==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 15-MAY-07 2PY6 . COMPND 2 MOLECULE: METHYLTRANSFERASE FKBM; . SOURCE 2 ORGANISM_SCIENTIFIC: METHYLOBACILLUS FLAGELLATUS KT; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 375 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16893.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 262 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 5.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 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 . 23 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 3 2 0 1 3 0 1 2 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 3 3 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 . 0 1 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 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 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 14 A D > 0 0 152 0, 0.0 3,-2.3 0, 0.0 7,-0.2 0.000 360.0 360.0 360.0 91.9 15.4 37.8 62.6 2 15 A P G > + 0 0 39 0, 0.0 3,-0.5 0, 0.0 176,-0.1 0.577 360.0 67.3 -74.9 -5.2 11.8 37.2 61.4 3 16 A L G 3 S+ 0 0 152 1,-0.2 3,-0.1 2,-0.1 171,-0.0 0.446 106.7 40.1 -90.2 2.1 11.0 40.8 62.3 4 17 A A G <> + 0 0 21 -3,-2.3 4,-1.9 2,-0.1 3,-0.2 -0.270 66.5 134.6-141.5 42.3 13.3 42.1 59.5 5 18 A X H <> S+ 0 0 6 -3,-0.5 4,-1.5 1,-0.2 -2,-0.1 0.679 70.2 64.0 -69.2 -18.3 12.8 39.7 56.6 6 19 A N H > S+ 0 0 75 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.909 105.7 45.6 -66.8 -43.5 12.6 42.6 54.2 7 20 A D H > S+ 0 0 101 -3,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.937 112.4 48.2 -66.0 -48.3 16.2 43.4 55.1 8 21 A S H X S+ 0 0 34 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.841 107.5 59.8 -60.9 -33.2 17.4 39.8 54.8 9 22 A F H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.937 108.4 41.6 -58.8 -50.3 15.5 39.6 51.4 10 23 A L H X S+ 0 0 61 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.902 115.6 49.9 -67.6 -43.4 17.5 42.4 49.9 11 24 A A H X S+ 0 0 63 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.878 112.0 48.4 -61.9 -41.9 20.8 41.2 51.4 12 25 A A H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.903 110.8 50.7 -66.8 -39.7 20.2 37.6 50.1 13 26 A A H X S+ 0 0 1 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.890 112.2 46.6 -66.9 -38.1 19.3 38.9 46.6 14 27 A D H X S+ 0 0 114 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.917 112.4 50.5 -68.7 -40.1 22.5 41.0 46.4 15 28 A A H >X S+ 0 0 32 -4,-2.2 4,-0.8 1,-0.2 3,-0.6 0.944 112.9 45.4 -62.9 -50.7 24.6 38.1 47.7 16 29 A L H 3< S+ 0 0 16 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.834 103.6 63.7 -59.9 -38.8 23.2 35.6 45.2 17 30 A A H 