 52.6 -59.4 -46.1 -19.6 15.3 -2.2 308 313 A K H ><5S+ 0 0 106 -4,-2.1 3,-1.2 1,-0.2 -1,-0.2 0.897 108.9 49.1 -56.7 -44.2 -20.1 18.0 -4.8 309 314 A R H 3<5S+ 0 0 58 -4,-2.2 67,-2.9 1,-0.3 -1,-0.2 0.819 110.9 49.7 -66.2 -32.2 -17.2 20.0 -3.6 310 315 A L T 3<5S- 0 0 5 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.409 116.7-118.3 -85.4 1.9 -15.0 16.9 -3.6 311 316 A R T < 5S+ 0 0 68 -3,-1.2 23,-2.4 -4,-0.3 24,-0.6 0.872 72.0 132.5 61.3 39.9 -16.2 16.3 -7.2 312 317 A L E < -J 333 0D 8 -5,-3.2 2,-0.3 21,-0.3 21,-0.2 -0.762 45.8-145.0-117.4 162.9 -17.8 13.0 -6.0 313 318 A Q E -J 332 0D 75 19,-3.2 19,-2.0 -2,-0.3 2,-0.3 -0.902 11.0-154.5-126.0 156.3 -21.2 11.4 -6.5 314 319 A K E -J 331 0D 50 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.935 12.1-178.6-133.3 156.3 -23.3 9.2 -4.2 315 320 A R E -J 330 0D 85 15,-0.7 15,-3.0 -2,-0.3 2,-0.1 -0.978 29.6-120.4-147.6 140.9 -26.0 6.6 -4.5 316 321 A G E -J 329 0D 17 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.331 26.7-133.6 -76.7 169.6 -27.8 4.8 -1.7 317 322 A T - 0 0 29 11,-0.8 11,-0.2 2,-0.1 -1,-0.0 -0.866 7.4-152.7-122.3 158.9 -27.6 1.1 -1.4 318 323 A G + 0 0 31 -2,-0.3 207,-0.2 209,-0.1 206,-0.2 -0.064 56.3 104.2-123.8 36.4 -30.4 -1.4 -0.7 319 324 A G S > S- 0 0 30 205,-0.1 4,-1.2 9,-0.1 9,-0.1 -0.406 87.0 -93.4-107.1-175.2 -28.6 -4.3 1.0 320 325 A V H > S+ 0 0 86 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.755 117.2 71.0 -68.8 -23.2 -28.3 -5.7 4.5 321 326 A D H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.973 104.4 35.3 -57.0 -59.6 -25.2 -3.6 4.8 322 327 A T H >>S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.6 0.786 115.1 59.8 -67.9 -24.8 -26.9 -0.3 4.9 323 328 A A H <5S+ 0 0 15 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.925 112.2 37.1 -67.9 -43.8 -29.8 -1.9 6.9 324 329 A A H <5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.1 -1,-0.2 0.898 127.2 36.5 -74.0 -43.2 -27.5 -2.9 9.7 325 330 A V H <5S- 0 0 46 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.793 99.2-133.6 -81.1 -31.0 -25.3 0.2 9.6 326 331 A G T <5S+ 0 0 19 -4,-2.5 -3,-0.2 -5,-0.3 -4,-0.1 0.878 85.3 38.8 79.0 38.5 -28.1 2.6 8.8 327 332 A G < + 0 0 3 -5,-0.6 -33,-3.1 -6,-0.1 2,-0.5 0.339 58.4 158.2 148.3 71.4 -26.2 4.4 6.1 328 333 A V E -I 293 0D 2 -35,-0.2 -11,-0.8 -11,-0.2 2,-0.3 -0.953 22.6-169.3-112.0 130.2 -24.0 2.8 3.5 329 334 A F E -IJ 292 316D 22 -37,-2.8 -37,-2.8 -2,-0.5 2,-0.8 -0.890 27.4-130.3-125.6 155.0 -23.4 4.7 0.3 330 335 A D E -IJ 291 315D 16 -15,-3.0 -15,-0.7 -2,-0.3 2,-0.4 -0.874 36.2-177.2-101.0 102.1 -21.8 4.1 -3.1 331 336 A V E +IJ 290 314D 0 -41,-2.2 -41,-2.2 -2,-0.8 2,-0.3 -0.867 9.5 154.2-107.7 135.9 -19.5 7.0 -3.6 332 337 A S E -IJ 289 313D 0 -19,-2.0 -19,-3.2 -2,-0.4 -43,-0.2 -0.958 47.1 -75.3-152.0 166.9 -17.4 7.6 -6.7 333 338 A N E - J 0 312D 1 -45,-1.5 -21,-0.3 -2,-0.3 -22,-0.1 -0.395 30.6-155.0 -65.9 143.1 -15.7 10.3 -8.9 334 339 A A + 0 0 30 -23,-2.4 -22,-0.1 -2,-0.1 -1,-0.1 0.796 67.3 82.5 -89.2 -33.0 -18.1 12.4 -10.9 335 340 A D + 0 0 20 -24,-0.6 3,-0.1 1,-0.1 -243,-0.1 -0.296 39.2 163.7 -74.7 158.5 -15.7 13.4 -13.7 336 341 A R + 0 0 14 1,-0.3 -52,-1.8 -51,-0.1 2,-0.4 0.506 60.9 48.2-138.1 -43.1 -14.8 11.3 -16.7 337 342 A L S S+ 0 0 6 -54,-0.2 -1,-0.3 1,-0.2 -54,-0.1 -0.886 104.3 26.6-114.9 140.1 -13.1 13.6 -19.3 338 343 A G S S+ 0 0 34 -2,-0.4 2,-0.4 1,-0.3 -1,-0.2 0.472 105.2 83.5 92.7 -0.3 -10.3 16.1 -18.9 339 344 A F S S- 0 0 55 -3,-0.2 -1,-0.3 -237,-0.0 -55,-0.1 -0.990 79.8-121.6-133.1 140.2 -8.9 14.2 -15.9 340 345 A S > - 0 0 6 -2,-0.4 4,-2.1 -237,-0.1 5,-0.2 -0.335 29.0-108.2 -77.0 164.3 -6.5 11.2 -16.1 341 346 A E H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.926 121.1 52.6 -58.6 -43.0 -7.5 7.9 -14.5 342 347 A V H > S+ 0 0 10 -238,-0.8 4,-2.7 1,-0.2 -1,-0.2 0.931 109.4 47.1 -57.7 -49.3 -4.8 8.5 -11.9 343 348 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.841 112.9 51.3 -62.4 -33.8 -6.2 12.0 -11.0 344 349 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 2,-0.2 -2,-0.2 0.940 112.3 43.2 -69.0 -49.2 -9.7 10.5 -10.9 345 350 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.884 111.7 57.9 -63.8 -35.9 -8.8 7.7 -8.5 346 351 A Q H X S+ 0 0 30 -4,-2.7 4,-3.1 -5,-0.3 5,-0.3 0.899 102.5 52.5 -61.9 -40.9 -6.8 10.2 -6.5 347 352 A M H X S+ 0 0 19 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.839 110.1 48.2 -65.9 -30.7 -9.8 12.4 -6.0 348 353 A V H X S+ 0 0 0 -4,-1.3 4,-3.3 -3,-0.2 5,-0.3 0.934 112.9 48.2 -72.9 -45.7 -11.8 9.5 -4.6 349 354 A V H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.958 118.0 40.9 -56.9 -52.5 -8.9 8.4 -2.3 350 355 A D H X S+ 0 0 67 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.902 116.9 49.4 -63.3 -43.0 -8.5 12.0 -1.1 351 356 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 3,-0.3 0.940 110.3 49.0 -63.0 -49.1 -12.2 12.6 -0.9 352 357 A V H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.2 0.923 105.3 58.2 -57.6 -47.2 -13.0 9.4 1.0 353 358 A K H X S+ 0 0 85 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.885 109.8 44.8 -51.2 -41.0 -10.2 10.1 3.6 354 359 A L H X S+ 0 0 28 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.883 109.1 55.5 -71.9 -38.2 -11.9 13.4 4.4 355 360 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 108.4 49.7 -59.1 -40.4 -15.4 11.8 4.5 356 361 A I H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.916 107.6 52.4 -66.6 -43.1 -14.0 9.4 7.1 357 362 A E H X S+ 0 0 99 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.888 111.5 48.2 -60.4 -37.4 -12.5 12.2 9.2 358 363 A M H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.891 109.1 52.3 -69.8 -40.6 -15.9 13.8 9.2 359 364 A E H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.930 110.1 48.8 -60.7 -45.8 -17.7 10.6 10.1 360 365 A Q H X S+ 0 0 75 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.911 109.3 52.4 -61.7 -42.6 -15.4 10.1 13.1 361 366 A R H <>S+ 0 0 60 -4,-1.9 5,-2.6 1,-0.2 3,-0.3 0.951 110.4 48.5 -56.5 -50.1 -16.0 13.7 14.2 362 367 A L H ><5S+ 