==== 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 30-JAN-03 1NTH . COMPND 2 MOLECULE: MONOMETHYLAMINE METHYLTRANSFERASE MTMB1; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOSARCINA BARKERI; . AUTHOR B.HAO,W.GONG,T.K.FERGUSON,C.M.JAMES,J.A.KRZYCKI,M.K.CHAN . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 22 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 2 0 0 1 1 1 0 2 1 1 0 0 3 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 6 3 1 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 PARALLEL BRIDGES PER LADDER . 2 2 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 1 0 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 2 A T 0 0 148 0, 0.0 2,-0.2 0, 0.0 88,-0.1 0.000 360.0 360.0 360.0 178.4 9.1 59.5 75.3 2 3 A F - 0 0 58 86,-0.2 3,-0.1 1,-0.1 85,-0.0 -0.494 360.0-131.9 -85.4 155.6 10.7 60.9 78.4 3 4 A R S S- 0 0 208 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.952 84.4 -20.9 -70.2 -48.7 10.1 59.6 81.9 4 5 A K S S- 0 0 73 -3,-0.0 -1,-0.3 3,-0.0 2,-0.1 -0.979 84.3 -77.3-155.7 156.9 9.5 63.1 83.4 5 6 A S - 0 0 63 -2,-0.3 2,-0.1 -3,-0.1 84,-0.1 -0.402 62.7-108.3 -58.7 131.6 10.3 66.7 82.5 6 7 A F + 0 0 15 83,-0.3 2,-0.3 -2,-0.1 -1,-0.1 -0.352 49.2 162.4 -67.4 139.8 13.9 67.2 83.4 7 8 A D >> - 0 0 30 -2,-0.1 4,-1.9 -3,-0.1 3,-0.7 -0.896 54.9 -82.7-147.0 176.8 14.8 69.3 86.4 8 9 A C H 3> S+ 0 0 0 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.757 123.9 58.4 -55.0 -28.3 17.6 70.1 88.8 9 10 A Y H 3> S+ 0 0 126 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.904 105.9 47.2 -71.0 -40.8 16.7 67.0 90.9 10 11 A D H <> S+ 0 0 9 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.872 109.6 56.2 -66.1 -36.1 17.2 64.7 88.0 11 12 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.950 107.0 47.5 -60.6 -49.3 20.5 66.4 87.3 12 13 A Y H X S+ 0 0 101 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.933 111.2 52.3 -56.5 -47.9 21.7 65.7 90.9 13 14 A D H >X S+ 0 0 92 -4,-2.2 3,-0.7 1,-0.2 4,-0.7 0.934 114.8 40.8 -53.4 -51.6 20.6 62.1 90.5 14 15 A R H >X S+ 0 0 63 -4,-2.6 4,-1.5 1,-0.2 3,-0.6 0.824 107.1 62.3 -69.4 -32.4 22.5 61.6 87.3 15 16 A A H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.731 101.5 54.3 -66.3 -21.6 25.5 63.6 88.4 16 17 A K H << S+ 0 0 94 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.741 122.8 24.0 -84.5 -23.6 26.1 61.0 91.2 17 18 A V H << S+ 0 0 114 -4,-0.7 -2,-0.2 -3,-0.6 -1,-0.1 0.314 94.1 119.5-124.0 6.9 26.2 58.0 88.9 18 19 A G S < S- 0 0 16 -4,-1.5 65,-0.2 1,-0.2 2,-0.1 -0.027 79.3 -61.1 -67.5 176.0 27.2 59.4 85.5 19 20 A E E -A 82 0A 107 63,-0.7 63,-1.7 62,-0.1 -1,-0.2 -0.387 57.9-120.9 -60.6 126.9 30.3 58.5 83.5 20 21 A K E +A 81 0A 120 61,-0.2 2,-0.3 -2,-0.1 61,-0.2 -0.456 44.7 161.1 -69.9 143.7 33.4 59.3 85.5 21 22 A C - 0 0 8 59,-2.5 2,-0.1 -2,-0.1 0, 0.0 -0.954 37.5-119.1-165.1 140.1 35.7 