3< S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.854 115.6 31.0 -56.2 -38.0 23.5 38.0 42.2 18 31 A V H << S+ 0 0 126 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.431 126.1 43.2-101.3 -3.4 27.3 38.0 42.7 19 32 A D >< - 0 0 46 -4,-0.8 3,-2.1 -3,-0.4 -1,-0.2 -0.805 55.4-169.9-145.6 103.1 27.8 34.4 44.0 20 33 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.722 92.6 58.5 -64.2 -18.1 25.9 31.5 42.4 21 34 A X T > S+ 0 0 41 2,-0.1 3,-2.4 3,-0.0 8,-0.1 0.338 76.1 135.7 -91.4 8.2 27.1 29.3 45.3 22 35 A F T < S+ 0 0 51 -3,-2.1 -6,-0.0 1,-0.3 112,-0.0 -0.283 70.6 25.1 -53.8 134.6 25.4 31.7 47.8 23 36 A G T 3 S+ 0 0 26 1,-0.3 -1,-0.3 111,-0.0 112,-0.1 0.413 93.2 119.4 89.3 -5.8 23.5 29.6 50.4 24 37 A I S < S- 0 0 10 -3,-2.4 -1,-0.3 110,-0.1 5,-0.1 -0.817 74.7-104.9 -94.7 130.2 25.8 26.5 49.9 25 38 A P >> - 0 0 36 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.323 26.3-126.1 -55.9 134.1 27.7 25.4 53.0 26 39 A A H 3> S+ 0 0 77 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.810 107.4 55.0 -49.8 -41.7 31.4 26.3 52.8 27 40 A N H 3> S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.839 110.7 45.9 -67.6 -31.1 32.7 22.8 53.5 28 41 A V H <> S+ 0 0 0 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.892 109.6 54.6 -74.8 -43.2 30.6 21.5 50.5 29 42 A R H X S+ 0 0 83 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.895 107.3 51.0 -56.0 -42.0 31.7 24.3 48.3 30 43 A E H X S+ 0 0 114 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.853 111.2 47.3 -68.1 -33.6 35.3 23.5 49.0 31 44 A V H X S+ 0 0 2 -4,-1.2 4,-3.6 2,-0.2 5,-0.5 0.969 113.7 47.2 -66.9 -51.7 34.8 19.8 48.1 32 45 A I H X S+ 0 0 26 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.894 113.1 50.0 -56.5 -42.1 32.9 20.7 44.9 33 46 A A H < S+ 0 0 88 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.848 116.7 41.8 -62.2 -38.1 35.7 23.2 44.0 34 47 A R H < S+ 0 0 95 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.898 133.1 17.2 -76.7 -44.4 38.3 20.5 44.6 35 48 A R H >< S- 0 0 129 -4,-3.6 3,-2.2 1,-0.2 -3,-0.2 0.597 76.0-174.4-110.8 -14.3 36.6 17.5 42.9 36 49 A G G >< S- 0 0 33 -4,-2.7 3,-1.2 -5,-0.5 -1,-0.2 -0.323 78.0 -3.6 54.5-122.7 33.8 18.8 40.7 37 50 A N G 3 S+ 0 0 123 1,-0.3 -1,-0.3 25,-0.1 -5,-0.1 0.353 126.1 71.0 -87.5 7.4 31.8 15.9 39.3 38 51 A A G < S+ 0 0 56 -3,-2.2 -1,-0.3 24,-0.2 -2,-0.2 0.249 70.3 127.5 -93.6 2.5 34.1 13.3 40.9 39 52 A T < - 0 0 0 -3,-1.2 24,-2.6 22,-0.3 2,-0.4 -0.478 60.6-133.8 -59.5 127.8 32.5 14.4 44.2 40 53 A R E -ab 63 100A 38 59,-1.7 61,-2.7 22,-0.2 2,-0.4 -0.744 26.0-166.7 -86.5 133.1 31.2 11.3 46.0 41 54 A L E -ab 64 101A 0 22,-2.5 24,-2.6 -2,-0.4 25,-0.8 -0.960 15.0-160.8-126.1 