==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 17-JAN-12 3VNS . COMPND 2 MOLECULE: NRPS ADENYLATION PROTEIN CYTC1; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES SP.; . AUTHOR H.OKUMURA,M.UEKI,Y.SHIRO,H.OSADA . 498 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20343.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.7 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 . 4 0.8 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 0 1 3 0 2 2 2 2 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 6 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 2 0 3 3 1 0 0 1 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 . 1 1 0 0 2 0 0 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 7 A T 0 0 128 0, 0.0 6,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 144.5 -22.6 13.7 62.0 2 8 A S + 0 0 110 4,-0.0 3,-0.0 5,-0.0 5,-0.0 0.622 360.0 111.9 -83.8 -14.8 -24.3 15.0 58.8 3 9 A D > - 0 0 72 1,-0.2 4,-2.0 2,-0.1 3,-0.2 -0.454 55.4-158.4 -69.9 112.9 -21.1 16.7 57.6 4 10 A P H > S+ 0 0 36 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.836 91.7 55.2 -60.0 -32.9 -19.7 14.9 54.5 5 11 A I H 4 S+ 0 0 18 1,-0.2 170,-0.1 2,-0.2 9,-0.1 0.910 112.5 40.5 -68.2 -41.8 -16.3 16.4 55.1 6 12 A A H 4 S+ 0 0 66 -3,-0.2 -1,-0.2 1,-0.2 169,-0.0 0.819 116.7 52.0 -72.6 -29.7 -16.0 15.0 58.6 7 13 A R H < S+ 0 0 109 -4,-2.0 2,-0.3 7,-0.0 -2,-0.2 0.748 99.9 67.1 -83.8 -26.3 -17.6 11.7 57.6 8 14 A N < - 0 0 31 -4,-1.7 3,-0.1 -5,-0.2 -5,-0.0 -0.707 54.6-165.4-101.3 150.0 -15.4 10.8 54.6 9 15 A S S S+ 0 0 71 -2,-0.3 2,-0.3 1,-0.1 162,-0.1 0.377 72.7 43.5-116.1 2.9 -11.8 9.8 54.7 10 16 A D S > S- 0 0 8 161,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.978 78.8-119.2-143.3 160.3 -10.9 10.1 51.0 11 17 A L H > S+ 0 0 2 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.792 110.4 54.3 -68.9 -30.8 -11.6 12.6 48.2 12 18 A V H > S+ 0 0 5 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.946 110.4 44.8 -70.4 -48.3 -13.4 10.1 46.0 13 19 A S H > S+ 0 0 47 2,-0.2 4,-2.3 129,-0.2 -2,-0.2 0.908 114.9 50.8 -58.4 -44.2 -15.9 9.1 48.7 14 20 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.975 112.9 44.1 -57.4 -55.9 -16.3 12.8 49.6 15 21 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.934 112.4 52.4 -56.7 -48.8 -17.0 13.8 46.0 16 22 A R H X S+ 0 0 91 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.891 111.8 46.3 -57.0 -41.5 -19.3 10.8 45.3 17 23 A E H X S+ 0 0 42 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.931 112.6 48.6 -67.1 -46.8 -21.4 11.7 48.4 18 24 A V H X S+ 