0 0 30 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.848 104.6 58.9 -59.3 -36.7 -19.7 13.2 14.1 363 368 A E H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.925 106.7 48.1 -58.4 -43.7 -19.4 10.0 16.1 364 369 A Q T 3<5S- 0 0 142 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.394 119.9-115.3 -76.6 2.7 -17.8 12.0 18.9 365 370 A G T < 5S+ 0 0 68 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.738 71.5 138.3 69.0 22.3 -20.6 14.5 18.5 366 371 A Q < - 0 0 109 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.402 56.8 -96.7 -93.6 172.7 -18.3 17.2 17.3 367 372 A A - 0 0 58 -2,-0.1 -1,-0.1 1,-0.1 -3,-0.0 -0.563 20.0-162.7 -89.2 154.9 -18.7 19.7 14.5 368 373 A I >> + 0 0 3 -2,-0.2 3,-1.4 1,-0.1 4,-0.9 0.330 61.6 103.9-118.5 5.5 -17.3 19.2 11.0 369 374 A D G >4 S+ 0 0 99 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.903 80.4 53.7 -54.5 -45.5 -17.5 22.8 9.7 370 375 A D G 34 S+ 0 0 113 1,-0.3 -1,-0.3 -3,-0.0 -2,-0.1 0.677 109.3 51.3 -64.9 -16.0 -13.7 23.3 10.1 371 376 A L G <4 S+ 0 0 34 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.607 80.3 120.8 -94.3 -15.4 -13.2 20.2 8.0 372 377 A M << - 0 0 34 -3,-1.1 2,-0.1 -4,-0.9 -3,-0.0 -0.215 57.7-138.2 -51.5 131.8 -15.5 21.3 5.2 373 378 A P - 0 0 24 0, 0.0 2,-0.3 0, 0.0 -64,-0.1 -0.483 12.1-115.7 -90.3 165.2 -13.6 21.4 1.9 374 379 A A - 0 0 81 -2,-0.1 -68,-0.0 1,-0.1 0, 0.0 -0.734 50.6 -77.0 -97.9 151.1 -13.8 24.2 -0.8 375 380 A Q 0 0 94 -2,-0.3 -65,-0.2 1,-0.2 -66,-0.1 -0.224 360.0 360.0 -49.0 124.2 -15.2 23.3 -4.2 376 381 A K 0 0 109 -67,-2.9 -1,-0.2 -68,-0.2 -66,-0.1 0.657 360.0 360.0 -90.9 360.0 -12.4 21.5 -6.1 377 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 378 6 B S > 0 0 134 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 138.9 -46.6 -24.7 -5.0 379 7 B H H > + 0 0 128 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 360.0 50.6 -71.7 -44.3 -48.8 -24.0 -2.0 380 8 B N H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 106.2 56.3 -63.7 -35.1 -51.8 -22.9 -4.0 381 9 B A H 4 S+ 0 0 41 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.920 107.4 49.6 -61.9 -42.7 -51.5 -25.9 -6.2 382 10 B L H >< S+ 0 0 84 -4,-1.3 3,-1.8 1,-0.2 4,-0.4 0.944 110.9 48.7 -60.2 -49.4 -51.8 -28.1 -3.1 383 11 B K H >< S+ 0 0 26 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.805 101.9 63.0 -61.9 -30.6 -54.9 -26.1 -1.9 384 12 B L T 3< S+ 0 0 60 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.636 90.2 70.1 -69.8 -11.0 -56.4 -26.5 -5.3 385 13 B R T < S+ 0 0 194 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.736 90.2 71.4 -76.1 -22.9 -56.4 -30.2 -4.6 386 14 B F S < S- 0 0 101 -3,-1.4 5,-0.1 -4,-0.4 0, 0.0 -0.707 102.1 -98.8 -91.3 143.3 -59.1 -29.7 -2.0 387 15 B P >> - 0 0 65 0, 0.0 3,-1.2 0, 0.0 4,-0.9 -0.263 35.1-111.9 -58.7 152.9 -62.6 -28.8 -3.3 388 16 B A H >> S+ 0 0 22 1,-0.3 4,-1.6 2,-0.2 3,-0.5 0.833 116.6 59.6 -55.3 -35.6 -63.3 -25.0 -3.2 389 17 B E H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.795 