==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-JUN-13 4BRH . COMPND 2 MOLECULE: ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA; . AUTHOR M.ZEBISCH,P.SCHAEFER,P.LAUBLE,N.STRAETER . 720 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29371.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 520 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 7.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 13.2 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 . 40 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 26.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.5 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 2 2 2 4 0 0 0 4 4 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 2 3 1 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 1 1 2 0 2 2 2 2 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 0 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 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 M 0 0 162 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.9 60.2 1.3 -18.7 2 35 A D - 0 0 78 1,-0.1 2,-0.3 3,-0.0 4,-0.1 -0.430 360.0-103.1 -72.7 154.0 62.4 3.1 -21.2 3 36 A T S S+ 0 0 123 1,-0.3 4,-0.1 -2,-0.1 -1,-0.1 -0.678 113.7 10.7 -65.8 132.6 66.1 2.6 -21.5 4 37 A N S > S- 0 0 110 -2,-0.3 3,-2.2 1,-0.1 4,-0.3 0.967 82.5-171.9 56.6 57.1 67.6 5.7 -19.7 5 38 A P G >> S+ 0 0 18 0, 0.0 3,-1.6 0, 0.0 4,-1.0 0.808 76.6 60.3 -54.0 -34.8 64.2 6.7 -18.3 6 39 A a G 34 S+ 0 0 22 1,-0.3 5,-0.1 2,-0.2 -2,-0.1 0.544 96.6 60.1 -79.0 -1.9 65.5 10.1 -17.0 7 40 A E G <4 S+ 0 0 134 -3,-2.2 -1,-0.3 -4,-0.1 3,-0.1 0.514 116.9 33.7 -91.2 -5.8 66.5 11.2 -20.5 8 41 A K T <4 S+ 0 0 153 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.2 0.414 124.9 27.2-120.6 -12.7 62.7 10.8 -21.5 9 42 A H S < S- 0 0 51 -4,-1.0 -1,-0.2 21,-0.1 21,-0.2 -0.964 88.2 -85.0-148.1 160.0 60.9 11.8 -18.3 10 43 A S E -A 29 0A 61 19,-1.6 19,-2.4 -2,-0.3 2,-0.3 -0.425 46.9-164.9 -65.4 148.9 61.2 14.0 -15.2 11 44 A a E +A 28 0A 11 17,-0.2 2,-0.3 -5,-0.1 17,-0.2 -0.987 13.3 178.6-138.4 148.6 63.1 12.3 -12.3 12 45 A I E -A 27 0A 0 15,-1.9 15,-2.6 -2,-0.3 2,-0.5 -0.987 20.7-136.9-146.1 148.0 63.5 12.9 -8.6 13 46 A A E -Ab 26 80A 0 66,-2.9 68,-2.3 -2,-0.3 2,-0.5 -0.933 18.7-173.9-103.4 132.6 65.4 11.1 -5.8 14 47 A V E -Ab 25 81A 0 11,-2.8 11,-2.3 -2,-0.5 2,-0.5 -0.996 7.7-158.1-128.2 128.3 63.7 10.8 -2.4 