0 0 18 -4,-2.6 4,-1.2 -5,-0.2 -2,-0.2 0.941 117.0 44.1 -57.3 -45.4 -21.6 15.4 47.6 19 25 A A H < S+ 0 0 1 -4,-3.1 3,-0.4 -5,-0.2 -2,-0.2 0.936 113.2 48.7 -64.6 -48.5 -22.6 14.5 44.0 20 26 A A H < S+ 0 0 73 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.835 106.1 59.2 -64.9 -31.4 -25.1 11.8 44.9 21 27 A T H < S+ 0 0 108 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.866 130.6 3.2 -67.9 -38.4 -26.8 14.0 47.5 22 28 A A S >< S+ 0 0 28 -4,-1.2 3,-1.5 -3,-0.4 15,-0.3 -0.509 73.8 168.8-146.4 72.1 -27.8 16.8 45.0 23 29 A P T 3 S+ 0 0 56 0, 0.0 15,-3.1 0, 0.0 16,-0.5 0.607 70.5 62.2 -72.4 -12.6 -26.7 15.6 41.6 24 30 A E T 3 S+ 0 0 134 13,-0.2 3,-0.1 12,-0.2 -5,-0.0 0.628 80.0 103.4 -87.3 -13.7 -28.5 18.3 39.6 25 31 A R S < S- 0 0 95 -3,-1.5 12,-2.6 -6,-0.2 2,-0.4 -0.327 85.1 -99.8 -65.5 150.6 -26.5 21.2 41.2 26 32 A T E +A 36 0A 26 10,-0.3 10,-0.3 1,-0.2 3,-0.1 -0.602 41.5 171.4 -79.5 125.3 -23.8 22.7 39.1 27 33 A A E + 0 0 0 8,-2.7 187,-2.7 -2,-0.4 2,-0.4 0.744 69.3 14.9 -96.1 -32.8 -20.3 21.4 39.8 28 34 A L E -Ab 35 214A 0 7,-2.0 7,-3.6 185,-0.2 2,-0.4 -1.000 61.2-170.0-150.4 134.5 -18.4 23.0 37.0 29 35 A S E -Ab 34 215A 2 185,-2.3 187,-3.1 -2,-0.4 2,-0.4 -0.997 8.1-174.5-131.7 141.5 -19.1 25.7 34.4 30 36 A A E > S-Ab 33 216A 30 3,-2.7 3,-2.3 -2,-0.4 2,-0.2 -0.933 72.9 -51.6-132.3 107.1 -17.3 26.8 31.3 31 37 A E T 3 S- 0 0 68 185,-0.5 185,-0.1 -2,-0.4 0, 0.0 -0.474 124.4 -20.9 56.7-125.3 -18.9 29.9 29.8 32 38 A D T 3 S+ 0 0 130 -2,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.501 114.7 107.1 -87.6 -5.4 -22.6 29.0 29.5 33 39 A D E < -A 30 0A 64 -3,-2.3 -3,-2.7 2,-0.0 2,-0.5 -0.656 53.6-168.1 -79.7 115.9 -21.8 25.2 29.6 34 40 A R E -A 29 0A 103 -2,-0.6 2,-0.6 -5,-0.2 -5,-0.2 -0.920 8.4-162.4-111.3 126.3 -22.9 23.9 33.0 35 41 A I E -A 28 0A 2 -7,-3.6 -8,-2.7 -2,-0.5 -7,-2.0 -0.932 15.4-142.7-108.9 117.7 -21.9 20.5 34.2 36 42 A S E > -A 26 0A 28 -2,-0.6 4,-2.8 -10,-0.3 -10,-0.3 -0.289 24.5-111.0 -72.0 162.7 -23.9 19.1 37.1 37 43 A Y H > S+ 0 0 3 -12,-2.6 4,-2.6 -15,-0.3 5,-0.2 0.921 121.2 50.8 -56.9 -44.6 -22.4 17.0 39.9 38 44 A G H > S+ 0 0 27 -15,-3.1 4,-2.1 -13,-0.3 -1,-0.2 0.919 111.9 46.6 -60.3 -44.3 -24.3 14.0 38.6 39 45 A R H > S+ 0 0 85 -16,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.911 113.8 47.9 -63.0 -44.3 -23.0 14.6 35.1 40 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.873 109.8 53.0 -66.2 -39.3 -19.5 15.1 36.3 41 47 A D H X S+ 0 0 30 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.935 114.1 41.4 -62.6 -46.4 -19.6 12.0 38.5 42 48 A A H X S+ 0 0 18 