142.4 27.7 11.7 47.4 42 55 A V E -ab 66 102A 0 59,-2.4 61,-3.0 -2,-0.4 2,-0.5 -0.985 18.1-139.0-117.3 128.5 25.5 9.6 49.8 43 56 A I E -ab 67 103A 0 23,-2.6 25,-2.6 -2,-0.4 2,-0.6 -0.769 12.3-149.4 -87.2 125.1 21.8 10.1 49.8 44 57 A L E +ab 68 104A 0 59,-3.2 61,-2.1 -2,-0.5 62,-0.3 -0.881 66.4 13.9 -98.6 120.0 20.3 10.1 53.4 45 58 A G - 0 0 8 23,-1.8 23,-0.1 -2,-0.6 3,-0.1 0.194 57.8-140.4 94.7 144.6 16.8 8.7 53.4 46 59 A T S S+ 0 0 13 1,-0.1 -1,-0.1 21,-0.1 23,-0.1 0.282 94.0 60.5-118.7 9.8 14.9 6.7 50.7 47 60 A K S S+ 0 0 123 3,-0.0 -1,-0.1 4,-0.0 -2,-0.1 0.026 94.4 67.5-124.9 24.7 11.4 8.4 51.1 48 61 A G S > S- 0 0 25 -3,-0.1 3,-0.5 58,-0.1 58,-0.2 0.015 108.3 -50.8-120.0-139.8 12.2 12.0 50.3 49 62 A F T >> S+ 0 0 23 56,-1.2 3,-1.3 1,-0.2 4,-0.7 0.251 97.6 106.4 -86.3 11.1 13.3 14.2 47.3 50 63 A G H 3> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.732 70.8 63.9 -63.3 -22.5 16.2 11.7 46.4 51 64 A A H <> S+ 0 0 20 -3,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.779 95.4 59.5 -69.7 -30.1 14.2 10.4 43.5 52 65 A H H <4 S+ 0 0 54 -3,-1.3 -1,-0.2 2,-0.2 -2,-0.2 0.796 107.1 45.0 -69.8 -31.5 14.5 13.9 41.9 53 66 A L H < S+ 0 0 2 -4,-0.7 3,-0.5 -3,-0.2 -2,-0.2 0.855 115.5 46.9 -76.4 -39.8 18.3 13.7 41.9 54 67 A X H < S+ 0 0 14 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.1 0.841 112.6 48.2 -71.4 -35.1 18.4 10.1 40.5 55 68 A N S < S+ 0 0 110 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.460 84.9 139.3 -82.4 -2.0 15.8 10.8 37.7 56 69 A V - 0 0 15 -3,-0.5 2,-0.2 -4,-0.1 86,-0.2 -0.085 60.7-107.9 -47.6 136.6 17.7 14.0 36.8 57 70 A R S S+ 0 0 47 84,-1.8 -1,-0.1 81,-0.1 -2,-0.0 -0.510 81.5 4.0 -72.2 134.4 18.1 14.6 33.0 58 71 A H S S- 0 0 153 -2,-0.2 83,-0.0 2,-0.0 0, 0.0 0.114 112.0 -26.4 74.8 170.1 21.6 14.0 31.6 59 72 A E S S- 0 0 101 1,-0.1 -2,-0.0 2,-0.1 0, 0.0 -0.173 73.6-108.7 -52.2 136.7 24.8 12.7 33.3 60 73 A R - 0 0 107 1,-0.1 -1,-0.1 2,-0.1 -6,-0.0 -0.272 15.1-132.4 -64.6 156.6 24.9 13.4 37.1 61 74 A P S S+ 0 0 25 0, 0.0 -22,-0.3 0, 0.0 2,-0.3 0.049 86.5 28.8-100.0 24.4 27.4 16.0 38.3 62 75 A C S S- 0 0 7 -24,-0.1 2,-0.9 -21,-0.0 -22,-0.2 -0.950 88.8 -97.9-169.4 162.8 28.7 13.7 41.1 63 76 A E E -a 40 0A 114 -24,-2.6 -22,-2.5 -2,-0.3 2,-0.6 -0.819 34.0-154.6 -95.6 103.2 29.2 10.0 41.8 64 77 A V E +a 41 0A 20 -2,-0.9 -22,-0.2 -24,-0.2 3,-0.1 -0.694 17.9 175.5 -79.9 117.6 26.3 8.9 44.0 65 78 A I E - 0 0 47 -24,-2.6 2,-0.3 -2,-0.6 -23,-0.2 0.683 50.5 -17.6-100.5 -21.1 27.5 5.8 46.0 66 79 A A E -a 42 0A 3 -25,-0.8 -23,-2.6 16,-0.2 2,-0.4 -0.986 47.5-124.7-173.2 168.1 24.7 4.8 48.4 67 80 A A E -ac 43 84A 0 16,-2.3 18,-2.8 -2,-0.3 2,-0.5 -0.983 26.7-133.4-129.2 140.2 