==== 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 20-SEP-00 1FVO . COMPND 2 MOLECULE: ORNITHINE TRANSCARBAMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.SHI,H.MORIZONO,X.YU,N.M.ALLEWELL,M.TUCHMAN . 642 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 452 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 0.6 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 . 42 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 209 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 4 2 2 0 0 4 0 2 1 1 2 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 3 5 5 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 2 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 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 34 A K 0 0 236 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 5.0 34.9 -78.3 66.6 2 35 A V - 0 0 40 16,-0.1 2,-0.7 17,-0.0 0, 0.0 -0.898 360.0-173.4-105.2 119.2 38.3 -79.0 67.9 3 36 A Q + 0 0 157 -2,-0.6 16,-0.0 1,-0.1 305,-0.0 -0.840 24.6 146.0-114.8 94.6 39.7 -76.7 70.6 4 37 A L > + 0 0 4 -2,-0.7 3,-2.4 303,-0.2 -1,-0.1 0.703 29.3 122.8 -98.7 -23.0 43.3 -77.5 71.4 5 38 A K T 3 S+ 0 0 115 1,-0.3 303,-0.2 305,-0.1 304,-0.2 -0.082 81.4 11.5 -45.9 127.7 44.6 -74.0 72.1 6 39 A G T 3 S+ 0 0 50 302,-2.3 -1,-0.3 1,-0.3 2,-0.1 0.364 96.9 126.2 87.1 -4.5 46.1 -73.8 75.6 7 40 A R < - 0 0 69 -3,-2.4 -1,-0.3 118,-0.1 2,-0.2 -0.444 57.5-119.9 -87.3 160.2 46.2 -77.6 76.4 8 41 A D - 0 0 55 117,-0.2 2,-0.5 -2,-0.1 119,-0.2 -0.630 9.3-147.0 -92.2 155.9 49.2 -79.6 77.5 9 42 A L B +a 127 0A 0 117,-2.7 119,-3.2 -2,-0.2 3,-0.1 -0.781 46.0 138.3-122.9 81.9 50.5 -82.6 75.4 10 43 A L S S- 0 0 19 -2,-0.5 2,-0.3 1,-0.4 -1,-0.1 0.710 76.5 -11.4 -94.4 -28.6 51.7 -84.9 78.1 11 44 A T > - 0 0 5 -3,-0.2 3,-1.5 124,-0.1 -1,-0.4 -0.906 58.6-118.9-171.6 144.4 50.3 -88.1 76.5 12 45 A L G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.3 8,-0.1 0.602 97.8 89.6 -63.8 -10.1 48.0 -89.1 73.7 13 46 A K G 3 S+ 0 0 79 1,-0.3 -1,-0.3 3,-0.0 157,-0.0 0.838 87.3 48.2 -55.0 -35.9 45.9 -90.8 76.4 14 47 A N G < S+ 0 0 86 -3,-1.5 2,-0.4 2,-0.1 -1,-0.3 0.332 97.0 85.1 -90.3 6.1 43.9 -87.5 76.9 15 48 A F S < S- 0 0 3 -3,-1.8 2,-0.1 -4,-0.1 -6,-0.0 -0.894 70.4-134.1-113.1 140.4 43.2 -86.8 73.2 16 49 A T >> - 0 0 75 -2,-0.4 4,-2.4 1,-0.1 3,-0.6 -0.446 30.8-107.9 -83.0 163.3 40.4 -88.2 71.1 17 50 A G H 3> S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.866 121.3 58.5 -58.7 -33.6 41.0 -89.5 67.7 18 51 A E H 3> S+ 0 0 95 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.878 108.8 44.8 -63.7 -36.8 39.3 -86.5 66.3 19 52 A E H <> S+ 0 0 28 -3,-0.6 4,-1.8 2,-0.2 -2,-0.2 0.886 111.8 49.4 -75.1 -42.3 41.9 -84.2 68.0 20 53 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.880 