15 48 A I E -Ab 24 82A 0 66,-2.9 68,-2.4 -2,-0.5 2,-0.9 -0.936 6.1-155.1-108.3 122.6 65.6 9.3 0.5 16 49 A D E -Ab 23 83A 5 7,-2.7 7,-2.2 -2,-0.5 2,-1.3 -0.874 10.3-167.4 -90.8 107.1 63.6 7.8 3.4 17 50 A A E +Ab 22 84A 2 66,-2.7 68,-2.2 -2,-0.9 71,-0.3 -0.691 22.5 175.4 -99.6 84.2 66.1 8.1 6.3 18 51 A G - 0 0 4 3,-1.7 34,-0.6 -2,-1.3 3,-0.4 -0.233 45.9 -99.3 -88.3 174.2 64.3 5.8 8.8 19 52 A S S S+ 0 0 27 1,-0.2 32,-0.6 32,-0.1 35,-0.1 0.819 121.7 36.3 -65.8 -27.8 65.3 4.7 12.3 20 53 A T S S- 0 0 53 1,-0.3 2,-0.3 30,-0.2 -1,-0.2 0.540 130.1 -31.4-104.1 -5.9 66.5 1.3 11.0 21 54 A G - 0 0 0 -3,-0.4 -3,-1.7 28,-0.2 2,-0.4 -0.959 59.9 -95.1 171.9 173.2 68.1 2.3 7.7 22 55 A S E -AC 17 48A 0 26,-2.0 26,-2.9 28,-0.3 2,-0.5 -0.923 26.5-161.7-116.9 143.4 68.0 4.7 4.7 23 56 A R E -AC 16 47A 50 -7,-2.2 -7,-2.7 -2,-0.4 2,-0.5 -0.966 3.9-157.3-129.3 113.9 66.3 3.9 1.4 24 57 A L E -AC 15 46A 0 22,-3.1 22,-2.2 -2,-0.5 2,-0.4 -0.775 14.0-177.3 -85.6 128.2 67.1 5.8 -1.8 25 58 A H E -AC 14 45A 0 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.5 -0.998 12.7-162.2-117.8 142.4 64.4 5.8 -4.4 26 59 A I E -AC 13 44A 0 18,-2.5 17,-3.0 -2,-0.4 18,-1.3 -0.981 15.1-168.0-118.7 129.5 64.6 7.4 -7.8 27 60 A Y E -AC 12 42A 5 -15,-2.6 -15,-1.9 -2,-0.5 2,-0.3 -0.942 12.4-154.7-117.4 133.6 61.3 7.9 -9.6 28 61 A S E +AC 11 41A 8 13,-2.7 13,-2.7 -2,-0.4 2,-0.3 -0.796 27.7 163.8 -94.2 150.0 60.6 8.9 -13.1 29 62 A Y E -A 10 0A 22 -19,-2.4 -19,-1.6 -2,-0.3 2,-0.2 -0.992 30.9-141.1-155.5 162.5 57.3 10.6 -13.8 30 63 A D E - C 0 38A 51 8,-2.7 8,-2.3 -2,-0.3 2,-0.4 -0.583 26.9-129.1-108.0 178.3 55.3 12.7 -16.3 31 64 A T E - C 0 37A 50 6,-0.3 2,-0.0 -2,-0.2 -2,-0.0 -0.987 8.3-139.6-132.0 149.8 53.0 15.6 -15.4 32 65 A D > - 0 0 48 4,-2.4 3,-2.2 -2,-0.4 6,-0.0 -0.075 53.3 -65.7 -85.3-163.7 49.5 16.5 -16.2 33 66 A D T 3 S+ 0 0 171 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.667 135.5 48.2 -56.1 -24.2 48.0 19.9 -17.1 34 67 A T T 3 S- 0 0 97 2,-0.1 -1,-0.3 3,-0.0 148,-0.0 0.288 119.2-107.9-101.1 9.1 48.7 21.2 -13.6 35 68 A N S < S+ 0 0 114 -3,-2.2 -2,-0.1 1,-0.3 3,-0.0 0.756 71.8 149.0 66.1 25.8 52.3 20.0 -13.6 36 69 A T - 0 0 5 1,-0.1 -4,-2.4 322,-0.0 -1,-0.3 -0.778 53.9-102.8 -87.3 133.0 51.2 17.3 -11.1 37 70 A P E +C 31 0A 3 0, 0.0 2,-0.3 0, 0.0 -6,-0.3 -0.247 45.8 168.8 -57.4 138.4 53.2 14.0 -11.4 38 71 A I E +C 30 0A 30 -8,-2.3 -8,-2.7 1,-0.1 3,-0.1 -0.912 57.9 35.5-135.6 166.0 51.5 11.0 -13.1 39 72 A H E S- 0 0 115 -2,-0.3 2,-0.3 -10,-0.2 -1,-0.1 0.878 76.0-172.2 56.6 39.4 52.9 7.7 -14.2 40 73 A I E + 0 0 4 -11,-0.1 2,-0.4 -3,-0.1 -11,-0.2 -0.493 6.6 177.7 -65.6 124.4 55.3 7.6 -11.2 41 74 A E E -C 28 0A 106 -13,-2.7 -13,-2.7 -2,-0.3 2,-0.5 -0.996 29.9-129.4-133.5 132.8 57.6 4.7 -11.6 42 75 A E E +C 27 0A 64 -2,-0.4 -15,-0.3 -15,-0.2 3,-0.1 -0.696 28.3 172.8 -79.3 124.9 60.5 3.7 -9.4 43 76 A I E + 0 0 29 -17,-3.0 2,-0.3 -2,-0.5 -16,-0.2 0.560 66.0 18.9-107.7 -10.7 63.6 3.2 -11.6 44 77 A W E +C 26 0A 72 -18,-1.3 -18,-2.5 29,-0.0 2,-0.3 -0.970 58.2 178.9-154.8 146.3 66.2 2.7 -8.8 45 78 A N E +C 25 0A 38 -2,-0.3 2,-0.3 -20,-0.2 -20,-0.2 -0.991 0.7 177.9-144.1 139.3 66.1 1.7 -5.2 46 79 A K E -C 24 0A 47 -22,-2.2 -22,-3.1 -2,-0.3 2,-0.5 -0.951 8.2-166.2-143.0 125.3 69.0 1.2 -2.7 47 80 A K E +C 23 0A 114 -2,-0.3 2,-0.3 -24,-0.2 -24,-0.2 -0.964 10.1 178.6-112.2 130.0 68.5 0.3 0.9 48 81 A I E -C 22 0A 13 -26,-2.9 -26,-2.0 -2,-0.5 -2,-0.0 -0.894 18.2-108.6-126.3 153.9 71.3 0.6 3.5 49 82 A K S S+ 0 0 140 -2,-0.3 2,-0.2 -28,-0.2 -28,-0.2 -0.927 71.3 41.0-123.4 156.4 71.6 -0.0 7.3 50 83 A P S S- 0 0 29 0, 0.0 -28,-0.3 0, 0.0 -30,-0.2 0.554 87.3 -93.9 -89.3-168.1 71.9 1.2 10.0 51 84 A G > - 0 0 2 -32,-0.6 3,-1.1 -30,-0.2 4,-0.4 -0.324 27.6-119.3 -67.1 153.0 69.8 4.3 10.4 52 85 A F G > S+ 0 0 1 -34,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.889 112.5 56.8 -58.8 -40.9 71.3 7.7 9.7 53 86 A A G 3 S+ 0 0 17 -35,-0.3 -1,-0.3 1,-0.3 -34,-0.1 0.710 98.3 64.2 -68.3 -16.2 70.7 8.9 13.3 54 87 A S G < S+ 0 0 73 -3,-1.1 -1,-0.3 -35,-0.1 -2,-0.2 0.604 86.1 86.6 -87.4 -6.6 72.8 6.0 14.6 55 88 A I S < S- 0 0 18 -3,-1.5 360,-0.0 -4,-0.4 7,-0.0 -0.460 87.3-108.9 -87.1 159.7 76.1 7.1 13.0 56 89 A Q - 0 0 101 -2,-0.1 2,-0.9 1,-0.0 5,-0.2 -0.814 40.5-126.9 -85.2 119.0 78.5 9.5 14.7 57 90 A P + 0 0 31 0, 0.0 2,-0.3 0, 0.0 43,-0.0 -0.491 57.5 120.0 -82.1 110.1 78.2 12.6 12.6 58 91 A N S > S- 0 0 65 -2,-0.9 4,-2.4 41,-0.1 5,-0.3 -0.912 75.7 -92.0-150.0 170.8 81.5 13.9 11.3 59 92 A S H > S+ 0 0 69 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.859 121.7 47.2 -56.4 -40.7 82.8 14.5 7.8 60 93 A V H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.944 115.6 42.4 -68.4 -51.0 84.4 11.0 7.5 61 94 A T H > S+ 0 0 47 -5,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.837 116.3 