21.5 5.6 50.2 68 81 A V E +ac 44 85A 0 -25,-2.6 -23,-1.8 -2,-0.4 2,-0.2 -0.822 37.8 147.6 -98.8 127.7 21.2 5.3 53.9 69 82 A D >> - 0 0 21 16,-2.8 3,-1.6 -2,-0.5 4,-1.3 -0.706 26.7-166.5-160.7 103.9 18.2 3.6 55.4 70 83 A D T 34 S+ 0 0 65 1,-0.3 16,-0.1 -2,-0.2 4,-0.1 0.635 92.4 55.8 -64.3 -17.9 18.5 1.7 58.7 71 84 A F T 34 S+ 0 0 192 1,-0.1 -1,-0.3 2,-0.1 15,-0.1 0.424 119.6 28.4 -94.7 -3.1 15.1 0.1 58.2 72 85 A R T X4 S+ 0 0 71 -3,-1.6 3,-1.9 13,-0.2 5,-0.4 0.426 80.7 106.7-134.6 -2.4 16.0 -1.4 54.8 73 86 A Y T 3< S+ 0 0 93 -4,-1.3 13,-0.1 1,-0.3 11,-0.1 0.541 85.2 48.0 -69.3 -6.6 19.8 -2.1 54.6 74 87 A H T 3 S+ 0 0 153 1,-0.1 -1,-0.3 11,-0.1 -4,-0.1 0.407 87.3 88.6-104.6 -3.0 19.5 -5.9 54.9 75 88 A S S < S- 0 0 59 -3,-1.9 -2,-0.1 1,-0.1 -1,-0.1 0.728 88.6-129.7 -68.6 -24.8 16.8 -6.3 52.2 76 89 A G + 0 0 72 1,-0.3 2,-0.2 -4,-0.3 -1,-0.1 0.394 64.6 134.5 85.3 -3.7 19.1 -6.6 49.2 77 90 A E - 0 0 110 -5,-0.4 7,-0.5 1,-0.0 -1,-0.3 -0.495 48.6-138.6 -79.9 148.6 17.0 -3.9 47.4 78 91 A L E -E 83 0B 107 -2,-0.2 2,-0.6 5,-0.1 -1,-0.0 -0.712 6.6-135.6-103.2 153.9 18.7 -1.1 45.6 79 92 A Y E > S-E 82 0B 18 3,-2.6 3,-1.5 -2,-0.3 -2,-0.0 -0.912 89.2 -29.5-113.3 100.8 17.6 2.6 45.7 80 93 A Y T 3 S- 0 0 113 -2,-0.6 -1,-0.2 1,-0.3 0, 0.0 0.935 129.0 -46.1 53.0 48.2 17.8 3.8 42.0 81 94 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.360 116.9 122.8 79.0 -4.0 20.6 1.3 41.5 82 95 A L E < -E 79 0B 12 -3,-1.5 -3,-2.6 1,-0.1 -1,-0.2 -0.665 67.5-111.1 -92.1 144.2 22.3 2.3 44.7 83 96 A P E -E 78 0B 65 0, 0.0 -16,-2.3 0, 0.0 2,-0.6 -0.378 28.7-129.7 -65.3 148.2 23.2 0.0 47.7 84 97 A I E -c 67 0A 14 -7,-0.5 2,-0.2 -18,-0.2 -16,-0.2 -0.929 34.7-179.5-102.0 122.2 21.1 0.7 50.8 85 98 A I E -c 68 0A 21 -18,-2.8 -16,-2.8 -2,-0.6 -13,-0.2 -0.708 27.4-103.5-119.9 165.2 23.4 1.1 53.9 86 99 A S > - 0 0 13 -2,-0.2 4,-1.8 -18,-0.2 5,-0.1 -0.453 32.9-112.8 -81.9 162.5 23.0 1.7 57.6 87 100 A T H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.873 119.8 56.2 -63.4 -37.4 23.8 5.1 59.2 88 101 A D H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.867 105.9 50.5 -60.5 -37.8 26.7 3.4 61.0 89 102 A R H > S+ 0 0 133 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.889 109.7 51.7 -66.6 -37.4 28.1 2.3 57.6 90 103 A F H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.926 107.7 49.1 -64.0 -50.4 27.8 5.9 56.3 91 104 A T H X S+ 0 0 17 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.895 111.9 52.1 -59.9 -35.7 29.6 7.6 59.2 92 105 A E H X S+ 0 0 35 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.967 111.4 44.7 -64.7 -52.2 32.4 5.0 58.7 93 106 A L H >< S+ 0 0 43 -4,-2.7 3,-0.6 1,-0.2 4,-0.3 0.877 113.3 52.6 -56.9 -39.0 32.7 5.8 54.9 94 107 A A H >< S+ 0 0 15 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.903 101.5 58.0 -66.9 -41.8 32.6 9.5 55.7 95 108 A T H 3< S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.688 114.0 40.6 -59.8 -23.1 35.4 9.3 58.3 96 109 A H T << S+ 0 0 161 -4,-0.8 2,-0.4 -3,-0.6 -1,-0.2 0.328 107.8 64.1-109.2 5.9 37.6 7.9 55.5 97 110 A D X - 0 0 47 -3,-1.3 3,-1.0 -4,-0.3 -1,-0.1 -0.963 55.8-169.8-137.8 123.4 36.6 10.0 52.5 98 111 A R T 3 S+ 0 0 185 -2,-0.4 -1,-0.1 1,-0.3 -67,-0.1 0.763 87.9 47.1 -58.3 -58.2 37.2 13.8 52.4 99 112 A D T 3 S+ 0 0 24 -68,-0.1 -59,-1.7 -69,-0.1 2,-0.5 -0.703 81.2 120.0 105.0 -26.5 35.4 14.6 49.7 100 113 A L E < -b 40 0A 2 -3,-1.0 2,-0.3 -6,-0.2 -59,-0.2 -0.940 41.4-166.3-107.0 122.5 32.2 12.7 50.5 101 114 A V E -b 41 0A 0 -61,-2.7 -59,-2.4 -2,-0.5 2,-0.5 -0.807 10.4-140.9-107.9 147.9 29.1 14.8 50.7 102 115 A A E -bd 42 126A 0 23,-2.6 25,-2.2 -2,-0.3 2,-0.8 -0.931 3.9-151.3-110.8 129.1 25.7 13.8 52.2 103 116 A L E -bd 43 127A 0 -61,-3.0 -59,-3.2 -2,-0.5 2,-1.0 -0.883 10.0-151.4 -96.0 109.4 22.4 14.8 50.7 104 117 A N E +bd 44 128A 1 23,-2.6 25,-0.5 -2,-0.8 -59,-0.1 -0.732 17.4 178.5 -80.5 105.0 19.7 15.0 53.4 105 118 A T + 0 0 1 -61,-2.1 -56,-1.2 -2,-1.0 -1,-0.2 0.520 43.9 111.5 -84.6 -9.2 16.5 14.2 51.4 106 119 A C - 0 0 21 -62,-0.3 23,-0.2 -58,-0.2 -58,-0.1 -0.420 40.8-179.2 -71.9 138.6 14.3 14.4 54.6 107 120 A R + 0 0 38 -2,-0.1 2,-0.3 21,-0.1 -1,-0.1 0.528 56.6 80.4-113.4 -17.9 11.8 17.3 54.8 108 121 A Y S > S- 0 0 130 1,-0.1 4,-3.0 259,-0.0 5,-0.3 -0.729 84.1-113.2-104.8 149.0 10.2 16.6 58.2 109 122 A D H > S+ 0 0 75 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.788 106.3 49.9 -46.3 -52.8 11.6 17.4 61.6 110 123 A G H > S+ 0 0 55 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.972 121.7 29.8 -56.1 -63.8 12.2 14.0 63.1 111 124 A P H > S+ 0 0 67 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.882 122.5 50.5 -65.6 -42.3 14.2 12.4 60.2 112 125 A K H X S+ 0 0 34 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.949 112.6 45.1 -60.6 -52.7 15.7 15.7 58.9 113 126 A R H X S+ 0 0 152 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.819 111.0 56.1 -61.2 -35.8 17.1 16.8 62.3 114 127 A F H X S+ 0 0 96 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.993 113.1 38.3 -59.1 -61.2 18.3 13.3 62.9 115 128 A F H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.820 114.0 55.4 -61.4 -35.4 20.5 13.2 59.8 116 129 A D H X S+ 0 0 19 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.5 44.3 -64.1 -42.5 21.6 16.8 60.1 117 130 A Q H X S+ 0 0 82 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.903 109.2 55.8 -70.9 -40.8 22.9 16.2 