==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-OCT-99 1D2H . COMPND 2 MOLECULE: GLYCINE N-METHYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.HUANG,J.KOMOTO,F.TAKUSAGAWA,K.KONISHI,Y.TAKATA . 1012 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47126.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 757 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 84 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 . 1 0.1 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 . 128 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 22.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.5 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 5 3 0 3 3 0 1 4 4 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 8 4 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 . 4 2 1 3 6 0 1 1 4 2 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 0 0 0 1 2 3 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 41 A T >> 0 0 18 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 93.3 7.8 22.4 25.5 2 42 A A H >> + 0 0 74 1,-0.3 4,-1.5 2,-0.2 3,-0.5 0.779 360.0 63.9 -29.0 -49.2 5.2 25.1 25.5 3 43 A E H 3> S+ 0 0 143 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.928 94.6 58.1 -44.2 -59.7 7.1 26.8 28.4 4 44 A Y H <> S+ 0 0 6 -3,-1.5 4,-1.8 148,-0.4 -1,-0.3 0.876 104.3 54.2 -36.9 -52.4 10.1 27.4 26.1 5 45 A K H S+ 0 0 1 -4,-2.3 5,-2.9 -3,-0.3 -1,-0.3 0.946 117.5 36.5 -61.0 -50.5 11.9 39.4 22.2 13 53 A R H ><5S+ 0 0 128 -4,-2.3 3,-3.9 -3,-0.3 -2,-0.2 0.967 111.9 57.0 -67.3 -55.6 9.0 41.7 23.0 14 54 A Q H 3<5S+ 0 0 148 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.739 114.9 42.6 -48.9 -23.1 10.5 43.0 26.3 15 55 A H T 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -5,-0.5 -2,-0.2 0.175 113.7-119.9-110.7 15.7 13.4 44.1 24.1 16 56 A G T < 5 + 0 0 52 -3,-3.9 2,-0.4 1,-0.2 -3,-0.2 0.872 52.2 163.7 47.7 50.8 11.3 45.4 21.2 17 57 A C < + 0 0 6 -5,-2.9 -1,-0.2 1,-0.2 3,-0.1 -0.778 14.5 150.6 -99.5 142.7 12.7 43.0 18.6 18 58 A H + 0 0 117 -2,-0.4 22,-1.0 1,-0.3 2,-0.6 0.530 59.2 67.1-132.3 -54.0 10.9 42.5 15.3 19 59 A R E +a 40 0A 98 20,-0.2 72,-2.0 22,-0.1 73,-1.9 -0.678 67.0 179.7 -77.9 117.6 13.4 41.6 12.7 20 60 A V E -ab 41 92A 0 20,-2.0 22,-2.1 -2,-0.6 2,-0.6 -0.976 18.2-156.1-127.8 121.1 14.7 38.2 13.7 21 61 A L E -ab 42 93A 0 71,-1.3 73,-1.3 -2,-0.5 2,-0.9 -0.848 8.2-155.5 -95.6 123.6 17.4 36.3 11.7 22 62 A D E > -ab 43 94A 3 20,-1.7 22,-2.6 -2,-0.6 3,-0.5 -0.854 5.7-168.3-101.6 100.4 17.2 32.5 12.3 23 63 A V T 3 S+ 0 0 0 71,-1.6 54,-0.2 -2,-0.9 23,-0.1 0.121 83.7 39.7 -75.9 23.3 20.7 31.2 11.6 24 64 A A T 3 + 0 0 4 70,-0.2 21,-0.3 21,-0.1 -1,-0.3 -0.228 61.6 170.2-167.2 64.7 19.3 27.6 11.7 25 65 A C X + 0 0 0 19,-1.2 3,-2.4 -3,-0.5 5,-0.2 0.836 16.1 167.0 -52.6 -37.5 15.9 27.3 10.1 26 66 A G T 3 S- 0 0 4 1,-0.3 28,-0.5 2,-0.1 -1,-0.2 -0.387 77.1 -20.6 57.0-125.3 16.0 23.5 10.2 27 67 A T T 3 S- 0 0 59 -3,-0.1 -1,-0.3 26,-0.1 30,-0.2 0.574 100.5 -96.7 -90.9 -10.2 12.4 22.5 9.5 28 68 A G S <> S+ 0 0 0 -3,-2.4 4,-3.8 -4,-0.2 5,-0.4 0.167 78.0 138.8 117.1 -17.1 10.9 25.9 10.4 29 69 A V H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -3,-0.1 0.755 78.9 25.6 -23.7 -73.0 9.9 25.1 14.0 30 70 A D H > S+ 0 0 5 2,-0.2 4,-2.0 -5,-0.2 3,-0.4 0.978 122.6 50.9 -66.1 -58.1 10.9 28.4 15.6 31 71 A S H > S+ 0 0 0 1,-0.3 4,-3.9 2,-0.2 -2,-0.2 0.935 107.1 55.9 -45.6 -52.9 10.8 30.7 12.6 32 72 A I H X S+ 0 0 22 -4,-3.8 4,-2.5 2,-0.2 -1,-0.3 0.922 110.2 48.4 -44.7 -49.0 7.2 29.4 11.9 33 73 A M H X S+ 0 0 23 -4,-1.5 4,-3.9 -5,-0.4 5,-0.3 0.981 112.3 42.9 -55.2 -69.5 6.5 30.5 15.5 34 74 A L H X>S+ 0 0 0 -4,-2.0 5,-0.7 1,-0.2 4,-0.7 0.902 111.5 62.7 -43.7 -43.9 7.9 34.0 15.5 35 75 A V H >X5S+ 0 0 7 -4,-3.9 3,-2.2 -5,-0.4 4,-0.7 0.952 111.7 31.7 -44.5 -70.7 6.3 34.1 12.1 36 76 A E H 3<5S+ 0 0 94 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.923 110.8 68.3 -55.1 -44.5 2.7 33.7 13.4 37 77 A E H 3<5S- 0 0 47 -4,-3.9 -1,-0.3 -5,-0.3 -2,-0.2 0.647 124.7-105.0 -50.2 -14.5 3.9 35.6 16.5 38 78 A G H <<5S+ 0 0 43 -3,-2.2 2,-0.3 -4,-0.7 -3,-0.2 0.946 71.3 140.2 86.3 58.8 4.1 38.5 14.2 39 79 A F << - 0 0 17 -5,-0.7 2,-2.0 -4,-0.7 -1,-0.2 -0.976 62.0-115.7-132.8 145.3 7.9 38.9 13.5 40 80 A S E -a 19 0A 75 -22,-1.0 -20,-2.0 -2,-0.3 2,-0.6 -0.608 48.9-171.8 -79.0 85.8 9.8 39.8 10.3 41 81 A V E -a 20 0A 7 -2,-2.0 30,-2.0 -22,-0.2 2,-0.8 -0.748 20.7-178.0 -92.4 117.2 11.5 36.4 10.4 42 82 A T E -ac 21 71A 29 -22,-2.1 -20,-1.7 -2,-0.6 2,-0.4 -0.896 16.2-176.1-112.0 96.1 14.3 35.8 7.9 43 83 A S E +ac 22 72A 0 -2,-0.8 30,-1.2 28,-0.6 2,-0.3 -0.825 6.6 174.9-100.5 137.8 15.3 32.2 8.5 44 84 A V E + c 0 73A 1 -22,-2.6 -19,-1.2 -2,-0.4 2,-0.3 -0.986 4.5 179.9-140.1 144.5 18.2 30.5 6.7 45 85 A D E - c 0 74A 1 