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 113.8 53.2 -68.0 -43.5 -20.7 9.8 35.5 43 49 A W H X S+ 0 0 4 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.929 111.5 45.2 -55.6 -49.2 -18.3 11.5 33.1 44 50 A S H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.795 109.4 55.2 -72.8 -27.5 -15.3 10.8 35.4 45 51 A D H X S+ 0 0 33 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.900 109.2 49.1 -64.8 -41.3 -16.4 7.2 36.0 46 52 A A H X S+ 0 0 1 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.920 111.9 47.0 -64.7 -44.9 -16.4 6.8 32.2 47 53 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.880 107.3 57.8 -65.6 -36.8 -12.9 8.3 31.9 48 54 A A H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.903 103.2 54.0 -57.1 -41.3 -11.8 6.1 34.8 49 55 A R H X S+ 0 0 135 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.917 106.4 51.7 -60.5 -41.6 -12.8 3.1 32.8 50 56 A T H X S+ 0 0 43 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.880 110.2 49.1 -61.7 -39.1 -10.7 4.3 29.9 51 57 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-1.2 0.910 106.0 56.1 -66.4 -42.9 -7.7 4.7 32.3 52 58 A L H ><5S+ 0 0 60 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.906 104.4 54.5 -52.8 -42.1 -8.3 1.1 33.7 53 59 A A H 3<5S+ 0 0 85 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.698 103.0 56.3 -67.6 -20.2 -8.0 -0.1 30.1 54 60 A E T <<5S- 0 0 73 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.266 127.1-101.0 -93.1 9.4 -4.6 1.6 29.8 55 61 A G T < 5 + 0 0 40 -3,-1.9 -3,-0.2 1,-0.3 2,-0.1 0.473 66.2 158.8 88.1 2.9 -3.5 -0.3 32.8 56 62 A V < + 0 0 0 -5,-2.1 -1,-0.3 -6,-0.1 -2,-0.1 -0.421 15.9 171.1 -61.8 129.7 -3.9 2.4 35.4 57 63 A R > - 0 0 124 -2,-0.1 3,-2.4 26,-0.1 25,-0.1 -0.918 41.4 -65.2-140.1 161.2 -4.1 0.8 38.9 58 64 A P T 3 S+ 0 0 81 0, 0.0 26,-0.3 0, 0.0 25,-0.2 -0.166 121.5 25.0 -49.7 136.5 -4.2 1.8 42.5 59 65 A G T 3 S+ 0 0 57 24,-2.4 25,-0.2 1,-0.3 24,-0.1 0.252 92.7 131.7 88.9 -12.4 -0.9 3.4 43.6 60 66 A D < - 0 0 43 -3,-2.4 25,-2.8 22,-0.2 2,-0.5 -0.342 54.0-136.4 -67.6 152.4 -0.0 4.4 40.1 61 67 A R E -i 85 0B 56 45,-0.3 47,-2.1 23,-0.2 48,-0.5 -0.973 21.2-165.3-108.8 124.4 1.1 7.9 39.3 62 68 A V E -ij 86 109B 0 23,-2.9 25,-2.7 -2,-0.5 48,-0.2 -0.951 15.4-130.5-116.3 124.1 -0.6 9.3 36.2 63 69 A A E -ij 87 110B 0 46,-2.9 48,-2.5 -2,-0.5 2,-0.4 -0.419 17.8-159.9 -72.7 146.8 0.8 12.4 34.5 64 70 A L E +ij 88 111B 3 23,-2.2 25,-3.2 46,-0.2 2,-0.4 -0.976 15.0 172.9-132.4 116.7 -1.6 15.2 33.7 65 71 A R E + j 0 112B 42 46,-2.2 48,-2.3 -2,-0.4 2,-0.3 -0.787 35.9 110.3-128.0 89.4 -0.8 17.8 