63.6 118 131 A I H X S+ 0 0 33 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.937 111.5 45.7 -51.1 -46.1 24.6 12.9 62.5 119 132 A C H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 4,-0.4 0.928 113.7 47.6 -63.8 -46.7 26.4 14.9 59.9 120 133 A R H ><5S+ 0 0 139 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.922 108.2 55.1 -61.6 -46.5 27.3 17.8 62.3 121 134 A T H 3<5S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.893 117.8 35.5 -52.0 -46.8 28.6 15.4 65.0 122 135 A H T 3<5S- 0 0 87 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.363 110.0-118.0 -94.0 9.1 31.0 13.7 62.5 123 136 A G T < 5 + 0 0 58 -3,-1.3 -3,-0.2 -4,-0.4 -4,-0.1 0.855 55.2 162.5 59.7 38.7 31.8 16.9 60.5 124 137 A I < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -23,-0.1 -0.808 44.3-116.9 -95.0 121.2 30.4 15.5 57.3 125 138 A P + 0 0 11 0, 0.0 -23,-2.6 0, 0.0 2,-0.3 -0.327 46.8 179.3 -58.3 128.1 29.7 18.1 54.6 126 139 A H E -d 102 0A 37 -25,-0.2 2,-0.3 -23,-0.1 -23,-0.2 -0.967 19.3-172.8-140.5 156.8 25.9 18.0 54.0 127 140 A L E -d 103 0A 0 -25,-2.2 -23,-2.6 -2,-0.3 2,-0.1 -0.980 20.5-130.4-144.7 149.7 23.1 19.6 51.9 128 141 A N E > -d 104 0A 10 -2,-0.3 4,-2.6 -25,-0.2 -23,-0.2 -0.424 47.0 -92.2 -90.0 174.6 19.4 19.7 51.6 129 142 A F H > S+ 0 0 2 -25,-0.5 4,-2.6 1,-0.2 5,-0.2 0.897 124.9 49.3 -60.0 -42.7 17.7 19.2 48.2 130 143 A E H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.894 113.1 49.0 -65.2 -39.3 17.5 22.8 47.2 131 144 A Q H > S+ 0 0 29 55,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.870 109.3 52.5 -63.8 -41.2 21.1 23.3 48.2 132 145 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 2,-0.2 6,-0.2 0.937 107.3 51.9 -58.4 -49.5 22.0 20.2 46.1 133 146 A V H <>S+ 0 0 1 -4,-2.6 5,-2.7 1,-0.2 6,-0.4 0.914 117.4 39.0 -54.6 -43.7 20.2 21.6 43.0 134 147 A R H ><5S+ 0 0 7 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.892 114.5 51.5 -74.8 -41.7 22.1 24.9 43.3 135 148 A A H 3<5S+ 0 0 6 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.781 116.7 39.1 -69.6 -30.4 25.5 23.4 44.3 136 149 A F T 3<5S- 0 0 20 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.291 110.5-117.0-102.2 7.1 25.7 21.0 41.4 137 150 A G T < 5 + 0 0 46 -3,-0.8 -3,-0.2 -4,-0.2 -4,-0.1 0.905 61.6 148.4 59.2 48.3 24.1 23.3 38.8 138 151 A L > < + 0 0 11 -5,-2.7 3,-2.2 -6,-0.2 4,-0.4 0.263 15.9 139.2 -97.2 11.2 21.0 21.2 38.2 139 152 A Q T 3 S+ 0 0 80 -6,-0.4 5,-0.1 1,-0.3 10,-0.0 -0.354 76.8 15.5 -57.1 130.6 18.7 24.1 37.4 140 153 A G T 3 S+ 0 0 62 2,-0.2 -1,-0.3 3,-0.1 4,-0.1 0.172 112.7 78.9 87.1 -16.9 16.5 23.1 34.5 141 154 A N S < S+ 0 0 52 -3,-2.2 -84,-1.8 2,-0.1 2,-0.3 0.333 86.4 64.1-105.0 5.3 17.3 