48.8 -67.4 -35.7 81.4 9.0 8.7 62 95 A I H X S+ 0 0 1 -4,-2.4 4,-3.1 2,-0.2 5,-0.4 0.941 111.4 49.8 -71.8 -44.6 78.9 11.1 6.7 63 96 A D H X S+ 0 0 76 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.947 111.7 48.8 -55.9 -45.8 80.9 10.8 3.5 64 97 A A H X S+ 0 0 54 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.920 115.0 45.0 -61.5 -40.5 81.1 7.0 4.0 65 98 A Y H X S+ 0 0 15 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.945 115.4 44.4 -70.3 -49.4 77.3 6.8 4.6 66 99 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.4 0.879 112.5 52.8 -65.5 -34.7 76.3 9.0 1.7 67 100 A T H X S+ 0 0 59 -4,-2.6 4,-2.6 -5,-0.4 5,-0.4 0.965 110.9 47.5 -64.5 -45.3 78.8 7.3 -0.7 68 101 A M H < S+ 0 0 104 -4,-2.1 4,-0.2 -5,-0.3 -2,-0.2 0.885 117.7 42.4 -60.0 -38.8 77.3 3.9 0.2 69 102 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.871 131.6 16.5 -77.4 -37.4 73.8 5.1 -0.2 70 103 A L H >< S+ 0 0 0 -4,-2.7 3,-1.8 -5,-0.1 -3,-0.2 0.676 95.5 86.4-111.8 -28.3 74.2 7.2 -3.4 71 104 A A T 3< S+ 0 0 54 -4,-2.6 -3,-0.1 -5,-0.4 -4,-0.1 0.830 93.0 45.8 -57.6 -39.1 77.4 6.5 -5.4 72 105 A D T 3 S+ 0 0 86 -5,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.404 79.6 127.9 -88.5 5.4 76.2 3.6 -7.5 73 106 A A < - 0 0 8 -3,-1.8 3,-0.1 1,-0.1 -29,-0.0 -0.344 64.3-129.3 -59.1 144.2 72.9 5.2 -8.5 74 107 A P S S+ 0 0 86 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.713 92.4 27.9 -71.9 -23.7 72.5 5.1 -12.4 75 108 A I + 0 0 21 1,-0.1 3,-0.1 3,-0.0 37,-0.0 -0.997 55.5 167.9-139.5 136.0 71.7 8.8 -12.6 76 109 A H + 0 0 49 -2,-0.3 2,-1.7 1,-0.1 38,-0.2 0.548 56.4 90.4-119.6 -19.7 72.8 11.6 -10.2 77 110 A N S S+ 0 0 82 36,-0.2 36,-0.2 2,-0.0 -1,-0.1 -0.352 72.9 93.9 -85.7 60.6 71.9 15.0 -12.0 78 111 A I S S- 0 0 9 -2,-1.7 36,-2.6 -3,-0.1 -66,-0.1 -0.923 84.3 -79.3-144.9 160.7 68.5 15.2 -10.4 79 112 A P E - d 0 114A 24 0, 0.0 -66,-2.9 0, 0.0 2,-0.4 -0.403 44.2-156.0 -66.9 145.4 66.8 16.9 -7.4 80 113 A V E -bd 13 115A 0 34,-2.3 36,-3.0 -68,-0.2 37,-1.1 -0.983 13.0-167.3-126.5 133.9 67.1 15.1 -4.0 81 114 A Y E -bd 14 117A 18 -68,-2.3 -66,-2.9 -2,-0.4 2,-0.6 -0.977 5.3-167.2-113.5 124.3 65.0 15.2 -1.0 82 115 A F E +bd 15 118A 0 35,-2.9 37,-2.2 -2,-0.5 2,-0.5 -0.950 13.9 176.7-111.5 107.6 66.6 13.7 2.2 83 116 A Y E -bd 16 119A 20 -68,-2.4 -66,-2.7 -2,-0.6 2,-0.3 -0.961 11.1-162.2-119.8 113.8 63.8 13.3 4.8 84 117 A A E -bd 17 120A 0 35,-2.4 