61.8 83.7 22 23 A T > - 0 0 66 -2,-0.3 4,-1.4 1,-0.1 5,-0.1 -0.478 30.4-118.0 -80.0 158.4 38.5 64.2 84.6 23 24 A Q H > S+ 0 0 70 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.827 116.4 54.6 -66.7 -29.2 38.0 67.9 83.9 24 25 A D H > S+ 0 0 103 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.875 103.3 54.7 -70.4 -36.7 40.9 67.8 81.5 25 26 A D H 4>S+ 0 0 65 2,-0.2 5,-2.7 1,-0.2 4,-0.5 0.858 114.9 42.3 -63.0 -33.1 39.3 65.0 79.5 26 27 A W H <>S+ 0 0 0 -4,-1.4 5,-2.4 3,-0.2 -2,-0.2 0.961 122.2 35.4 -76.8 -54.0 36.3 67.3 79.3 27 28 A D H <5S+ 0 0 5 -4,-3.1 -3,-0.2 1,-0.2 -2,-0.2 0.838 126.6 35.8 -70.1 -38.6 38.0 70.6 78.5 28 29 A L T <5S+ 0 0 113 -4,-2.8 -1,-0.2 -5,-0.2 -3,-0.2 0.426 134.9 9.0 -99.2 0.0 40.8 69.3 76.4 29 30 A M T >5S+ 0 0 76 -4,-0.5 4,-2.5 -5,-0.3 5,-0.3 0.475 119.4 45.5-139.9 -69.5 39.1 66.5 74.5 30 31 A K H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.881 114.3 52.5 -59.7 -36.0 36.8 70.6 71.6 33 34 A M H X S+ 0 0 119 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.942 112.0 44.1 -64.3 -47.4 36.4 67.4 69.6 34 35 A K H X S+ 0 0 36 -4,-1.9 4,-2.8 -5,-0.3 5,-0.2 0.898 113.5 49.6 -66.4 -40.2 32.6 67.6 69.4 35 36 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.924 113.9 46.9 -63.9 -42.4 32.5 71.3 68.5 36 37 A M H X S+ 0 0 130 -4,-2.1 4,-1.8 -5,-0.3 -2,-0.2 0.910 113.2 49.1 -63.5 -44.8 35.1 70.6 65.8 37 38 A E H X S+ 0 0 95 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.927 113.0 45.6 -61.4 -48.6 33.2 67.6 64.5 38 39 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 6,-0.3 0.859 107.9 57.1 -67.1 -35.6 29.9 69.4 64.3 39 40 A K H <>S+ 0 0 58 -4,-2.2 5,-2.2 -5,-0.2 4,-0.3 0.943 115.4 37.1 -60.7 -46.1 31.3 72.5 62.7 40 41 A Q H ><5S+ 0 0 152 -4,-1.8 3,-0.8 3,-0.2 -2,-0.2 0.918 113.9 54.8 -73.3 -43.8 32.7 70.4 59.8 41 42 A K H 3<5S+ 0 0 118 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.871 118.7 34.9 -58.6 -37.7 29.7 68.0 59.6 42 43 A Y T 3<5S- 0 0 41 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.429 106.2-128.9 -96.2 0.5 27.3 70.9 59.2 43 44 A G T < 5 - 0 0 36 -3,-0.8 2,-0.2 -4,-0.3 -3,-0.2 0.876 33.6-167.9 55.4 42.8 29.7 73.0 57.2 44 45 A L < + 0 0 8 -5,-2.2 2,-0.3 -6,-0.3 -1,-0.2 -0.444 19.0 159.2 -68.4 129.0 29.2 76.0 59.4 45 46 A D - 0 0 80 -2,-0.2 12,-0.0 226,-0.1 -1,-0.0 -0.871 24.0-169.5-152.2 111.0 30.7 79.2 57.9 46 47 A F > - 0 0 1 -2,-0.3 3,-2.2 6,-0.0 -1,-0.0 0.561 26.5-146.7 -81.0 -8.7 29.5 82.6 59.1 47 48 A K T 3 - 0 0 144 1,-0.3 -2,-0.0 0, 0.0 -1,-0.0 0.822 62.7 -58.5 45.4 44.8 31.4 84.4 56.3 48 49 A G T 3 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.1 2,-0.2 0.469 97.8 139.9 71.3 1.6 32.1 87.5 58.3 49 50 A E < - 0 0 52 -3,-2.2 -1,-0.2 1,-0.1 267,-0.1 -0.566 41.3-161.6 -80.8 142.5 28.5 88.4 59.1 50 51 A F S S+ 0 0 2 1,-0.3 266,-0.2 -2,-0.2 -1,-0.1 0.851 88.2 29.5 -85.4 -40.9 27.6 89.6 62.6 51 52 