28,-1.9 30,-1.0 -2,-0.3 -21,-0.1 -0.930 33.5-126.1-139.8 159.6 19.9 27.1 7.1 46 86 A A S S+ 0 0 41 -2,-0.3 2,-0.5 28,-0.3 28,-0.1 0.495 82.8 88.1 -88.6 -2.3 22.8 25.4 5.4 47 87 A S > - 0 0 27 1,-0.2 4,-2.3 -21,-0.0 5,-0.3 -0.868 52.7-166.6-110.8 124.6 20.8 22.3 4.4 48 88 A D H > S+ 0 0 56 -2,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.960 93.8 54.0 -60.4 -54.8 18.7 21.7 1.3 49 89 A K H 4 S+ 0 0 148 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.871 115.9 38.3 -48.8 -47.0 17.0 18.6 2.7 50 90 A M H >> S+ 0 0 46 2,-0.2 3,-3.1 1,-0.2 4,-0.8 0.991 113.6 50.9 -70.8 -64.3 15.9 20.5 5.8 51 91 A L H >X S+ 0 0 4 -4,-2.3 4,-2.8 1,-0.3 3,-0.6 0.866 95.9 75.6 -39.8 -44.3 14.9 23.9 4.4 52 92 A K H 3X S+ 0 0 37 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.3 0.805 99.3 43.9 -36.4 -41.4 12.9 21.9 1.9 53 93 A Y H <> S+ 0 0 110 -3,-3.1 4,-1.9 -4,-0.4 -1,-0.3 0.848 108.8 51.7 -79.1 -38.6 10.4 21.4 4.7 54 94 A A H < S+ 0 0 34 -4,-2.1 3,-2.0 1,-0.2 4,-0.3 0.893 112.3 48.6 -39.2 -58.2 3.6 27.4 0.4 60 100 A N H >< S+ 0 0 96 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.947 121.3 33.7 -48.3 -61.2 0.6 25.9 2.3 61 101 A R G >< S+ 0 0 52 -4,-2.2 3,-2.3 1,-0.2 6,-0.3 0.227 85.9 112.3 -81.1 16.3 0.1 29.0 4.6 62 102 A R G < S+ 0 0 36 -3,-2.0 -1,-0.2 -4,-0.5 6,-0.2 0.790 70.6 64.5 -58.3 -24.5 1.3 31.1 1.6 63 103 A K G < S+ 0 0 139 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.752 83.8 88.1 -68.8 -26.0 -2.4 32.2 1.8 64 104 A E S <> S- 0 0 76 -3,-2.3 4,-1.9 -6,-0.2 3,-0.3 -0.669 78.9-141.4 -80.8 110.9 -1.6 33.7 5.2 65 105 A P H > S+ 0 0 101 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.787 100.7 61.3 -38.3 -34.6 -0.4 37.3 4.7 66 106 A A H >> S+ 0 0 49 1,-0.2 3,-1.4 2,-0.2 4,-0.9 0.992 107.2 38.2 -57.9 -67.4 2.0 36.5 7.6 67 107 A F H 34 S+ 0 0 0 -6,-0.3 -1,-0.2 -3,-0.3 -5,-0.2 0.750 99.8 74.2 -58.6 -30.3 3.9 33.6 5.9 68 108 A D H 3< S+ 0 0 17 -4,-1.9 -1,-0.3 -7,-0.3 -2,-0.2 0.897 103.6 43.8 -51.1 -37.6 3.9 35.2 2.5 69 109 A K H << S+ 0 0 131 -3,-1.4 -1,-0.2 -4,-0.9 -2,-0.2 0.879 88.2 107.2 -74.8 -41.9 6.6 37.5 4.0 70 110 A W < - 0 0 4 -4,-0.9 2,-0.4 1,-0.1 -28,-0.2 0.022 58.2-151.9 -37.8 140.8 8.6 34.9 5.8 71 111 A V E -c 42 0A 46 -30,-2.0 -28,-0.6 2,-0.0 2,-0.4 -0.844 16.1-174.4-138.9 109.2 12.0 34.1 4.1 72 112 A I E +c 43 0A 14 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.3 -0.757 