110.5 54.1 -64.6 -33.5 44.9 -86.3 67.1 21 54 A K H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.860 102.5 56.4 -67.3 -34.4 43.6 -86.2 63.5 22 55 A Y H X S+ 0 0 35 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.925 106.7 50.7 -61.9 -43.8 43.4 -82.4 63.7 23 56 A M H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.870 110.9 46.2 -63.4 -39.1 47.1 -82.3 64.5 24 57 A L H X S+ 0 0 1 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.871 111.8 53.2 -71.5 -34.0 48.1 -84.6 61.7 25 58 A W H X S+ 0 0 53 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.925 109.8 46.7 -63.8 -45.9 45.9 -82.5 59.4 26 59 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.858 109.4 56.7 -64.0 -35.5 47.7 -79.3 60.5 27 60 A S H X S+ 0 0 2 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.917 109.2 44.6 -61.4 -44.7 51.0 -81.2 60.0 28 61 A A H X S+ 0 0 16 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.927 112.6 52.4 -65.3 -46.0 50.1 -81.9 56.4 29 62 A D H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.957 111.8 44.5 -54.6 -56.4 48.9 -78.3 55.9 30 63 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.5 0.891 113.5 50.8 -57.3 -42.9 52.1 -76.7 57.2 31 64 A K H X>S+ 0 0 21 -4,-2.1 4,-1.4 -5,-0.2 5,-1.1 0.888 111.4 49.4 -63.5 -38.0 54.2 -79.2 55.2 32 65 A F H X>S+ 0 0 66 -4,-2.5 5,-2.4 3,-0.2 4,-0.9 0.958 114.5 42.1 -65.7 -52.6 52.3 -78.3 52.1 33 66 A R H <5S+ 0 0 17 -4,-2.5 6,-2.6 3,-0.2 -2,-0.2 0.851 126.7 30.7 -64.7 -39.1 52.5 -74.6 52.4 34 67 A I H <5S+ 0 0 10 -4,-2.3 4,-0.3 4,-0.2 -3,-0.2 0.937 128.3 33.2 -87.6 -54.3 56.1 -74.4 53.5 35 68 A K H <5S+ 0 0 28 -4,-1.4 -3,-0.2 -5,-0.5 -2,-0.1 0.887 133.7 24.7 -72.8 -40.7 57.9 -77.3 51.8 36 69 A Q T < + 0 0 50 0, 0.0 3,-1.6 0, 0.0 29,-0.1 -0.246 33.6 145.8 -76.5 51.6 55.3 -66.3 60.9 43 76 A L T 3 S+ 0 0 45 -2,-2.1 29,-0.2 1,-0.3 269,-0.1 0.725 73.1 42.5 -62.7 -23.4 52.5 -67.9 63.0 44 77 A L T > S+ 0 0 0 27,-3.1 3,-2.2 -3,-0.3 -1,-0.3 0.129 78.8 145.4-112.0 20.7 54.6 -67.9 66.1 45 78 A Q T < S+ 0 0 137 -3,-1.6 28,-0.2 26,-0.4 3,-0.1 -0.302 72.6 20.3 -57.3 138.0 56.1 -64.5 65.8 46 79 A G T 3 S+ 0 0 76 26,-0.7 -1,-0.3 1,-0.3 2,-0.3 0.468 104.0 111.4 80.8 -0.4 56.6 -62.9 69.2 47 80 A K < - 0 0 69 -3,-2.2 27,-2.5 25,-0.2 2,-0.3 -0.720 48.1-160.3-106.7 158.3 56.5 -66.3 71.0 48 81 A S E -b 74 0A 29 -2,-0.3 55,-2.0 25,-0.2 56,-0.6 -0.944 4.2-150.4-134.4 156.1 59.2 -68.2 72.8 49 82 A L E -bc 75 104A 0 25,-2.2 27,-3.0 -2,-0.3 2,-0.7 -0.994 8.0-145.2-131.2 131.4 59.7 -71.8 73.8 50 83 A G E -bc 76 105A 3 54,-2.7 56,-2.8 -2,-0.4 2,-0.8 -0.855 15.4-166.5 -95.5 115.5 61.6 -73.2 76.7 51 84 A M E -bc 77 106A 0 25,-3.3 27,-3.3 -2,-0.7 2,-0.6 -0.887 4.6-172.0-105.8 105.2 63.2 -76.5 75.8 52 85 A I E -bc 78 107A 4 54,-2.1 56,-2.7 -2,-0.8 