37,-2.6 -2,-0.5 -66,-0.2 -0.680 9.4-170.0 -94.7 149.7 64.6 11.6 8.1 85 118 A T >> - 0 0 6 -68,-2.2 4,-1.5 -2,-0.3 3,-0.9 0.180 53.1 -22.1-113.6-133.0 61.8 10.3 10.3 86 119 A A H 3> S+ 0 0 2 1,-0.3 4,-1.0 2,-0.2 -68,-0.1 0.763 121.8 64.0 -67.0 -26.3 61.6 8.9 13.9 87 120 A G H >4 S+ 0 0 9 1,-0.2 3,-0.6 -70,-0.2 -1,-0.3 0.920 110.5 39.6 -57.7 -46.2 65.2 8.0 14.4 88 121 A M H X4 S+ 0 0 3 -3,-0.9 3,-1.9 -71,-0.3 -1,-0.2 0.809 106.2 65.8 -74.0 -29.0 66.3 11.6 14.1 89 122 A R H 3< S+ 0 0 4 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.704 89.5 68.1 -66.0 -18.5 63.2 12.8 16.1 90 123 A L T << S+ 0 0 17 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.629 94.5 70.5 -69.8 -15.6 64.7 11.0 19.1 91 124 A L S < S- 0 0 34 -3,-1.9 2,-0.0 -4,-0.1 -38,-0.0 -0.761 90.6-110.1-102.7 146.2 67.5 13.6 19.1 92 125 A P >> - 0 0 7 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.394 34.4-108.3 -68.4 156.4 67.2 17.2 20.1 93 126 A Q H 3> S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -2,-0.0 0.872 118.7 60.6 -51.8 -41.8 67.6 19.8 17.3 94 127 A S H 3> S+ 0 0 86 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.878 110.7 39.9 -53.4 -41.4 71.0 20.9 18.6 95 128 A Q H X> S+ 0 0 69 -3,-0.9 4,-0.9 1,-0.2 3,-0.7 0.860 112.7 54.7 -78.7 -37.0 72.3 17.3 18.0 96 129 A Q H 3X S+ 0 0 21 -4,-2.4 4,-1.9 1,-0.2 3,-0.4 0.855 96.0 69.8 -62.9 -32.5 70.5 16.8 14.7 97 130 A K H 3X S+ 0 0 126 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.853 91.6 57.4 -55.7 -40.9 72.2 20.0 13.4 98 131 A K H < S+ 0 0 7 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.876 110.4 52.4 -62.6 -38.6 76.2 17.8 -1.1 108 141 A R H 3< S+ 0 0 166 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 101.9 64.2 -71.0 -22.1 77.8 21.2 -1.7 109 142 A Q T 3< S+ 0 0 111 -4,-1.7 2,-0.3 -3,-0.3 -1,-0.2 0.427 101.3 55.7 -75.4 -4.4 81.2 19.3 -2.3 110 143 A Q < - 0 0 51 -3,-1.3 0, 0.0 -4,-0.2 0, 0.0 -0.788 69.3-145.9-129.6 170.9 79.9 17.6 -5.4 111 144 A S S S+ 0 0 103 -2,-0.3 -3,-0.1 3,-0.0 3,-0.1 0.264 80.5 57.0-128.9 13.5 78.3 18.8 -8.6 112 145 A Q S S+ 0 0 95 -5,-0.1 -5,-0.0 1,-0.1 -36,-0.0 0.804 84.6 69.1-107.8 -67.6 75.7 16.2 -9.7 113 146 A W S S- 0 0 11 -36,-0.2 2,-0.8 1,-0.1 -36,-0.2 -0.346 70.9-144.8 -56.0 140.5 73.1 15.6 -7.1 114 147 A Q E -d 79 0A 105 -36,-2.6 -34,-2.3 -38,-0.2 2,-0.4 -0.823 12.8-150.6-111.9 88.2 70.8 18.7 -6.6 115 148 A L E +d 80 0A 51 -2,-0.8 -34,-0.2 -36,-0.2 3,-0.1 -0.461 22.0 172.9 -66.0 118.2 69.9 18.8 -2.9 116 149 A V E - 0 0 71 -36,-3.0 2,-0.3 -2,-0.4 -35,-0.2 0.901 66.4 -16.7 -85.9 -51.5 66.5 20.4 -2.5 117 150 A E E -d 81 0A 77 -37,-1.1 -35,-2.9 2,-0.1 2,-0.4 -0.980 48.3-169.0-155.2 145.2 66.0 19.8 1.2 118 151 A A E +d 82 0A 17 -2,-0.3 2,-0.3 -37,-0.2 -35,-0.2 -0.947 40.2 123.5-134.6 114.1 67.5 17.7 3.9 119 152 A K E -d 83 0A 73 -37,-2.2 -35,-2.4 -2,-0.4 2,-0.5 -0.977 62.8 -94.9-159.4 170.1 65.5 17.7 7.1 120 153 A T E -d 84 0A 32 -2,-0.3 2,-0.2 -37,-0.2 -35,-0.2 -0.853 41.7-147.6 -95.0 128.3 63.7 15.7 9.8 121 154 A I - 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0 0 85 0, 0.0 2,-0.5 0, 0.0 -109,-0.2 -0.145 10.9-136.6 -66.2 148.6 64.4 -0.2 55.6 618 291 B V - 0 0 18 1,-0.1 -109,-0.2 -5,-0.1 3,-0.1 -0.853 11.4-166.1-102.4 132.0 67.4 1.5 54.4 619 292 B N S S+ 0 0 64 -111,-1.6 2,-0.4 -2,-0.5 -110,-0.2 0.784 77.0 25.1 -81.9 -35.3 69.1 4.0 56.6 620 293 B E E -r 509 0F 68 -112,-1.9 -110,-2.9 78,-0.0 2,-0.4 -0.996 67.4-157.7-135.1 130.2 71.4 5.6 54.0 621 294 B W E -rv 510 700F 9 78,-0.6 80,-2.6 -2,-0.4 2,-0.4 -0.916 7.4-172.7-108.6 136.4 70.9 5.8 50.2 622 295 B Y E -rv 511 701F 42 -112,-2.3 -110,-2.0 -2,-0.4 2,-0.4 -0.972 5.8-165.7-123.3 139.8 73.8 6.3 47.8 623 296 B S E -rv 512 702F 0 78,-1.8 80,-2.4 -2,-0.4 2,-0.3 -0.954 8.0-179.4-128.3 144.2 73.3 6.9 44.1 624 297 B I E +r 513 0F 4 -112,-2.1 -110,-2.9 -2,-0.4 3,-0.3 -0.853 45.3 48.2-130.6 167.6 75.6 6.8 41.1 625 298 B G E >> S-r 514 0F 30 -2,-0.3 3,-1.7 84,-0.2 4,-0.8 -0.695 108.9 -12.1 102.1-155.7 75.0 7.4 37.4 626 299 B G H 3> S+ 0 0 14 -112,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.715 121.7 68.9 -60.0 -29.4 73.2 10.2 35.6 627 300 B I H 3> S+ 0 0 0 -3,-0.3 4,-2.7 1,-0.2 -1,-0.3 0.861 95.0 56.7 -60.9 -33.0 71.6 11.7 38.7 628 301 B S H <> S+ 0 0 3 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.916 108.2 47.9 -63.1 -40.8 75.1 12.8 39.9 629 302 B N H < S+ 0 0 95 -4,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.930 113.7 46.6 -65.5 -42.4 75.5 14.8 36.6 630 303 B L H >< S+ 0 0 5 -4,-2.4 3,-0.9 1,-0.2 6,-0.3 0.906 113.5 46.9 -68.3 -39.7 72.1 16.4 36.9 631 304 B A H 3< S+ 0 0 2 -4,-2.7 7,-0.3 1,-0.2 -1,-0.2 0.817 115.1 48.2 -72.8 -24.2 72.5 17.3 40.6 632 305 B S T 3< S+ 0 0 57 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.384 90.3 112.0 -91.3 -5.4 76.0 18.7 39.9 