15.7 173.0 -93.9 131.1 14.0 30.9 4.1 73 113 A E E -c 44 0A 93 -30,-1.2 -28,-1.9 -2,-0.4 -48,-0.2 -0.967 34.1-112.9-139.9 153.7 17.5 31.0 2.5 74 114 A E E +c 45 0A 86 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.3 -0.523 53.7 137.6 -79.9 155.1 20.4 28.7 2.2 75 115 A A - 0 0 11 -30,-1.0 2,-0.4 -2,-0.2 5,-0.1 -0.887 40.7-131.6 172.8 160.4 23.5 29.9 4.0 76 116 A N >> - 0 0 58 -2,-0.3 3,-2.6 1,-0.1 4,-0.7 -0.998 17.1-136.2-134.7 133.5 26.4 28.7 6.2 77 117 A W T 34 S+ 0 0 6 -2,-0.4 3,-0.5 1,-0.3 4,-0.3 0.830 107.1 67.6 -52.9 -32.4 27.7 30.2 9.4 78 118 A L T 34 S+ 0 0 50 1,-0.2 -1,-0.3 2,-0.1 38,-0.1 0.407 124.3 11.7 -69.9 3.8 31.1 29.7 7.9 79 119 A T T <> S+ 0 0 63 -3,-2.6 4,-2.0 37,-0.1 5,-0.2 0.219 81.9 135.8-165.0 16.7 30.2 32.3 5.4 80 120 A L H X + 0 0 0 -4,-0.7 4,-2.3 -3,-0.5 -3,-0.1 0.869 69.2 64.7 -37.8 -55.5 27.1 34.0 6.7 81 121 A D H >4 S+ 0 0 69 -4,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.888 108.7 35.0 -34.5 -76.6 28.4 37.4 5.9 82 122 A K H 34 S+ 0 0 141 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.842 122.6 49.1 -50.8 -38.2 28.6 37.0 2.1 83 123 A D H 3< S+ 0 0 72 -4,-2.0 -1,-0.3 -7,-0.2 -2,-0.2 0.599 116.0 40.0 -81.9 -12.3 25.4 34.9 2.2 84 124 A V << - 0 0 6 -4,-2.3 2,-1.0 -3,-1.6 -1,-0.2 -0.843 64.8-161.2-143.6 105.3 23.3 37.2 4.4 85 125 A P - 0 0 114 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.722 7.8-170.3 -88.2 102.7 23.3 41.0 4.0 86 126 A A > - 0 0 21 -2,-1.0 3,-2.6 1,-0.2 4,-0.0 -0.703 14.8-149.1 -95.0 85.8 21.9 42.5 7.2 87 127 A G T 3 S- 0 0 71 -2,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.676 89.1 -10.7 -13.8 -74.3 21.5 46.2 6.4 88 128 A D T 3 S- 0 0 149 1,-0.7 -1,-0.3 -3,-0.1 -2,-0.0 -0.119 117.2 -90.5-126.3 32.2 22.1 47.5 9.9 89 129 A G < - 0 0 10 -3,-2.6 -1,-0.7 36,-0.1 35,-0.2 -0.130 50.6 -86.7 80.6 174.9 22.0 44.1 11.5 90 130 A F E - d 0 124A 7 33,-1.9 35,-1.9 -3,-0.1 -70,-0.2 -0.416 23.6-117.8-108.7-172.3 18.8 42.5 12.9 91 131 A D E S+ 0 0 29 -72,-2.0 38,-1.2 1,-0.3 2,-0.4 0.856 96.9 15.4 -93.4 -47.0 17.0 42.7 16.3 92 132 A A E -bd 20 129A 1 -73,-1.9 -71,-1.3 36,-0.2 2,-0.7 -0.967 60.1-168.4-136.9 120.1 17.3 39.1 17.4 93 133 A V E -bd 21 130A 0 36,-2.2 38,-1.8 -2,-0.4 2,-0.3 -0.875 17.5-166.1-107.2 100.4 19.5 36.5 15.9 94 134 A I E +bd 22 131A 0 -73,-1.3 -71,-1.6 -2,-0.7 -70,-0.2 -0.712 23.7 173.8 -96.1 141.4 18.5 33.0 17.2 95 135 A C