A I S S- 0 0 0 346,-0.2 -1,-0.3 264,-0.1 265,-0.1 -0.984 94.3-121.4-122.2 121.6 23.9 88.8 62.2 52 53 A P + 0 0 5 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.258 28.5 176.6 -65.2 146.9 23.0 85.9 59.9 53 54 A T + 0 0 88 1,-0.1 2,-0.7 344,-0.0 345,-0.0 0.173 62.4 90.1-128.6 6.2 20.8 86.3 56.8 54 55 A D > - 0 0 58 1,-0.1 4,-2.1 2,-0.0 3,-0.2 -0.877 53.3-173.5-109.9 98.5 21.1 82.7 55.7 55 56 A K H > S+ 0 0 122 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.802 84.0 58.4 -62.7 -29.6 18.3 80.6 57.3 56 57 A D H > S+ 0 0 118 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.922 108.8 44.3 -65.6 -43.4 19.8 77.4 56.0 57 58 A M H > S+ 0 0 13 -3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.874 112.6 53.5 -67.5 -37.1 23.1 78.0 57.8 58 59 A M H X S+ 0 0 9 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 106.5 51.5 -64.6 -41.4 21.1 79.1 60.9 59 60 A E H X S+ 0 0 78 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.878 109.5 50.1 -64.2 -36.9 19.2 75.9 60.9 60 61 A K H X S+ 0 0 68 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.881 109.1 52.2 -68.6 -35.8 22.4 73.9 60.7 61 62 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.897 109.4 49.9 -65.6 -39.5 23.8 75.9 63.6 62 63 A F H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.941 111.7 47.4 -64.2 -46.4 20.7 75.1 65.6 63 64 A K H X S+ 0 0 98 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.889 111.7 51.8 -61.6 -38.8 21.0 71.4 64.9 64 65 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.925 110.7 47.0 -63.4 -46.1 24.7 71.5 65.7 65 66 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.902 113.1 48.9 -62.5 -41.7 24.0 73.2 69.1 66 67 A F H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.935 113.5 46.7 -62.7 -46.9 21.2 70.7 69.9 67 68 A E H X S+ 0 0 29 -4,-2.7 4,-2.9 1,-0.2 5,-0.4 0.848 107.2 57.7 -66.1 -34.6 23.5 67.8 68.9 68 69 A M H X>S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.6 0.953 111.5 41.8 -59.6 -49.6 26.4 69.2 71.0 69 70 A L H X5S+ 0 0 0 -4,-2.0 4,-1.3 1,-0.2 16,-0.3 0.922 116.9 48.3 -64.4 -44.1 24.2 69.2 74.1 70 71 A L H <5S+ 0 0 30 -4,-2.5 15,-0.3 1,-0.2 -2,-0.2 0.898 118.4 37.5 -64.1 -43.7 22.7 65.8 73.4 71 72 A E H <5S+ 0 0 87 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.852 126.4 33.5 -80.4 -36.3 26.0 64.0 72.6 72 73 A C H <5S- 0 0 10 -4,-2.3 2,-0.2 -5,-0.4 -3,-0.2 0.932 85.0-169.3 -85.0 -52.5 28.3 65.6 75.2 73 74 A G << - 0 0 0 -4,-1.3 2,-0.4 -5,-0.6 11,-0.2 -0.543 37.4 -54.7 90.9-161.4 26.0 66.2 78.1 74 75 A I E -B 83 0A 0 9,-2.5 9,-3.2 -2,-0.2 2,-0.4 -0.973 42.9-135.6-124.5 131.8 27.0 68.4 81.1 75 76 A Y E -Bc 82 236A 0 160,-2.3 162,-2.4 -2,-0.4 2,-0.7 -0.709 12.7-148.8 -86.6 128.7 30.1 67.9 83.3 76 77 A C E >> -Bc 81 237A 0 5,-2.7 4,-1.8 -2,-0.4 5,-0.8 -0.879 2.7-158.7 -99.3 115.1 29.5 68.2 87.0 77 78 A T T 45S+ 0 0 25 160,-2.2 161,-0.2 -2,-0.7 -1,-0.1 0.780 87.5 51.6 -63.6 -30.2 32.7 69.6 88.7 78 79 A D T 45S+ 0 0 88 159,-0.4 -1,-0.2 1,-0.2 160,-0.1 0.850 121.4 29.2 -78.5 -34.2 31.9 68.3 92.2 79 80 A T T 45S- 0 0 26 -3,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.558 94.9-135.1-100.6 -11.5 31.2 64.7 91.2 80 81 A H T <5 + 0 0 75 -4,-1.8 -59,-2.5 1,-0.2 2,-0.3 0.852 66.4 120.0 58.0 35.6 33.6 64.6 88.2 81 82 A R E < -AB 20 76A 84 -5,-0.8 -5,-2.7 -61,-0.2 2,-0.4 -0.880 63.2-117.2-128.2 160.7 30.8 62.8 86.3 82 83 A I E -AB 19 75A 5 -63,-1.7 -63,-0.7 -2,-0.3 2,-0.5 -0.840 15.6-148.0-104.4 132.7 28.8 63.5 83.1 83 84 A V E - B 0 74A 0 -9,-3.2 -9,-2.5 -2,-0.4 2,-0.4 -0.869 17.1-159.3 -99.6 126.1 25.1 64.1 83.0 84 85 A K - 0 0 99 -2,-0.5 2,-0.2 -11,-0.2 -14,-0.1 -0.850 3.2-157.2-108.8 141.8 23.4 62.9 79.8 85 86 A Y - 0 0 9 -2,-0.4 2,-0.3 -16,-0.3 3,-0.0 -0.692 15.8-127.1-107.7 163.1 20.0 64.0 78.4 86 87 A T > - 0 0 63 -2,-0.2 4,-1.9 1,-0.1 3,-0.2 -0.734 26.3-112.7-105.2 160.9 17.8 62.1 75.9 87 88 A E H > S+ 0 0 106 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.898 117.4 52.1 -59.4 -42.2 16.5 63.7 72.8 88 89 A D H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.834 107.0 52.9 -65.2 -33.1 12.9 63.6 74.0 89 90 A E H > S+ 0 0 8 2,-0.2 4,-1.6 -3,-0.2 -83,-0.3 0.900 108.9 49.6 -69.3 -40.0 13.9 65.3 77.3 90 91 A I H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.919 111.6 48.1 -65.2 -42.5 15.6 68.2 75.4 91 92 A W H X S+ 0 0 84 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.868 106.3 57.1 -66.3 -35.8 12.6 68.7 73.1 92 93 A D H < S+ 0 0 26 -4,-1.9 4,-0.4 2,-0.2 -1,-0.2 0.903 111.0 44.9 -60.9 -39.1 10.2 68.7 76.1 93 94 A A H >< S+ 0 0 12 -4,-1.6 3,-1.1 2,-0.2 -2,-0.2 0.951 115.8 44.5 -69.5 -49.8 12.2 71.6 77.6 94 95 A I H >< S+ 0 0 10 -4,-2.5 3,-0.7 1,-0.2 232,-0.4 0.883 111.3 54.5 -62.3 -38.8 12.5 73.5 74.3 95 96 A N T 3< S+ 0 0 103 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.551 112.8 43.7 -73.8 -7.4 8.8 73.0 73.5 96 97 A N T < S+ 0 0 118 -3,-1.1 -1,-0.2 -4,-0.4 2,-0.2 -0.316 76.5 144.8-135.5 54.3 7.7 74.4 76.9 97 98 A V < - 0 0 17 -3,-0.7 2,-0.2 1,-0.1 194,-0.1 -0.512 61.7 -86.0 -89.3 160.6 9.7 77.6 77.6 98 99 A Q - 0 0 75 192,-0.5 230,-0.3 -2,-0.2 -1,-0.1 -0.488 36.3-158.0 -66.3 130.0 8.4 80.6 79.4 99 100 A K - 0 0 117 1,-0.3 15,-0.5 -2,-0.2 2,-0.3 0.869 62.8 -24.6 -79.3 -40.3 6.7 82.9 76.8 100 101 A E E -E 113 0B 91 13,-0.1 2,-0.3 228,-0.0 -1,-0.3 -0.966 58.7-173.1-163.5 169.0 6.8 86.2 78.6 101 102 A F E -E 112 0B 10 11,-1.7 11,-3.1 -2,-0.3 2,-0.4 -0.981 23.4-112.2-164.7 167.9 7.0 87.7 82.1 102 103 A V E -E 111 0B 62 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.913 21.1-160.7-113.1 137.4 6.9 90.9 84.1 103 104 A L E +E 110 0B 2 7,-2.5 7,-2.6 -2,-0.4 96,-0.2 -0.927 58.5 6.5-115.1 141.5 9.9 92.4 85.9 104 105 A G S S- 0 0 3 120,-2.3 2,-0.3 -2,-0.4 94,-0.2 -0.212 78.1-103.4 82.5-176.7 9.4 