633 306 B S S X S- 0 0 15 -3,-0.9 3,-0.7 -4,-0.3 -3,-0.1 -0.170 83.2-108.0 -71.2 167.4 74.9 20.7 36.9 634 307 B Q T 3 S+ 0 0 146 1,-0.2 -1,-0.1 3,-0.1 -4,-0.1 0.729 115.5 59.7 -63.6 -19.0 74.8 24.5 36.8 635 308 B L T 3 S+ 0 0 5 -5,-0.1 2,-0.3 33,-0.0 -1,-0.2 0.773 100.8 57.5 -84.6 -23.0 71.0 24.5 36.9 636 309 B F < - 0 0 6 -3,-0.7 2,-0.5 -6,-0.3 12,-0.1 -0.711 66.5-151.0-112.3 154.6 70.6 22.7 40.2 637 310 B H + 0 0 133 -2,-0.3 2,-0.4 2,-0.0 -5,-0.1 -0.952 27.1 153.7-131.0 108.0 71.9 23.7 43.6 638 311 B F - 0 0 31 -2,-0.5 3,-0.3 -7,-0.3 2,-0.3 -0.998 27.3-144.1-133.3 143.1 72.7 21.0 46.2 639 312 B E S > S+ 0 0 147 -2,-0.4 3,-1.4 3,-0.2 -2,-0.0 -0.684 75.4 13.7 -98.4 153.6 75.1 21.0 49.1 640 313 B N T 3 S- 0 0 126 1,-0.3 -1,-0.2 -2,-0.3 3,-0.1 0.676 118.2 -76.1 62.2 27.4 77.2 18.1 50.5 641 314 B S T 3 S+ 0 0 45 -3,-0.3 61,-2.5 1,-0.2 2,-0.3 0.872 106.3 109.2 51.4 41.5 76.7 15.9 47.5 642 315 B E E < +W 701 0F 60 -3,-1.4 2,-0.3 59,-0.2 59,-0.2 -0.992 42.0 179.7-143.5 156.6 73.2 15.0 48.6 643 316 B L E -W 700 0F 4 57,-2.4 57,-3.3 -2,-0.3 2,-0.4 -0.866 20.7-134.3-141.8 169.1 69.6 15.8 47.5 644 317 B T E > -W 699 0F 32 -2,-0.3 4,-2.7 55,-0.2 5,-0.2 -0.959 24.2-126.5-119.9 156.3 66.1 15.1 48.4 645 318 B N H > S+ 0 0 0 53,-0.5 4,-2.7 50,-0.4 5,-0.3 0.881 110.3 57.6 -66.2 -34.4 63.5 14.2 45.9 646 319 B Q H > S+ 0 0 82 50,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.953 111.3 42.2 -61.2 -46.9 61.2 17.0 47.0 647 320 B S H > S+ 0 0 29 49,-0.4 4,-2.7 1,-0.2 5,-0.3 0.891 112.2 54.2 -65.9 -42.4 64.0 19.5 46.3 648 321 B L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.925 111.3 44.9 -58.5 -45.4 64.9 17.9 43.0 649 322 B L H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.926 114.2 48.8 -65.2 -43.8 61.3 18.1 41.7 650 323 B Q H X S+ 0 0 93 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.919 112.2 48.3 -63.1 -42.1 60.8 21.7 42.9 651 324 B Q H X S+ 0 0 19 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.911 113.2 47.3 -67.4 -42.6 64.1 22.8 41.3 652 325 B G H X>S+ 0 0 0 -4,-2.3 5,-2.9 -5,-0.3 4,-1.7 0.929 113.4 49.5 -61.0 -43.5 63.3 21.1 38.0 653 326 B D H <>S+ 0 0 24 -4,-2.6 5,-2.1 3,-0.2 -2,-0.2 0.930 122.3 29.9 -63.6 -48.0 59.8 22.6 38.0 654 327 B N H <5S+ 0 0 93 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.828 124.4 43.3 -86.5 -33.4 60.9 26.2 38.7 655 328 B Q H <5S+ 0 0 63 