E + d 0 132A 0 36,-1.9 38,-0.9 -2,-0.3 5,-0.4 -0.490 29.0 157.8-135.5 53.8 20.6 29.9 17.0 96 136 A L + 0 0 6 36,-0.2 -66,-0.1 1,-0.2 36,-0.1 -0.524 40.1 57.8 -82.6 151.0 18.4 27.6 19.0 97 137 A G S S- 0 0 23 -2,-0.2 -1,-0.2 1,-0.1 37,-0.1 0.586 112.5 -83.5 107.3 15.4 18.4 23.8 18.7 98 138 A N S S+ 0 0 2 -3,-0.3 4,-0.5 1,-0.1 3,-0.2 0.900 87.8 139.6 53.7 38.3 22.0 22.8 19.5 99 139 A S > + 0 0 3 -4,-0.3 3,-1.0 1,-0.2 4,-0.5 0.855 58.6 62.6 -79.4 -37.1 22.6 23.5 15.9 100 140 A F G > S+ 0 0 0 33,-0.4 3,-0.5 -5,-0.4 -1,-0.2 0.677 91.6 67.9 -63.7 -15.9 25.9 25.2 16.5 101 141 A A G 3 S+ 0 0 0 32,-0.3 102,-0.8 1,-0.2 -1,-0.2 0.896 84.8 69.7 -69.8 -38.9 27.3 22.0 17.9 102 142 A H G < S+ 0 0 22 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.787 72.5 101.3 -48.7 -32.4 27.2 20.3 14.5 103 143 A L S < S- 0 0 10 -3,-0.5 2,-0.1 -4,-0.5 10,-0.1 -0.430 71.9-146.3 -61.0 103.0 30.0 22.6 13.4 104 144 A P - 0 0 65 0, 0.0 2,-1.9 0, 0.0 3,-0.2 -0.392 16.4-116.8 -75.7 149.6 33.0 20.2 13.7 105 145 A D > + 0 0 5 69,-0.3 3,-1.6 1,-0.2 6,-0.1 -0.443 48.3 161.4 -84.5 64.9 36.5 21.2 14.7 106 146 A S T 3 + 0 0 88 -2,-1.9 -1,-0.2 1,-0.3 4,-0.1 0.949 69.5 47.7 -47.5 -68.7 38.1 20.3 11.4 107 147 A K T 3 S- 0 0 133 -3,-0.2 2,-1.7 1,-0.2 -1,-0.3 0.396 107.6-123.3 -59.9 3.6 41.4 22.3 11.7 108 148 A G S < S+ 0 0 26 -3,-1.6 -1,-0.2 1,-0.2 -3,-0.1 -0.410 89.3 76.3 86.8 -65.2 41.9 20.9 15.2 109 149 A D S S- 0 0 73 -2,-1.7 3,-0.4 1,-0.1 4,-0.2 -0.119 100.3-104.1 -67.7-179.9 42.2 24.3 16.9 110 150 A Q S > S+ 0 0 49 1,-0.2 4,-1.3 2,-0.1 -1,-0.1 0.110 85.8 118.4 -96.3 23.4 38.9 26.1 17.5 111 151 A S H >> S+ 0 0 32 2,-0.2 4,-1.5 1,-0.2 3,-0.7 0.917 72.1 51.9 -52.6 -51.1 39.6 28.5 14.7 112 152 A E H 3> S+ 0 0 40 -3,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.962 104.9 54.7 -50.9 -58.8 36.6 27.4 12.6 113 153 A H H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.793 104.3 60.6 -46.2 -31.4 34.2 27.9 15.6 114 154 A R H < S+ 0 0 0 -4,-2.4 3,-1.2 -5,-0.3 -2,-0.2 0.910 105.4 50.8 -58.6 -45.8 26.8 35.1 13.7 121 161 A A H >< S+ 0 0 3 -4,-2.4 3,-3.5 1,-0.3 -1,-0.2 0.945 98.5 65.3 -57.6 -49.9 27.3 38.0 16.1 122 162 A S H 3< S+ 0 0 73 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.755 90.1 68.6 -44.7 -27.1 27.8 40.4 13.3 123 163 A M T << S+ 0 0 3 -3,-1.2 -33,-1.9 -4,-0.7 2,-0.6 0.433 84.0 88.9 -75.3 2.6 24.2 39.7 12.4 124 164 A V E < S-d 