2,-0.5 -0.868 3.9-176.2 -99.9 116.3 64.4 -78.3 78.9 53 86 A F E + c 0 108A 7 25,-2.5 27,-0.4 -2,-0.6 56,-0.1 -0.952 21.3 174.5-116.7 121.1 66.4 -81.4 78.2 54 87 A E S S+ 0 0 39 54,-2.3 2,-0.3 -2,-0.5 55,-0.1 0.556 77.4 39.8 -93.9 -11.5 67.7 -83.7 80.9 55 88 A K S S- 0 0 60 53,-0.4 53,-0.1 1,-0.2 55,-0.0 -0.881 96.3 -85.0-133.2 165.0 69.1 -86.1 78.3 56 89 A R + 0 0 236 -2,-0.3 2,-0.3 -3,-0.0 -1,-0.2 0.092 50.7 159.2 -56.9 179.4 70.9 -85.9 74.9 57 90 A S + 0 0 34 -4,-0.1 -4,-0.0 3,-0.1 -1,-0.0 -0.899 28.7 169.1 168.5 165.4 68.9 -85.5 71.7 58 91 A T S > S+ 0 0 77 -2,-0.3 4,-3.3 3,-0.0 5,-0.5 0.175 85.1 53.6-157.7 -57.2 69.2 -84.5 68.1 59 92 A R H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.947 120.5 34.3 -55.2 -53.6 66.0 -85.5 66.4 60 93 A T H > S+ 0 0 0 2,-0.2 4,-2.2 3,-0.2 5,-0.3 0.904 121.4 48.1 -70.5 -43.1 63.9 -83.8 69.0 61 94 A R H > S+ 0 0 78 2,-0.2 4,-3.0 3,-0.2 5,-0.2 0.970 118.0 39.7 -60.6 -57.2 66.3 -80.9 69.6 62 95 A L H X S+ 0 0 98 -4,-3.3 4,-2.8 2,-0.2 5,-0.5 0.932 118.0 46.0 -59.8 -52.6 66.8 -80.2 65.8 63 96 A S H X S+ 0 0 11 -4,-2.0 4,-1.9 -5,-0.5 5,-0.2 0.939 118.5 43.0 -58.5 -47.8 63.2 -80.7 64.7 64 97 A T H X S+ 0 0 1 -4,-2.2 4,-2.2 -5,-0.3 5,-0.2 0.895 117.2 46.0 -67.8 -39.9 61.8 -78.6 67.6 65 98 A E H X S+ 0 0 58 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.955 119.0 37.8 -70.4 -49.4 64.4 -75.8 67.3 66 99 A T H X S+ 0 0 52 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.859 117.4 54.5 -69.7 -32.8 64.3 -75.4 63.5 67 100 A G H X S+ 0 0 0 -4,-1.9 4,-0.8 -5,-0.5 -2,-0.2 0.929 109.3 44.2 -66.0 -47.8 60.6 -75.9 63.5 68 101 A F H ><>S+ 0 0 4 -4,-2.2 5,-2.0 1,-0.2 3,-0.6 0.896 116.4 47.5 -64.4 -41.0 59.7 -73.3 66.1 69 102 A A H ><5S+ 0 0 48 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.832 101.6 64.9 -69.5 -32.6 62.1 -70.8 64.5 70 103 A L H 3<5S+ 0 0 53 -4,-2.0 -29,-0.3 1,-0.3 -1,-0.2 0.762 103.0 48.5 -63.0 -24.7 60.7 -71.5 61.0 71 104 A L T <<5S- 0 0 0 -4,-0.8 -27,-3.1 -3,-0.6 -26,-0.4 0.200 128.2 -97.4 -99.2 12.5 57.3 -70.1 62.2 72 105 A G T < 5S+ 0 0 24 -3,-2.0 -26,-0.7 1,-0.3 -3,-0.2 0.484 83.9 120.1 89.3 4.0 59.0 -67.0 63.6 73 106 A G < - 0 0 10 -5,-2.0 -1,-0.3 -28,-0.2 -25,-0.2 -0.475 63.1-113.3 -96.2 172.0 59.3 -67.9 67.3 74 107 A H E -b 48 0A 121 -27,-2.5 -25,-2.2 -30,-0.2 2,-0.4 -0.918 22.1-151.6-111.4 117.4 62.4 -68.1 69.4 75 108 A P E -b 49 0A 15 0, 0.0 2,-0.6 0, 0.0 -25,-0.2 -0.694 7.6-156.2 -85.7 132.2 63.4 -71.5 70.7 76 109 A C E -b 50 0A 51 -27,-3.0 -25,-3.3 -2,-0.4 2,-0.6 -0.919 5.8-151.5-116.4 110.1 65.4 -71.5 74.0 77 110 A F E +b 51 0A 73 -2,-0.6 2,-0.3 -27,-0.2 -25,-0.2 -0.686 19.9 175.0 -85.3 118.5 67.6 -74.5 74.6 78 111 A L E +b 52 0A 40 -27,-3.3 -25,-2.5 -2,-0.6 2,-0.2 -0.936 5.4 177.9-126.2 146.6 68.2 -75.4 78.2 79 