95.0 88.7 105 106 A T > + 0 0 71 92,-2.7 3,-1.0 4,-0.1 4,-0.2 -0.903 66.6 8.7-144.3 169.3 6.1 96.1 90.3 106 107 A G G > S- 0 0 69 -2,-0.3 3,-1.4 1,-0.2 0, 0.0 -0.185 122.9 -19.9 58.9-148.4 3.7 99.0 90.3 107 108 A R G 3 S+ 0 0 230 1,-0.2 -1,-0.2 91,-0.0 88,-0.0 0.787 138.4 59.9 -62.4 -26.5 4.1 101.8 87.8 108 109 A D G < S+ 0 0 17 -3,-1.0 91,-0.4 2,-0.1 -1,-0.2 0.445 77.8 115.2 -84.9 -1.4 7.7 100.8 87.2 109 110 A A < - 0 0 36 -3,-1.4 2,-0.3 -4,-0.2 -5,-0.2 -0.309 48.0-159.6 -68.5 152.5 7.0 97.2 86.1 110 111 A V E -E 103 0B 23 -7,-2.6 -7,-2.5 -6,-0.0 2,-0.4 -0.987 14.4-125.5-136.7 146.8 7.9 96.2 82.5 111 112 A N E -E 102 0B 77 -2,-0.3 2,-0.6 -9,-0.2 -9,-0.2 -0.770 15.6-155.3 -92.7 132.5 6.8 93.4 80.2 112 113 A V E +E 101 0B 1 -11,-3.1 -11,-1.7 -2,-0.4 2,-0.3 -0.934 25.7 164.1-108.7 112.5 9.4 91.1 78.7 113 114 A R E -E 100 0B 139 -2,-0.6 -13,-0.1 -13,-0.2 -14,-0.0 -0.872 42.3 -78.3-126.2 160.3 8.2 89.6 75.4 114 115 A K - 0 0 78 -15,-0.5 2,-0.4 -2,-0.3 246,-0.1 -0.223 39.2-160.0 -61.1 142.6 9.9 87.8 72.5 115 116 A R - 0 0 8 244,-0.5 2,-0.2 4,-0.0 246,-0.1 -0.943 6.4-145.8-121.4 144.4 11.7 89.8 69.9 116 117 A S > - 0 0 60 -2,-0.4 3,-2.0 1,-0.1 243,-0.2 -0.529 42.7 -70.0-101.5 172.7 12.6 88.6 66.4 117 118 A V T 3 S+ 0 0 43 1,-0.3 241,-0.2 202,-0.2 -1,-0.1 -0.432 124.4 7.3 -61.7 133.3 15.7 89.4 64.3 118 119 A G T 3 S+ 0 0 21 239,-2.6 -1,-0.3 238,-0.3 239,-0.1 0.638 92.8 178.4 67.9 15.6 15.4 93.0 63.2 119 120 A D < - 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0 0 0 -2,-0.3 3,-1.3 -12,-0.2 4,-0.7 -0.964 45.3-106.6-142.7 162.0 28.1 104.8 85.5 379 380 A G H 3> S+ 0 0 0 -2,-0.3 4,-2.0 1,-0.3 5,-0.1 0.694 107.5 76.1 -60.1 -20.9 24.6 105.3 84.2 380 381 A M H 3> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.874 92.7 51.8 -60.2 -37.6 26.0 107.2 81.2 381 382 A E H <> S+ 0 0 0 -3,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.880 109.7 49.3 -66.9 -36.4 27.1 103.9 79.6 382 383 A A H X S+ 0 0 0 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.832 106.1 57.5 -70.4 -32.6 23.6 102.5 80.0 383 384 A R H X S+ 0 0 59 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.932 108.8 45.1 -63.2 -44.0 22.1 105.6 78.5 384 385 A M H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.922 110.0 55.0 -64.8 -42.9 24.2 105.0 75.3 385 386 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.917 113.0 43.7 -55.5 -43.7 23.3 101.3 75.3 386 387 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.903 112.6 49.0 -70.6 -43.7 19.6 102.3 75.4 387 388 A E H X S+ 0 0 27 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.898 112.2 49.7 -63.5 -39.9 19.7 105.1 72.8 388 389 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.868 107.6 54.3 -66.9 -36.2 21.6 102.9 70.4 389 390 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 -5,-0.3 -1,-0.2 0.918 108.8 48.7 -63.7 -42.3 19.1 100.1 70.9 390 391 