31.0 66 72 A M - 0 0 20 -2,-0.4 129,-0.4 46,-0.2 25,-0.2 -0.969 65.6-104.8-151.2 156.8 -3.8 20.0 30.4 67 73 A S - 0 0 38 -2,-0.3 2,-0.5 1,-0.1 5,-0.4 -0.588 58.6 -80.6 -82.6 153.8 -4.8 23.7 31.0 68 74 A P S S+ 0 0 34 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.393 85.6 118.3 -60.1 110.0 -7.3 24.3 33.8 69 75 A G S > S- 0 0 10 -2,-0.5 4,-1.7 147,-0.1 5,-0.2 -0.902 79.9 -76.5-158.6-178.7 -10.6 23.4 32.2 70 76 A A H > S+ 0 0 10 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.913 126.0 50.8 -57.0 -47.0 -13.5 21.0 32.4 71 77 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.859 107.3 53.6 -62.4 -36.7 -11.7 18.1 30.9 72 78 A A H > S+ 0 0 1 -5,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.874 109.7 48.0 -67.0 -36.6 -8.7 18.5 33.3 73 79 A I H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.886 111.0 50.4 -70.9 -39.1 -11.0 18.4 36.3 74 80 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 110.3 51.8 -61.3 -42.4 -12.7 15.3 34.9 75 81 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.903 107.4 51.6 -62.1 -45.2 -9.3 13.7 34.4 76 82 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.949 111.4 46.6 -55.2 -52.0 -8.3 14.4 38.0 77 83 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.886 112.1 51.8 -59.6 -39.6 -11.4 12.8 39.3 78 84 A A H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.929 110.2 47.5 -63.4 -48.1 -10.9 9.8 37.0 79 85 A I H ><>S+ 0 0 0 -4,-2.7 5,-2.1 1,-0.2 3,-0.5 0.941 114.0 47.3 -57.9 -48.4 -7.3 9.3 38.1 80 86 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.892 107.9 56.3 -61.2 -39.5 -8.3 9.5 41.8 81 87 A K H 3<5S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.786 101.0 57.8 -64.5 -28.3 -11.2 7.1 41.2 82 88 A C T <<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.5 -22,-0.2 0.436 122.4-109.3 -78.0 -1.1 -8.7 4.5 39.8 83 89 A G T < 5S+ 0 0 3 -3,-1.8 -24,-2.4 1,-0.3 -3,-0.2 0.655 81.6 124.7 80.3 17.7 -7.0 4.8 43.2 84 90 A A < - 0 0 1 -5,-2.1 2,-0.4 -26,-0.3 -1,-0.3 -0.506 59.0-121.4-105.4 171.5 -4.1 6.6 41.5 85 91 A A E -i 61 0B 2 -25,-2.8 -23,-2.9 -2,-0.2 2,-0.3 -0.883 22.7-127.4-112.9 145.1 -2.4 9.9 42.1 86 92 A Y E -ik 62 149B 2 62,-2.3 64,-2.2 -2,-0.4 -23,-0.2 -0.734 11.4-160.5 -95.1 144.0 -2.1 12.7 39.5 87 93 A V E -i 63 0B 0 -25,-2.7 -23,-2.2 -2,-0.3 2,-0.1 -0.864 17.7-148.1-121.3 93.7 1.2 14.3 38.5 88 94 A P E -i 64 0B 9 0, 0.0 2,-0.7 0, 0.0 64,-0.3 -0.406 3.0-153.0 -68.8 132.7 0.5 17.7 36.9 89 95 A V - 0 0 4 -25,-3.2 -23,-0.2 -2,-0.1 106,-0.1 -0.914 21.8-125.9-107.9 106.2 2.9 18.8 34.2 90 96 A D > - 0 0 15 -2,-0.7 3,-2.3 1,-0.2 -23,-0.1 -0.274 13.2-135.9 -52.3 125.2 3.0 22.6 34.0 91 97 A L T 3 S+ 0 0 74 1,-0.3 -1,-0.2 -25,-0.2 -24,-0.1 0.790 104.2 52.3 -55.1 -27.5 2.3 23.5 30.4 92 98 A R T 3 S+ 0 0 175 395,-0.0 -1,-0.3 2,-0.0 395,-0.1 0.185 80.2 128.6-101.2 17.3 5.1 26.1 30.6 93 99 A N < - 0 0 19 -3,-2.3 2,-0.1 1,-0.1 -4,-0.0 -0.438 68.8-109.2 -62.4 139.8 7.7 23.7 31.9 94 100 A P >> - 0 0 76 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.477 36.2-110.2 -59.2 149.2 11.0 23.7 30.0 95 101 A V H 3> S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.802 117.9 55.7 -56.0 -31.2 11.1 20.3 28.2 96 102 A S H 3> S+ 0 0 88 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.884 105.5 50.3 -70.7 -38.8 13.9 19.1 30.5 97 103 A R H <> S+ 0 0 38 -3,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.896 111.2 48.4 -66.5 -42.0 11.9 19.7 33.7 98 104 A S H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.923 109.6 53.4 -63.2 -44.3 8.9 17.8 32.3 99 105 A D H X S+ 0 0 59 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.880 111.6 45.7 -55.9 -42.4 11.2 15.0 31.3 100 106 A F H X S+ 0 0 54 -4,-1.9 4,-4.1 2,-0.2 5,-0.3 0.936 110.0 52.6 -69.3 -47.3 12.6 14.8 34.8 101 107 A I H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 6,-0.3 0.911 111.9 46.4 -56.2 -44.6 9.2 15.0 36.5 102 108 A L H X>S+ 0 0 7 -4,-2.4 5,-1.3 2,-0.2 4,-0.7 0.922 118.0 42.6 -64.2 -44.5 7.9 12.1 34.4 103 109 A A H ><5S+ 0 0 74 -4,-2.0 3,-1.0 -5,-0.2 -2,-0.2 0.966 115.9 47.8 -63.8 -53.5 11.0 10.0 35.1 104 110 A D H 3<5S+ 0 0 18 -4,-4.1 -2,-0.2 1,-0.3 -3,-0.2 0.861 114.9 44.9 -57.4 -40.9 11.2 10.9 38.8 105 111 A S H 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.582 101.8-131.0 -82.6 -11.4 7.6 10.1 39.5 106 112 A G T <<5 - 0 0 48 -3,-1.0 -45,-0.3 -4,-0.7 -3,-0.2 0.812 31.8-165.4 62.8 28.7 7.6 6.9 37.5 107 113 A A < - 0 0 14 -5,-1.3 -45,-0.2 -6,-0.3 -1,-0.2 -0.218 12.6-167.4 -46.8 128.9 4.4 8.1 35.7 108 114 A S + 0 0 30 -47,-2.1 2,-0.3 1,-0.2 -46,-0.2 0.387 67.3 9.6-106.5 0.9 2.9 5.1 33.9 109 115 A A E -j 62 0B 3 -48,-0.5 -46,-2.9 12,-0.1 2,-0.4 -0.960 64.2-140.7-168.2 160.9 0.5 7.0 31.8 110 116 A L E -jl 63 123B 1 12,-2.5 14,-2.7 -2,-0.3 2,-0.4 -0.994 5.0-157.4-133.2 139.8 -0.4 10.5 30.8 111 117 A I E +jl 64 124B 0 -48,-2.5 -46,-2.2 -2,-0.4 2,-0.4 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< - 0 0 29 -3,-1.5 2,-0.3 -28,-0.1 -1,-0.3 -0.944 52.5-160.2-138.1 161.9 3.9 56.5 42.9 454 471 A A - 0 0 90 -2,-0.3 2,-0.4 -3,-0.1 -3,-0.0 -0.943 10.5-176.1-145.0 118.0 7.6 57.2 42.1 455 472 A T - 0 0 10 -2,-0.3 2,-0.1 -30,-0.1 -6,-0.1 -0.967 17.2-138.4-120.8 