112 A T >> - 0 0 27 -2,-0.3 4,-2.3 -27,-0.2 3,-0.7 -0.570 50.6 -79.4-128.4-168.1 70.0 -78.3 79.9 80 113 A T T 34 S+ 0 0 62 -27,-0.4 -26,-0.1 1,-0.2 -28,-0.0 0.750 127.9 54.8 -70.3 -25.4 70.9 -79.5 83.4 81 114 A Q T 34 S+ 0 0 165 1,-0.1 -1,-0.2 3,-0.0 -3,-0.0 0.625 115.2 41.8 -81.3 -13.8 73.9 -77.1 83.6 82 115 A D T <4 S+ 0 0 85 -3,-0.7 -2,-0.2 3,-0.0 -1,-0.1 0.893 104.0 62.7 -94.0 -67.4 71.4 -74.3 82.8 83 116 A I S < S- 0 0 24 -4,-2.3 -4,-0.0 1,-0.1 4,-0.0 -0.001 70.3-142.5 -52.1 167.1 68.3 -74.9 84.8 84 117 A H >>> + 0 0 103 6,-0.1 4,-1.8 3,-0.1 5,-1.3 0.366 56.5 138.7-109.1 -5.1 68.6 -74.9 88.6 85 118 A L B 345S+e 89 0B 25 1,-0.2 2,-0.6 3,-0.2 5,-0.1 -0.136 74.8 0.5 -47.7 125.1 66.1 -77.8 88.6 86 119 A G T 345S+ 0 0 70 3,-1.4 -1,-0.2 1,-0.1 5,-0.1 -0.263 133.6 54.7 89.8 -45.6 67.0 -80.5 91.1 87 120 A V T <45S+ 0 0 112 -3,-0.7 -2,-0.2 -2,-0.6 -1,-0.1 0.964 126.2 1.3 -85.0 -64.5 70.1 -78.7 92.4 88 121 A N T <5S+ 0 0 122 -4,-1.8 2,-0.3 1,-0.1 -3,-0.2 0.320 120.9 50.2-112.1 9.0 69.2 -75.1 93.5 89 122 A E B < -e 85 0B 67 -5,-1.3 -3,-1.4 1,-0.0 -1,-0.1 -0.994 66.2-124.3-155.0 147.3 65.4 -74.9 92.9 90 123 A S - 0 0 57 -2,-0.3 4,-0.4 -5,-0.1 -6,-0.1 0.133 30.4-118.7 -68.2-169.5 62.0 -76.5 93.5 91 124 A L S > S+ 0 0 35 2,-0.1 4,-2.3 3,-0.1 5,-0.2 0.762 108.4 56.3-104.6 -36.5 59.6 -77.4 90.7 92 125 A T H > S+ 0 0 48 1,-0.2 4,-1.0 2,-0.2 -1,-0.0 0.854 110.3 47.8 -63.6 -34.9 56.7 -75.3 91.7 93 126 A D H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.883 111.2 49.7 -73.7 -39.0 59.0 -72.2 91.6 94 127 A T H > S+ 0 0 15 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.870 106.5 55.3 -68.3 -36.5 60.5 -73.1 88.2 95 128 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 28,-0.4 0.853 109.6 48.5 -65.0 -32.4 57.0 -73.7 86.7 96 129 A R H X S+ 0 0 160 -4,-1.0 4,-0.6 2,-0.2 -2,-0.2 0.882 111.1 47.3 -76.2 -38.8 56.1 -70.2 87.7 97 130 A V H >X S+ 0 0 66 -4,-1.8 3,-1.1 1,-0.2 4,-0.9 0.941 114.9 47.0 -67.3 -46.6 59.2 -68.4 86.4 98 131 A L H >X S+ 0 0 28 -4,-2.4 4,-2.6 1,-0.3 3,-0.8 0.890 105.5 60.9 -60.1 -40.8 58.9 -70.2 83.1 99 132 A S H 3< S+ 0 0 18 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.680 108.9 42.7 -62.8 -18.3 55.2 -69.4 82.9 100 133 A S H << S+ 0 0 95 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.573 121.0 40.3-102.7 -11.4 56.0 -65.7 82.9 101 134 A M H << S+ 0 0 135 -4,-0.9 2,-0.3 -3,-0.8 -2,-0.2 0.647 113.7 38.1-112.5 -16.6 58.9 -65.9 80.5 102 135 A A < - 0 0 13 -4,-2.6 -53,-0.2 -5,-0.1 3,-0.1 -0.879 63.8-136.0-130.4 163.9 58.0 -68.4 77.8 103 136 A D S S- 0 0 55 -55,-2.0 2,-0.3 1,-0.3 -54,-0.2 0.581 87.9 -4.3 -94.3 -10.9 54.8 -69.1 75.9 104 137 A A E -c 49 0A 0 -56,-0.6 -54,-2.7 20,-0.2 2,-0.4 -0.959 63.0-135.2-171.9 158.4 55.3 -72.9 76.2 105 138 A V E -cd 50 