A R H < S+ 0 0 87 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.927 112.6 48.2 -62.2 -44.7 16.3 102.5 70.0 391 392 A A H < S+ 0 0 11 -4,-2.2 65,-0.3 1,-0.2 -1,-0.2 0.843 113.7 47.3 -64.5 -35.1 18.2 103.6 66.9 392 393 A T H >< S+ 0 0 2 -4,-2.3 3,-2.3 -5,-0.1 -1,-0.2 0.814 84.4 106.7 -77.7 -33.2 19.0 100.0 65.8 393 394 A A T 3< S+ 0 0 22 -4,-2.1 -273,-0.2 1,-0.3 -274,-0.1 -0.228 91.4 8.7 -52.5 127.3 15.4 98.7 66.2 394 395 A G T 3 S+ 0 0 18 -275,-1.2 -1,-0.3 1,-0.3 -274,-0.2 0.297 91.4 138.0 86.3 -10.7 13.8 98.1 62.9 395 396 A V < - 0 0 35 -3,-2.3 -1,-0.3 -276,-0.2 5,-0.1 -0.452 64.9 -97.7 -72.0 140.7 16.9 98.7 60.8 396 397 A E > - 0 0 121 -2,-0.1 4,-1.9 1,-0.1 3,-0.4 -0.312 27.6-130.3 -57.0 135.3 17.5 96.3 57.8 397 398 A I H > S+ 0 0 29 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.850 106.1 58.3 -58.3 -38.0 20.0 93.6 58.8 398 399 A S H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.914 109.2 46.0 -59.6 -40.8 22.1 94.1 55.7 399 400 A E H > S+ 0 0 93 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.864 109.7 54.6 -69.0 -36.8 22.6 97.7 56.8 400 401 A V H X S+ 0 0 2 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.928 105.3 52.2 -63.3 -45.6 23.3 96.7 60.3 401 402 A N H X S+ 0 0 20 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.867 110.6 49.0 -59.8 -35.9 26.1 94.3 59.2 402 403 A V H X S+ 0 0 76 -4,-1.3 4,-1.8 -5,-0.2 -1,-0.2 0.931 111.7 48.1 -69.1 -45.4 27.7 97.1 57.2 403 404 A I H X S+ 0 0 14 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.911 111.0 51.4 -61.3 -43.2 27.5 99.6 60.2 404 405 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.895 106.5 53.3 -62.7 -41.4 29.0 97.0 62.6 405 406 A D H X S+ 0 0 79 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.918 114.2 42.7 -60.7 -42.1 32.0 96.3 60.3 406 407 A K H X S+ 0 0 108 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.890 116.3 47.8 -70.5 -40.8 32.8 100.0 60.2 407 408 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-0.4 0.942 110.2 48.9 -67.2 -49.8 32.2 100.6 63.9 408 409 A V H >X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.3 3,-1.4 0.850 105.3 61.2 -60.4 -32.1 34.2 97.6 65.2 409 410 A S H 3< S+ 0 0 58 -4,-1.2 -1,-0.3 -5,-0.3 4,-0.3 0.739 92.5 67.6 -65.9 -21.9 37.0 98.7 62.9 410 411 A L T << S+ 0 0 86 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.671 120.9 11.4 -73.4 -16.4 37.2 102.0 64.8 411 412 A Y T X4 S+ 0 0 2 -3,-1.4 3,-2.4 -4,-0.4 -2,-0.2 0.549 96.2 95.1-136.2 -13.8 38.4 100.4 68.0 412 413 A E T 3< S+ 0 0 45 -4,-2.5 3,-0.3 1,-0.3 -3,-0.1 0.561 86.7 56.0 -63.3 -6.2 39.5 96.8 67.4 413 414 A K T 3 S+ 0 0 177 -4,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.361 102.4 57.8-104.2 5.2 43.1 97.8 66.9 414 415 A N < + 0 0 76 -3,-2.4 3,-0.5 1,-0.1 -2,-0.2 0.139 63.5 113.4-121.0 19.3 43.3 99.5 70.3 415 416 A Y S > S+ 0 0 16 -3,-0.3 3,-1.3 1,-0.2 -1,-0.1 