90 0A 0 -3,-3.5 4,-0.2 -35,-0.2 -33,-0.1 -0.894 76.4-137.4-108.7 110.9 23.1 41.5 15.6 125 165 A R E - 0 0 71 -35,-1.9 -36,-0.1 -2,-0.6 125,-0.1 -0.373 47.8 -77.1 -63.4 137.6 22.6 45.2 15.3 126 166 A P E S+ 0 0 74 0, 0.0 125,-0.2 0, 0.0 -1,-0.2 -0.031 127.3 29.1 -37.9 127.8 24.1 47.2 18.2 127 167 A G E S+ 0 0 38 123,-1.1 2,-0.4 1,-0.3 124,-0.2 0.843 100.7 137.4 82.4 39.3 21.7 46.7 21.2 128 168 A G E - E 0 250A 1 122,-0.6 122,-2.5 -4,-0.2 -1,-0.3 -0.963 47.1-132.6-130.7 139.8 20.7 43.3 19.9 129 169 A L E -dE 92 249A 10 -38,-1.2 -36,-2.2 -2,-0.4 2,-0.3 -0.271 15.4-173.2 -80.2 163.7 20.0 39.9 21.3 130 170 A L E -dE 93 248A 2 118,-0.6 118,-2.0 -38,-0.2 -36,-0.3 -0.969 11.0-158.0-153.4 145.5 21.1 36.4 20.1 131 171 A V E +dE 94 247A 1 -38,-1.8 -36,-1.9 -2,-0.3 116,-0.2 -0.587 22.1 164.0-134.8 74.8 20.1 33.0 21.4 132 172 A I E -dE 95 246A 0 114,-1.2 114,-2.2 -2,-0.2 2,-0.3 -0.433 18.6-167.0 -80.9 164.0 22.7 30.4 20.5 133 173 A D E - E 0 245A 0 -38,-0.9 -33,-0.4 112,-0.2 2,-0.3 -0.996 14.5-170.0-156.5 152.2 22.4 27.1 22.4 134 174 A H E - E 0 244A 1 110,-1.9 110,-2.6 -2,-0.3 2,-0.1 -0.999 31.3-102.5-147.8 147.1 24.3 23.9 23.2 135 175 A K E - E 0 243A 29 -2,-0.3 2,-1.9 108,-0.2 108,-0.3 -0.378 50.2 -99.2 -64.3 140.6 23.7 20.5 24.9 136 176 A N > + 0 0 8 106,-2.1 4,-1.9 1,-0.2 -1,-0.1 -0.390 54.1 166.4 -62.2 84.2 25.1 20.2 28.4 137 177 A Y H > + 0 0 1 -2,-1.9 4,-3.0 68,-0.8 -1,-0.2 0.716 65.1 70.4 -77.1 -20.2 28.3 18.4 27.4 138 178 A D H 4 S+ 0 0 76 67,-0.3 4,-0.2 2,-0.2 -1,-0.2 0.980 112.1 30.7 -57.3 -55.3 29.9 19.0 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D G T <45S+ 0 0 51 -3,-1.9 2,-0.3 -4,-0.5 -3,-0.2 0.949 71.3 140.9 82.6 54.7 65.3 -28.9 -17.0 798 79 D F << - 0 0 19 -5,-1.1 2,-1.6 -4,-0.6 -1,-0.3 -0.953 61.2-111.3-127.3 146.6 65.3 -25.1 -17.7 799 80 D S E -h 778 0H 61 -22,-1.2 -20,-1.8 -2,-0.3 2,-0.4 -0.611 48.5-162.2 -78.9 90.3 67.0 -22.4 -15.8 800 81 D V E +h 779 0H 10 -2,-1.6 30,-1.0 -22,-0.2 2,-0.5 -0.629 28.6 171.6 -88.6 130.8 63.9 -20.7 -14.5 801 82 D T E +hj 780 830H 22 -22,-2.5 -20,-1.5 -2,-0.4 2,-0.4 -0.945 22.2 176.8-130.3 100.0 63.6 -17.2 -13.1 802 83 D S E +hj 781 831H 0 28,-0.6 30,-0.9 -2,-0.5 2,-0.3 -0.926 7.6 173.1-117.6 142.3 59.9 -16.5 -12.7 803 84 D V E - j 0 832H 2 -22,-2.8 -19,-1.8 -2,-0.4 2,-0.3 -0.990 9.9-171.9-145.5 148.9 58.0 -13.5 -11.3 804 85 D D E - j 0 833H 0 28,-1.7 30,-1.7 -2,-0.3 -21,-0.1 -0.891 29.0-129.8-133.9 160.2 54.5 -12.2 -10.9 805 86 D A S S+ 0 0 48 -2,-0.3 2,-0.5 28,-0.2 30,-0.1 0.310 85.8 80.3 -97.2 10.3 53.2 -8.8 -9.7 806 87 D S > - 0 0 22 1,-0.2 4,-2.1 28,-0.1 5,-0.3 -0.940 61.9-156.6-125.2 116.1 50.7 -10.4 -7.3 807 88 D D H > S+ 0 0 45 -2,-0.5 4,-3.5 1,-0.2 5,-0.3 0.953 95.4 51.7 -44.5 -75.8 51.6 -11.7 -3.8 808 89 D K H > S+ 0 0 129 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.801 114.5 42.1 -26.6 -67.7 48.6 -14.1 -3.6 809 90 D M H >> S+ 0 0 55 1,-0.2 3,-2.8 2,-0.2 4,-0.9 0.971 119.6 42.6 -47.4 -72.7 49.3 -15.7 -7.0 810 91 D L H >X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.3 3,-1.5 0.873 101.4 70.0 -40.2 -54.5 53.1 -15.9 -6.5 811 92 D K H 3X S+ 0 0 42 -4,-3.5 4,-0.9 -5,-0.3 -1,-0.3 0.635 100.3 50.0 -43.3 -18.8 52.7 -17.1 -2.9 812 93 D Y H X S+ 0 0 54 -4,-0.9 4,-1.9 -5,-0.3 3,-0.7 0.945 104.9 48.8 -50.9 -58.7 54.8 -23.0 -1.7 816 97 D E H 3X S+ 0 0 68 -4,-1.7 4,-2.9 1,-0.3 5,-0.3 0.922 109.8 54.0 -48.9 -49.1 55.3 -25.8 -4.2 817 98 D R H 3< S+ 0 0 21 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.835 105.1 53.8 -56.4 -36.8 59.0 -24.8 -4.4 818 99 D W H << S+ 0 0 28 -4,-1.8 -1,-0.2 -3,-0.7 -2,-0.2 0.921 112.4 43.2 -65.8 -43.3 59.3 -25.1 -0.7 819 100 D N H >< S+ 0 0 89 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.970 121.2 39.0 -64.8 -54.6 58.0 -28.6 -0.6 820 101 D R T 3< S+ 0 0 74 -4,-2.9 3,-0.4 1,-0.3 -1,-0.2 0.505 84.7 113.2 -72.7 -2.5 60.0 -29.7 -3.7 821 102 D R T 3 + 0 0 35 -5,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.778 69.2 63.5 -39.9 -30.5 62.7 -27.6 -2.1 822 103 D K S < S+ 0 0 145 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.1 0.993 83.3 78.6 -60.4 -65.1 64.5 -30.9 -1.7 823 104 D E S > S- 0 0 83 -3,-0.4 4,-1.0 1,-0.2 0, 0.0 -0.183 87.2-129.4 -46.4 131.2 64.8 -31.8 -5.3 824 105 D P H > S+ 0 0 96 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.799 100.2 67.8 -56.0 -30.9 67.8 -29.7 -6.6 825 106 D A H >> S+ 0 0 40 1,-0.2 3,-3.3 2,-0.2 4,-1.3 0.983 103.9 36.7 -53.4 -73.8 65.7 -28.4 -9.5 826 107 D F H 34 S+ 0 0 0 1,-0.3 -1,-0.2 -6,-0.2 -5,-0.1 0.712 105.8 73.7 -55.1 -18.2 63.2 -26.3 -7.6 827 108 D D H 3< S+ 0 0 21 -4,-1.0 -1,-0.3 -7,-0.2 -2,-0.2 0.779 102.7 40.5 -65.9 -24.6 66.2 -25.4 -5.4 828 109 D K H << S+ 0 0 131 -3,-3.3 -2,-0.2 -4,-0.7 -1,-0.2 0.797 89.9 114.7 -90.8 -34.3 67.4 -23.3 -8.4 829 110 