126A 2 20,-2.3 22,-2.9 -2,-0.3 2,-0.5 -0.980 4.7-163.5-128.1 137.4 57.7 -75.5 77.4 106 139 A L E -cd 51 127A 0 -56,-2.8 -54,-2.1 -2,-0.4 2,-0.4 -0.987 21.7-171.3-116.6 120.1 58.9 -78.7 75.8 107 140 A A E -cd 52 128A 0 20,-2.4 22,-3.2 -2,-0.5 2,-0.7 -0.951 24.0-166.3-122.7 132.0 60.5 -81.0 78.3 108 141 A R E +c 53 0A 26 -56,-2.7 -54,-2.3 -2,-0.4 -53,-0.4 -0.926 35.3 161.8-110.0 101.7 62.5 -84.3 77.9 109 142 A V - 0 0 7 21,-1.1 23,-0.1 -2,-0.7 3,-0.1 -0.729 49.0-127.1-119.3 169.4 62.6 -85.6 81.5 110 143 A Y S S+ 0 0 137 -2,-0.2 22,-0.9 21,-0.2 2,-0.5 0.893 94.1 53.8 -80.7 -43.4 63.2 -88.9 83.2 111 144 A K >> - 0 0 125 20,-0.1 4,-0.8 1,-0.1 3,-0.5 -0.819 61.7-156.4-103.0 131.0 60.0 -89.0 85.2 112 145 A Q H 3> S+ 0 0 18 -2,-0.5 4,-1.6 1,-0.2 3,-0.4 0.818 97.6 64.0 -66.5 -31.5 56.5 -88.6 83.8 113 146 A S H 3> S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.842 94.8 59.3 -61.6 -33.9 55.4 -87.4 87.3 114 147 A D H <> S+ 0 0 44 -3,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.878 104.6 49.7 -62.8 -37.9 57.7 -84.4 86.9 115 148 A L H X S+ 0 0 0 -4,-0.8 4,-2.4 -3,-0.4 -1,-0.2 0.860 109.7 52.1 -68.5 -35.4 55.8 -83.4 83.8 116 149 A D H X S+ 0 0 86 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.937 112.4 43.9 -66.1 -45.6 52.6 -83.7 85.7 117 150 A T H X S+ 0 0 51 -4,-2.6 4,-2.1 2,-0.2 5,-0.3 0.968 112.7 52.9 -60.7 -53.0 53.8 -81.5 88.5 118 151 A L H X S+ 0 0 8 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.883 111.6 45.4 -48.0 -48.2 55.2 -79.0 86.0 119 152 A A H < S+ 0 0 16 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.845 107.8 57.7 -67.7 -35.9 51.8 -78.8 84.2 120 153 A K H < S+ 0 0 165 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.892 119.1 30.9 -60.8 -41.2 49.9 -78.5 87.5 121 154 A E H < S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.809 104.9 81.7 -89.2 -36.5 51.9 -75.4 88.4 122 155 A A < - 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0 0 20 35,-0.1 -3,-2.5 -124,-0.1 33,-0.2 -0.887 32.5-171.3-138.5 170.0 55.5 -92.0 76.8 135 168 A H >> + 0 0 6 31,-0.7 3,-1.5 -2,-0.3 4,-1.1 -0.346 25.0 162.9-152.6 57.3 56.8 -90.3 73.6 136 169 A P H 3> S+ 0 0 0 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.799 70.2 60.9 -53.1 -37.1 53.6 -89.0 71.9 137 170 A I H 3> S+ 0 0 1 -9,-0.5 4,-1.4 1,-0.2 5,-0.1 0.816 100.6 57.5 -66.1 -23.3 55.4 -86.6 69.5 138 171 A Q H <> S+ 0 0 3 -3,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.936 105.4 49.7 -68.3 -43.6 57.2 -89.6 68.1 139 172 A I H X S+ 0 0 0 -4,-1.1 4,-2.8 1,-0.2 5,-0.3 0.862 103.4 59.4 -63.2 -36.1 53.9 -91.3 67.2 140 173 A L H X S+ 0 0 2 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.939 108.2 45.9 -57.8 -44.1 52.5 -88.2 65.5 141 174 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.886 