19.3 34.8 142 155 A V S S- 0 0 15 -4,-0.4 -2,-0.2 -86,-0.2 5,-0.1 -0.833 106.1 -72.7-119.7 162.1 15.0 18.7 37.7 143 156 A D > - 0 0 91 -2,-0.3 3,-1.6 1,-0.1 4,-0.2 -0.245 46.3-123.7 -49.6 134.9 11.2 18.9 37.9 144 157 A Y G > S+ 0 0 91 1,-0.3 3,-1.2 2,-0.2 -1,-0.1 0.822 107.9 65.2 -56.8 -31.5 10.2 22.6 37.9 145 158 A R G 3 S+ 0 0 42 1,-0.2 -1,-0.3 194,-0.0 -2,-0.1 0.686 110.7 35.2 -65.5 -21.2 8.3 22.2 41.2 146 159 A V G < S+ 0 0 1 -3,-1.6 -1,-0.2 2,-0.1 -2,-0.2 0.184 97.7 119.3-116.4 17.2 11.6 21.4 43.1 147 160 A D S < S- 0 0 15 -3,-1.2 2,-0.8 -4,-0.2 -8,-0.1 -0.251 74.1 -93.9 -85.4 167.0 13.9 23.8 41.0 148 161 A D + 0 0 29 1,-0.1 3,-0.3 -15,-0.1 4,-0.2 -0.741 36.0 178.1 -84.7 110.1 16.0 26.7 42.2 149 162 A W > + 0 0 13 -2,-0.8 4,-1.7 1,-0.2 3,-0.2 0.272 49.1 109.2 -96.8 11.2 14.0 29.9 41.7 150 163 A G H > S+ 0 0 0 33,-0.4 4,-1.9 1,-0.2 3,-0.3 0.892 76.2 46.2 -51.5 -57.9 16.7 32.1 43.1 151 164 A A H > S+ 0 0 53 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.808 109.3 55.8 -58.0 -39.7 17.9 33.8 39.9 152 165 A D H > S+ 0 0 44 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.878 108.7 48.3 -59.2 -43.2 14.2 34.6 38.8 153 166 A I H >< S+ 0 0 4 -4,-1.7 3,-1.3 -3,-0.3 -2,-0.2 0.907 106.7 55.6 -65.9 -40.6 13.7 36.4 42.1 154 167 A V H >< S+ 0 0 39 -4,-1.9 3,-0.6 1,-0.3 -1,-0.2 0.775 105.4 53.9 -62.8 -29.4 16.9 38.4 41.8 155 168 A R H 3< S+ 0 0 168 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.616 112.5 43.5 -78.2 -14.8 15.6 39.6 38.4 156 169 A N T S+ 0 0 23 -3,-0.6 4,-2.2 1,-0.2 5,-0.2 0.921 75.4 45.4 -53.9 -58.4 13.3 42.7 43.1 158 171 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.900 111.3 53.5 -56.9 -38.3 11.4 45.9 42.6 159 172 A A H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.887 110.0 48.1 -62.8 -39.4 8.2 44.2 41.5 160 173 A F H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.879 110.2 51.3 -66.0 -37.1 8.3 42.0 44.6 161 174 A Q H X S+ 0 0 60 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.878 109.6 51.4 -64.5 -38.1 8.9 45.2 46.8 162 175 A T H X S+ 0 0 86 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.895 108.9 49.9 -64.2 -43.5 5.8 46.7 45.0 163 176 A L H >X S+ 0 0 12 -4,-2.2 4,-1.1 1,-0.2 3,-0.9 0.941 107.4 55.0 -58.4 -47.3 3.8 43.5 45.8 164 177 A A H >< S+ 0 0 5 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.891 107.3 49.9 -51.6 -44.4 4.9 43.8 49.5 165 178 A Q H 3< S+ 0 0 154 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.743 108.6 53.9 -66.8 -25.9 3.5 47.4 49.6 166 179 A R H << S+ 0 0 94 -4,-1.1 193,-0.5 -3,-0.9 -1,-0.2 0.658 82.6 103.5 -84.8 -19.7 0.2 46.3 48.1 167 180 A L << - 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