101.2 53.9 -65.2 -29.7 -65.9 -25.6 -0.4 390 18 B D H <4 S+ 0 0 99 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.738 114.7 39.9 -78.1 -21.8 -63.3 -27.1 1.9 391 19 B E H << S+ 0 0 53 -4,-0.9 -2,-0.2 -3,-0.5 -1,-0.2 0.632 87.3 115.5 -97.8 -18.8 -61.0 -24.1 1.5 392 20 B F S < S- 0 0 56 -4,-1.6 -3,-0.0 -5,-0.2 15,-0.0 -0.299 70.6-118.7 -55.8 124.8 -63.8 -21.5 1.6 393 21 B P - 0 0 18 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 -0.305 16.7-119.9 -67.5 149.3 -63.4 -19.3 4.8 394 22 B D + 0 0 114 1,-0.1 3,-0.2 2,-0.0 -2,-0.0 -0.809 40.1 164.1 -90.9 105.4 -66.1 -19.2 7.5 395 23 B L > + 0 0 26 -2,-0.9 3,-1.6 1,-0.2 -1,-0.1 0.044 31.8 121.6-111.0 26.4 -67.2 -15.6 7.6 396 24 B S T 3 S+ 0 0 103 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.767 82.2 36.8 -60.5 -29.3 -70.4 -16.2 9.5 397 25 B A T 3 S+ 0 0 83 -3,-0.2 2,-0.3 40,-0.0 -1,-0.3 0.137 97.8 113.5-110.4 21.1 -69.5 -13.9 12.4 398 26 B H < - 0 0 39 -3,-1.6 2,-0.3 5,-0.1 39,-0.2 -0.722 42.1-173.1-100.5 143.3 -67.6 -11.3 10.3 399 27 B N + 0 0 103 37,-3.8 44,-0.5 -2,-0.3 2,-0.3 -0.685 44.2 106.2-133.3 78.5 -68.5 -7.7 9.6 400 28 B N B > S-o 443 0G 0 -2,-0.3 4,-1.2 42,-0.1 44,-0.2 -0.946 77.8-102.1-145.8 162.4 -66.2 -6.2 7.0 401 29 B H H > S+ 0 0 11 42,-2.3 4,-0.8 -2,-0.3 3,-0.3 0.871 119.2 55.4 -56.8 -40.7 -66.6 -5.3 3.3 402 30 B M H >> S+ 0 0 0 42,-2.3 4,-2.9 1,-0.2 3,-1.3 0.930 105.4 53.4 -58.6 -45.4 -64.8 -8.4 2.1 403 31 B A H 34 S+ 0 0 24 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.805 103.5 57.1 -59.7 -32.0 -67.3 -10.6 4.0 404 32 B K H 3< S+ 0 0 125 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.689 118.9 30.7 -73.2 -18.7 -70.2 -8.9 2.4 405 33 B V H << S+ 0 0 26 -3,-1.3 2,-0.7 -4,-0.8 -2,-0.2 0.767 89.8 96.5-110.9 -36.1 -68.9 -9.8 -1.1 406 34 B L < + 0 0 10 -4,-2.9 -11,-0.1 -5,-0.2 54,-0.1 -0.449 50.1 176.7 -67.0 107.2 -67.0 -13.1 -0.9 407 35 B T > - 0 0 58 -2,-0.7 4,-2.2 1,-0.1 5,-0.2 -0.651 44.3-110.8-104.8 162.8 -69.4 -15.9 -1.9 408 36 B P H > S+ 0 0 61 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.905 120.3 50.6 -58.4 -38.4 -68.5 -19.6 -2.3 409 37 B E H > S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.922 109.7 46.9 -65.1 -47.9 -69.0 -19.2 -6.1 410 38 B L H > S+ 0 0 19 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.844 112.8 52.3 -64.0 -32.7 -66.8 -16.1 -6.4 411 39 B Y H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 108.3 48.8 -69.5 -44.0 -64.1 -17.9 -4.4 412 40 B A H < S+ 0 0 51 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.851 112.8 49.7 -64.7 -33.9 -64.2 -21.0 -6.5 413 41 B E H < S+ 0 0 111 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.848 121.8 30.3 -73.5 -36.1 -63.8 -18.8 -9.6 414 42 B L H >< S+ 0 0 2 -4,-1.7 3,-1.1 -5,-0.1 11,-0.4 0.567 93.2 88.7-102.6 -10.7 -60.9 -16.7 -8.4 415 43 B R T 3< S+ 0 0 24 -4,-2.2 11,-0.2 1,-0.2 -1,-0.1 0.664 88.0 51.6 -66.4 -16.3 -59.0 -19.1 -6.1 416 44 B A T 3 S+ 0 0 62 -4,-0.3 -1,-0.2 -3,-0.2 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