112.2 52.1 -65.3 -39.0 55.4 -88.3 63.1 142 175 A D H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.954 110.7 45.4 -63.3 -51.2 54.9 -92.1 62.6 143 176 A Y H X S+ 0 0 3 -4,-2.8 4,-3.2 2,-0.2 -1,-0.2 0.881 110.9 52.3 -61.6 -41.6 51.2 -91.8 61.8 144 177 A L H X S+ 0 0 2 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.934 111.6 49.0 -60.5 -42.7 51.7 -88.9 59.4 145 178 A T H X S+ 0 0 4 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.903 112.5 45.9 -62.8 -43.7 54.3 -91.0 57.6 146 179 A L H >X S+ 0 0 0 -4,-2.5 4,-3.2 2,-0.2 3,-0.6 0.920 112.0 52.8 -65.2 -41.1 52.1 -94.0 57.4 147 180 A Q H 3X S+ 0 0 26 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.935 108.0 50.6 -58.6 -46.7 49.3 -91.7 56.2 148 181 A E H 3< S+ 0 0 87 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.711 117.4 41.9 -65.6 -18.6 51.5 -90.4 53.5 149 182 A H H << S+ 0 0 91 -4,-0.9 -2,-0.2 -3,-0.6 -1,-0.2 0.913 124.9 27.7 -93.7 -50.5 52.4 -93.9 52.5 150 183 A Y H < S- 0 0 36 -4,-3.2 -3,-0.2 2,-0.2 -2,-0.2 0.493 94.6-127.0 -91.3 -6.1 49.1 -95.8 52.6 151 184 A S S < S+ 0 0 80 -4,-2.0 2,-0.3 -5,-0.4 169,-0.2 0.365 88.3 29.8 76.1 -8.0 46.7 -92.9 51.9 152 185 A S - 0 0 33 -6,-0.3 -2,-0.2 1,-0.1 169,-0.2 -0.956 62.6-149.0-166.0 170.5 44.8 -93.8 55.0 153 186 A L > + 0 0 0 168,-4.2 3,-2.3 -2,-0.3 -1,-0.1 0.722 60.2 106.7-117.8 -42.3 45.4 -95.5 58.4 154 187 A K T 3 S+ 0 0 157 167,-2.1 26,-0.2 1,-0.3 25,-0.2 -0.110 87.7 19.3 -46.5 125.1 42.2 -97.3 59.3 155 188 A G T 3 S+ 0 0 37 24,-2.2 -1,-0.3 1,-0.4 25,-0.1 0.043 88.3 130.1 102.7 -28.2 42.6 -101.0 59.0 156 189 A L < - 0 0 13 -3,-2.3 25,-2.6 1,-0.1 2,-0.6 -0.232 51.9-138.4 -59.1 149.3 46.4 -101.2 59.1 157 190 A T E -f 181 0C 16 23,-0.2 68,-2.4 66,-0.1 69,-1.8 -0.965 13.0-153.0-113.9 120.4 47.9 -103.6 61.5 158 191 A L E -fg 182 226C 1 23,-3.6 25,-2.7 -2,-0.6 2,-0.6 -0.807 4.1-156.9 -95.4 131.6 50.9 -102.4 63.3 159 192 A S E -fg 183 227C 0 67,-3.3 69,-2.8 -2,-0.5 2,-0.5 -0.910 5.6-161.8-112.3 110.2 53.5 -104.9 64.5 160 193 A W E +fg 184 228C 2 23,-2.6 25,-2.9 -2,-0.6 2,-0.4 -0.767 10.9 177.3 -92.9 130.5 55.7 -103.9 67.4 161 194 A I E +f 185 0C 1 67,-2.7 69,-0.5 -2,-0.5 2,-0.3 -0.886 46.6 44.4-134.8 102.8 58.8 -105.9 68.0 162 195 A G S S- 0 0 0 23,-2.0 69,-0.1 -2,-0.4 28,-0.1 -0.975 90.0 -12.2 166.6-151.2 61.1 -104.7 70.8 163 196 A D - 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0 0 2 -5,-2.1 2,-0.3 -26,-0.2 -1,-0.3 -0.733 46.4-127.9-100.9 149.2 44.4 -99.6 63.6 181 214 A H E -f 157 0C 48 -25,-2.6 -23,-3.6 -2,-0.3 2,-0.5 -0.696 17.3-151.8 -94.9 148.7 45.2 -103.0 65.0 182 215 A L E +fh 158 211C 8 28,-2.5 30,-3.0 -2,-0.3 2,-0.5 -0.971 16.5 176.2-127.1 121.4 48.2 -103.6 67.3 183 216 A Q E -fh 159 212C 7 -25,-2.7 -23,-2.6 -2,-0.5 2,-0.4 -0.986 