0.919 81.2 49.4 -57.6 -45.8 42.4 96.7 72.7 416 417 A A T 3 S+ 0 0 88 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.762 119.1 39.3 -65.8 -25.3 45.9 96.7 74.3 417 418 A S T 3 S+ 0 0 85 -3,-0.5 -1,-0.3 2,-0.0 -2,-0.2 0.070 79.3 152.2-113.2 23.9 45.8 100.5 74.7 418 419 A A < - 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0 0 26 -9,-2.4 4,-2.1 1,-0.1 5,-0.2 -0.339 26.6-110.6 -76.6 163.0 30.1 116.2 84.5 437 438 A E H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.851 119.5 62.1 -62.6 -32.0 30.2 118.4 81.4 438 439 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 105.2 44.2 -58.0 -49.2 33.3 116.5 80.5 439 440 A Y H > S+ 0 0 0 -12,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.911 110.7 54.9 -63.8 -42.0 31.4 113.2 80.2 440 441 A M H X S+ 0 0 90 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.880 108.7 49.0 -59.2 -37.3 28.5 114.9 78.4 441 442 A Q H X S+ 0 0 134 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.893 110.7 49.5 -69.3 -40.2 31.0 116.2 75.8 442 443 A V H X S+ 0 0 32 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.914 110.4 51.8 -63.4 -42.7 32.6 112.7 75.4 443 444 A Y H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.928 108.8 50.2 -59.5 -47.4 29.1 111.3 75.0 444 445 A D H X S+ 0 0 97 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.900 108.6 52.7 -59.5 -41.9 28.3 113.8 72.3 445 446 A G H X S+ 0 0 28 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.912 111.5 45.1 -60.9 -43.8 31.5 113.0 70.4 446 447 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 112.0 51.8 -66.6 -42.6 30.7 109.2 70.4 447 448 A R H X S+ 0 0 60 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.897 106.9 54.4 -61.0 -41.2 27.1 109.8 69.3 448 449 A K H X S+ 0 0 110 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 106.6 50.6 -60.6 -42.2 28.3 112.0 66.4 449 450 A K H X S+ 0 0 87 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.868 109.2 51.4 -64.8 -36.1 30.5 109.2 65.1 450 451 A L H X>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 4,-0.6 0.879 108.6 51.2 -68.4 -37.1 27.6 106.8 65.3 451 452 A E H ><5S+ 0 0 79 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.895 105.7 55.3 -66.5 -38.7 25.4 109.1 63.3 452 453 A D H 3<5S+ 0 0 117 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.785 104.2 55.7 -64.7 -25.5 28.1 109.5 60.7 453 454 A L H 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.633 132.1 -90.0 -81.2 -14.1 28.1 105.7 60.3 454 455 A G T <<5S+ 0 0 46 -3,-1.2 -3,-0.2 -4,-0.6 2,-0.2 0.348 78.4 138.6 125.1 -8.2 24.4 105.8 59.6 455 456 A L < - 0 0 11 -5,-2.0 2,-0.6 -8,-0.1 -1,-0.3 -0.491 37.5-153.6 -72.0 138.4 22.6 105.5 62.9 456 457 A V 0 0 112 -65,-0.3 -1,-0.0 -2,-0.2 -5,-0.0 -0.947 360.0 360.0-116.7 111.7 19.5 107.7 63.3 457 458 A F 0 0 62 -2,-0.6 -1,-0.1 -10,-0.1 -65,-0.0 0.619 360.0 360.0 -84.3 360.0 18.7 108.6 66.9