131.2 10.3 56.8 44.7 456 473 A T > - 0 0 64 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.416 23.9-113.9 -85.6 161.2 13.9 57.7 44.1 457 474 A A H > S+ 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.908 119.7 55.5 -55.7 -42.2 17.0 55.8 45.1 458 475 A R H > S+ 0 0 154 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 107.1 48.0 -58.2 -44.6 17.8 58.7 47.4 459 476 A E H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 112.4 48.8 -65.7 -37.9 14.5 58.5 49.1 460 477 A L H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.898 109.1 52.6 -69.3 -40.0 14.8 54.7 49.6 461 478 A R H X S+ 0 0 75 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.921 110.1 49.3 -56.9 -44.8 18.4 55.2 51.0 462 479 A N H X S+ 0 0 65 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.860 110.1 51.0 -64.7 -37.0 16.9 57.7 53.5 463 480 A H H >< S+ 0 0 37 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.959 112.1 45.8 -61.7 -52.0 14.2 55.3 54.5 464 481 A I H >X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 3,-1.7 0.850 100.6 68.5 -63.5 -35.4 16.7 52.5 55.1 465 482 A K H 3< S+ 0 0 116 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.805 99.5 51.1 -50.8 -33.5 19.0 54.8 57.1 466 483 A T T << S+ 0 0 111 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.664 118.0 36.1 -80.3 -15.8 16.4 55.0 59.8 467 484 A L T <4 S+ 0 0 72 -3,-1.7 -2,-0.2 -4,-0.4 -1,-0.1 0.702 112.4 37.5-111.8 -27.7 16.0 51.2 60.1 468 485 A L S < S- 0 0 30 -4,-2.2 -1,-0.2 -49,-0.0 2,-0.0 -0.926 77.0-100.6-136.3 153.2 19.3 49.5 59.6 469 486 A P > - 0 0 61 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.361 47.4-104.9 -66.2 154.1 23.1 49.7 60.3 470 487 A A G > S+ 0 0 77 1,-0.3 3,-1.9 2,-0.2 -5,-0.0 0.768 115.7 66.3 -57.3 -32.1 25.2 51.0 57.4 471 488 A Y G 3 S+ 0 0 93 1,-0.3 -1,-0.3 3,-0.0 -62,-0.1 0.643 101.6 51.7 -66.7 -10.0 26.6 47.6 56.5 472 489 A M G < S+ 0 0 14 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.253 83.6 116.3-106.6 11.5 23.1 46.5 55.5 473 490 A H < - 0 0 33 -3,-1.9 -30,-0.3 -4,-0.1 -12,-0.1 -0.702 69.3-121.8 -86.2 121.0 22.4 49.4 53.2 474 491 A P - 0 0 0 0, 0.0 -30,-0.2 0, 0.0 3,-0.1 -0.369 14.6-147.1 -52.5 136.0 21.9 48.6 49.5 475 492 A A S S+ 0 0 23 -32,-3.4 2,-0.3 1,-0.2 -31,-0.2 0.695 78.2 18.1 -82.2 -21.9 24.5 50.5 47.5 476 493 A R E -v 444 0F 147 -33,-0.6 -31,-2.5 2,-0.0 2,-0.4 -0.992 65.8-145.9-146.8 153.6 22.1 51.0 44.5 477 494 A Y E -v 445 0F 20 -2,-0.3 -31,-0.2 -33,-0.2 -20,-0.1 -0.943 8.0-168.0-121.2 144.5 18.4 50.8 43.8 478 495 A L E -v 446 0F 44 -33,-2.3 -31,-2.0 -2,-0.4 2,-0.3 -0.914 