18.9-173.7-120.8 116.3 50.2 -106.8 67.6 184 217 A A E -fh 160 213C 1 28,-3.5 30,-2.6 -2,-0.5 2,-0.4 -0.950 15.0-165.5-122.9 136.7 53.1 -106.4 70.0 185 218 A A E +fh 161 214C 0 -25,-2.9 -23,-2.0 -2,-0.4 30,-0.2 -0.957 17.0 161.3-117.9 128.4 56.0 -108.7 71.0 186 219 A T - 0 0 6 28,-1.6 -23,-0.1 -2,-0.4 3,-0.1 -0.993 43.1 -99.7-143.9 143.2 58.2 -108.1 74.0 187 220 A P > - 0 0 6 0, 0.0 3,-2.0 0, 0.0 2,-0.2 -0.176 54.1 -85.2 -58.5 158.1 60.5 -110.5 75.9 188 221 A K T 3 S+ 0 0 166 1,-0.3 27,-0.0 59,-0.2 26,-0.0 -0.493 120.8 26.3 -66.9 130.7 59.1 -112.0 79.1 189 222 A G T 3 S+ 0 0 62 -2,-0.2 -1,-0.3 -3,-0.1 58,-0.0 0.342 108.5 77.5 97.6 -7.1 59.8 -109.5 81.9 190 223 A Y < + 0 0 44 -3,-2.0 -26,-0.7 -28,-0.1 -2,-0.1 -0.150 63.6 146.8-123.9 34.8 59.8 -106.5 79.5 191 224 A E - 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0 0 33 -26,-1.9 4,-2.0 -2,-0.3 3,-0.4 -0.354 32.4-104.6 -88.8 172.1 63.4 -71.2 25.8 602 313 B D H > S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.721 116.1 62.9 -65.5 -22.2 64.4 -67.7 24.7 603 314 B E H 4 S+ 0 0 125 2,-0.2 -1,-0.2 1,-0.2 -27,-0.1 0.883 112.7 30.4 -72.6 -40.9 64.1 -68.8 21.1 604 315 B V H 4 S+ 0 0 0 -3,-0.4 3,-0.4 -29,-0.3 -2,-0.2 0.756 116.8 58.7 -88.4 -28.3 60.3 -69.5 21.2 605 316 B F H < S+ 0 0 8 -4,-2.0 7,-0.2 1,-0.2 -2,-0.2 0.920 115.8 32.8 -67.8 -45.1 59.5 -66.9 23.9 606 317 B Y S < S+ 0 0 146 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 0.224 94.6 117.0 -97.3 14.3 60.9 -63.9 21.9 607 318 B S S > S- 0 0 16 -3,-0.4 3,-2.0 1,-0.1 -18,-0.1 -0.368 81.0-111.2 -77.8 161.0 59.9 -65.3 18.5 608 319 B P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.517 118.2 66.6 -70.8 0.3 57.4 -63.4 16.3 609 320 B R T 3 S+ 0 0 91 -5,-0.1 -20,-3.0 -21,-0.1 2,-0.5 0.535 81.3 97.8 -92.4 -10.8 55.1 -66.3 16.9 610 321 B S B < -t 589 0F 19 -3,-2.0 3,-0.2 -22,-0.2 -20,-0.2 -0.704 47.1-179.1 -84.8 121.5 54.9 -65.3 20.6 611 322 B L > + 0 0 14 -22,-3.1 4,-2.8 -2,-0.5 5,-0.3 0.282 44.7 122.5-100.3 7.5 51.9 -63.3 21.5 612 323 B V H > S+ 0 0 0 -23,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.807 75.3 38.5 -36.0 -54.9 53.1 -63.0 25.2 613 324 B F H > S+ 0 0 124 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.901 114.9 49.6 -73.7 -42.0 53.1 -59.2 25.4 614 325 B P H > S+ 0 0 62 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.898 111.9 53.8 -62.3 -32.5 50.0 -58.4 23.4 615 326 B E H < S+ 0 0 2 -4,-2.8 -2,-0.2 1,-0.2 4,-0.2 0.856 106.3 51.1 -66.3 -36.5 48.4 -61.0 25.6 616 327 B A H >< S+ 0 0 28 -4,-1.3 3,-1.5 -5,-0.3 4,-0.5 0.918 108.4 51.3 -68.0 -43.8 49.6 -59.2 28.7 617 328 B E H >X S+ 0 0 72 -4,-2.4 3,-1.6 1,-0.3 4,-0.9 0.887 101.8 61.0 -60.4 -40.9 48.2 -55.9 27.5 618 329 B N H 3X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.3 -1,-0.3 0.524 84.7 77.3 -66.9 -4.6 44.8 -57.4 26.8 619 330 B R H <> S+ 0 0 6 -3,-1.5 4,-1.9 -4,-0.2 -1,-0.3 0.885 97.6 48.1 -68.2 -36.1 44.6 -58.2 30.5 620 331 B K H <> S+ 0 0 60 -3,-1.6 4,-1.4 -4,-0.5 -2,-0.2 0.949 112.4 44.6 -68.3 -50.4 43.7 -54.6 30.8 621 332 B W H X S+ 0 0 15 -4,-0.9 4,-1.5 1,-0.2 -2,-0.2 0.864 115.9 47.0 -66.8 -35.8 41.1 -54.4 28.1 622 333 B T H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.949 108.9 50.9 -73.3 -45.8 39.3 -57.6 29.2 623 334 B I H X S+ 0 0 3 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.845 110.3 53.9 -59.5 -28.8 39.1 -56.8 32.9 624 335 B M H X S+ 0 0 1 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.901 106.6 50.0 -69.7 -41.6 37.6 -53.5 31.9 625 336 B A H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.889 110.2 51.3 -64.3 -38.9 34.9 -55.2 29.8 626 337 B V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.961 111.3 47.1 -60.6 -52.0 34.2 -57.4 32.8 627 338 B M H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.913 115.1 45.7 -55.9 -47.1 33.8 -54.4 35.0 628 339 B V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 6,-0.3 0.918 113.8 48.4 -65.2 -44.0 31.6 -52.6 32.5 629 340 B S H < S+ 0 0 5 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 115.6 43.0 -67.4 -36.0 29.4 -55.6 31.8 630 341 B L H < S+ 0 0 3 -4,-2.6 -302,-2.6 -303,-0.2 -1,-0.2 0.730 125.7 31.8 -82.1 -21.5 28.8 -56.5 35.5 631 342 B L H < S+ 0 0 20 -4,-1.6 2,-0.3 -5,-0.3 -2,-0.2 0.515 113.9 46.4-115.1 -5.3 28.2 -52.9 36.7 632 343 B T < - 0 0 25 -4,-2.0 -306,-0.1 -5,-0.1 -305,-0.1 -0.838 63.2-129.3-137.0 174.4 26.6 -51.0 33.8 633 344 B D + 0 0 128 -2,-0.3 -4,-0.1 2,-0.1 -1,-0.0 0.350 62.7 135.0 -99.3 1.1 24.0 -50.9 31.0 634 345 B Y - 0 0 37 -6,-0.3 -2,-0.1 -269,-0.1 -3,-0.0 -0.213 39.9-156.8 -55.0 137.0 26.6 -49.9 28.4 635 346 B S - 0 0 76 1,-0.0 -2,-0.1 -287,-0.0 -1,-0.1 -0.942 27.8 -98.9-118.9 141.0 26.3 -51.8 25.0 636 347 B P - 0 0 17 0, 0.0 4,-0.1 0, 0.0 -288,-0.1 -0.214 26.1-165.6 -54.3 141.5 29.3 -52.2 22.6 637 348 B Q + 0 0 121 -289,-0.1 3,-0.1 2,-0.1 -289,-0.1 0.709 63.4 91.0-100.0 -26.2 29.1 -49.7 19.7 638 349 B L S S- 0 0 52 -291,-0.1 2,-0.2 1,-0.1 -287,-0.1 -0.202 94.7 -92.7 -62.3 158.3 31.7 -51.5 17.6 639 350 B Q - 0 0 160 1,-0.1 -1,-0.1 -288,-0.0 -2,-0.1 -0.541 54.2 -91.5 -73.3 142.3 30.3 -54.1 15.1 640 351 B K - 0 0 85 -2,-0.2 -1,-0.1 -4,-0.1 -296,-0.1 -0.291 48.0-124.8 -56.5 131.8 30.2 -57.5 16.7 641 352 B P - 0 0 28 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.190 23.3 -99.6 -73.4 173.4 33.5 -59.3 15.9 642 353 B K 0 0 148 -169,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.855 360.0 360.0 -99.4 114.1 33.8 -62.7 14.2 643 354 B F 0 0 35 -2,-0.7 -168,-3.9 -169,-0.2 -167,-2.5 0.858 360.0 360.0-105.1 360.0 34.4 -65.6 16.6