D W < - 0 0 2 -4,-1.3 2,-0.2 1,-0.1 -28,-0.2 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4,-1.5 1,-0.2 3,-0.8 0.745 68.6 64.8 -48.0 -28.3 60.0 -4.6 -14.9 840 121 D D G >4 S+ 0 0 76 -4,-0.4 3,-0.5 1,-0.2 5,-0.3 0.968 106.3 37.1 -63.3 -56.6 63.3 -3.0 -15.7 841 122 D K G <4 S+ 0 0 147 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.234 119.6 54.1 -82.2 15.9 64.1 -1.7 -12.3 842 123 D D G <4 S+ 0 0 58 -3,-0.8 -1,-0.2 -4,-0.3 -2,-0.2 0.574 110.2 38.3-120.3 -20.6 62.6 -4.9 -10.8 843 124 D V S << S- 0 0 13 -4,-1.5 2,-1.0 -3,-0.5 -1,-0.2 -0.851 78.9-130.0-139.8 102.9 64.6 -7.6 -12.7 844 125 D P - 0 0 115 0, 0.0 4,-0.2 0, 0.0 3,-0.1 -0.247 17.7-156.5 -51.1 90.9 68.3 -7.3 -13.5 845 126 D A > + 0 0 28 -2,-1.0 3,-2.6 -5,-0.3 39,-0.1 0.779 26.1 177.8 -41.9 -29.9 68.1 -8.1 -17.2 846 127 D G T 3 - 0 0 67 1,-0.3 -1,-0.2 2,-0.0 3,-0.1 -0.373 69.1 -17.8 59.0-134.3 71.7 -9.1 -16.8 847 128 D D T 3 S- 0 0 154 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.337 115.0 -97.2 -83.3 6.5 73.0 -10.4 -20.1 848 129 D G < - 0 0 7 -3,-2.6 -1,-0.3 -4,-0.2 35,-0.2 0.096 40.1 -84.2 92.0 152.0 69.4 -10.9 -21.1 849 130 D F E - k 0 883H 4 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150 D Q T >> S+ 0 0 26 -2,-0.4 4,-2.2 1,-0.3 3,-0.9 0.223 82.9 121.9 -64.1 24.4 47.7 2.7 -24.6 870 151 D S H 3> + 0 0 39 -2,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.920 66.5 53.4 -50.5 -56.6 50.9 4.1 -23.3 871 152 D E H <> S+ 0 0 42 -3,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.761 111.4 53.4 -54.1 -22.8 51.0 1.9 -20.2 872 153 D H H <> S+ 0 0 0 -3,-0.9 4,-2.3 -4,-0.2 5,-0.3 0.982 105.3 46.6 -74.5 -65.9 50.7 -0.8 -22.7 873 154 D R H X S+ 0 0 99 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.790 114.6 51.6 -48.1 -33.6 53.6 0.0 -25.1 874 155 D L H X S+ 0 0 63 -4,-2.2 4,-3.4 -5,-0.2 5,-0.3 0.912 107.3 48.6 -73.2 -46.2 55.8 0.5 -22.0 875 156 D A H X S+ 0 0 0 -4,-1.4 4,-3.0 -3,-0.3 5,-0.2 0.962 114.9 46.2 -58.6 -50.8 55.0 -2.9 -20.3 876 157 D L H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.888 113.4 52.6 -57.2 -39.5 55.7 -4.7 -23.6 877 158 D K H X S+ 0 0 111 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.981 111.1 42.8 -59.8 -61.2 58.8 -2.5 -23.9 878 159 D N H < S+ 0 0 13 -4,-3.4 4,-0.5 1,-0.2 -2,-0.2 0.905 116.0 49.8 -52.7 -46.8 60.2 -3.4 -20.5 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