12.3-148.3-134.8 106.9 16.7 49.7 40.6 479 496 A P E -v 447 0F 77 0, 0.0 -31,-0.2 0, 0.0 3,-0.1 -0.572 19.7-172.0 -72.2 131.9 13.0 50.3 40.0 480 497 A L - 0 0 31 -33,-2.6 -31,-0.4 -2,-0.3 3,-0.2 -0.944 35.9-125.9-124.5 149.2 11.3 47.6 37.9 481 498 A P S S- 0 0 135 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.894 97.0 -27.9 -54.8 -39.1 7.8 47.5 36.4 482 499 A G S S- 0 0 37 -35,-0.1 -35,-0.1 -3,-0.1 3,-0.0 -0.937 79.6 -89.0-165.3 162.4 7.6 44.2 38.2 483 500 A L - 0 0 7 -2,-0.3 2,-0.1 -3,-0.2 10,-0.1 -0.553 47.9-105.2 -78.8 147.3 10.1 41.6 39.3 484 501 A P - 0 0 35 0, 0.0 8,-3.7 0, 0.0 2,-0.3 -0.456 43.5-158.2 -69.3 146.7 10.9 38.8 36.9 485 502 A R B -W 491 0G 79 6,-0.3 6,-0.2 4,-0.1 2,-0.1 -0.949 15.7-128.4-134.8 148.4 9.3 35.5 37.8 486 503 A T - 0 0 62 4,-1.5 6,-0.0 -2,-0.3 0, 0.0 -0.290 34.5-112.9 -75.4 169.9 9.7 31.7 37.3 487 504 A V S S+ 0 0 33 1,-0.2 -1,-0.1 -395,-0.1 -394,-0.1 0.874 132.6 41.1 -69.7 -38.4 6.7 29.6 36.1 488 505 A N S S+ 0 0 51 -398,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.793 115.9 138.0 -67.4 -30.0 7.1 28.1 39.6 489 506 A G + 0 0 21 1,-0.2 2,-0.2 0, 0.0 -4,-0.1 -0.207 45.4 156.0 -66.5 157.2 7.6 31.7 40.5 490 507 A K S S- 0 0 66 -219,-0.1 -4,-1.5 -6,-0.1 -1,-0.2 0.463 90.9 -13.8 68.3 146.7 7.0 33.8 42.4 491 508 A V B -W 485 0G 40 -6,-0.2 2,-1.0 -2,-0.2 -6,-0.3 -0.241 67.5-132.5 -52.9 139.5 9.9 36.2 42.1 492 509 A D > - 0 0 35 -8,-3.7 4,-1.7 1,-0.2 3,-0.4 -0.800 20.0-170.8 -98.4 90.8 12.9 34.9 40.1 493 510 A R H > S+ 0 0 82 -2,-1.0 4,-0.9 1,-0.2 -1,-0.2 0.769 84.5 49.1 -55.6 -28.3 15.8 35.8 42.4 494 511 A A H > S+ 0 0 59 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.869 106.5 53.3 -80.9 -38.1 18.3 34.8 39.7 495 512 A A H > S+ 0 0 8 -3,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.810 101.7 62.2 -65.4 -30.6 16.7 36.7 36.8 496 513 A V H >X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 3,-0.6 0.947 98.3 54.4 -60.2 -49.6 16.8 39.8 39.0 497 514 A A H 3< S+ 0 0 50 -4,-0.9 3,-0.5 1,-0.3 -1,-0.2 0.858 107.5 52.6 -51.4 -37.2 20.6 39.7 39.1 498 515 A R H 3< S+ 0 0 179 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.845 98.0 63.2 -70.0 -33.4 20.5 39.6 35.3 499 516 A S H << 0 0 65 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.778 360.0 360.0 -62.7 -25.9 18.3 42.7 35.1 500 517 A W < 0 0 67 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.830 360.0 360.0 -72.4 360.0 21.2 44.6 36.7 501 ! 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 0.0 502 602 A X 0 0 9 0, 0.0 -202,-0.5 0, 0.0 -304,-0.2 0.000 360.0 360.0 360.0 360.0 1.4 27.7 48.8