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.667 136.4 2.8 -89.0 -16.8 64.3 26.4 37.1 656 329 B I T ><5S+ 0 0 1 -4,-1.7 3,-1.7 -5,-0.4 -82,-0.4 0.590 122.9 54.2-129.6 -60.7 63.5 24.5 33.9 657 330 B f T 3 -x 574 0G 71 -2,-0.2 4,-2.5 -87,-0.2 5,-0.3 -0.739 30.9-139.5 -86.5 125.1 60.9 29.9 28.4 661 334 B W H > S+ 0 0 33 -87,-3.1 4,-3.1 -2,-0.5 5,-0.3 0.880 95.3 46.4 -54.1 -51.6 63.0 27.5 26.4 662 335 B D H > S+ 0 0 112 -88,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.903 115.8 48.0 -66.6 -33.8 64.8 29.9 24.0 663 336 B I H > S+ 0 0 98 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.936 116.0 42.4 -63.1 -51.8 65.7 32.2 26.9 664 337 B L H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.898 112.1 54.4 -66.2 -39.3 67.0 29.4 29.1 665 338 B N H < S+ 0 0 73 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.926 110.2 47.1 -61.2 -42.8 68.8 27.7 26.2 666 339 B G H < S+ 0 0 58 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.840 111.5 52.1 -68.4 -35.1 70.7 31.0 25.5 667 340 B Q H < S+ 0 0 117 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 118.7 34.8 -68.0 -32.2 71.5 31.4 29.2 668 341 B Y >< + 0 0 75 -4,-1.9 3,-0.6 -5,-0.1 -1,-0.2 -0.637 65.7 154.9-127.3 68.7 73.0 27.9 29.6 669 342 B P T 3 + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.673 62.7 67.0 -72.5 -15.0 74.8 26.9 26.4 670 343 B D T 3 S+ 0 0 152 1,-0.1 2,-0.4 2,-0.0 -2,-0.0 -0.091 78.5 83.1-107.2 38.0 77.2 24.4 27.9 671 344 B D X - 0 0 36 -3,-0.6 3,-1.9 1,-0.1 4,-0.3 -0.832 54.3-165.7-138.8 107.7 75.0 21.7 29.0 672 345 B E T 3 S+ 0 0 141 -2,-0.4 3,-0.3 1,-0.3 -1,-0.1 0.687 90.8 49.9 -66.1 -23.5 74.0 19.1 26.4 673 346 B Y T > S+ 0 0 102 1,-0.2 3,-2.3 2,-0.1 4,-0.3 0.390 75.4 108.7 -95.0 5.8 71.2 17.7 28.5 674 347 B L G X S+ 0 0 2 -3,-1.9 3,-2.0 1,-0.3 4,-0.4 0.866 73.8 59.7 -50.9 -42.3 69.6 21.1 29.4 675 348 B Y G 3 S+ 0 0 27 -3,-0.3 -102,-0.3 1,-0.3 -1,-0.3 0.738 107.9 45.3 -63.0 -20.3 66.6 20.4 27.2 676 349 B Q G <> S+ 0 0 9 -3,-2.3 4,-3.2 1,-0.2 -1,-0.3 0.331 81.0 100.5 -99.3 5.1 65.8 17.2 29.3 677 350 B Y H <> S+ 0 0 9 -3,-2.0 4,-2.1 -4,-0.3 5,-0.2 0.813 82.1 50.2 -70.2 -28.1 66.2 18.7 32.8 678 351 B f H > S+ 0 0 0 -4,-0.4 4,-1.9 -3,-0.2 -1,-0.2 0.960 116.8 42.7 -68.0 -47.3 62.4 19.1 33.3 679 352 B L H > S+ 0 0 0 -108,-0.8 4,-3.1 -4,-0.3 -2,-0.2 0.919 114.6 50.1 -61.5 -45.2 61.9 15.5 32.3 680 353 B L H X S+ 0 0 4 -4,-3.2 4,-2.6 2,-0.2 5,-0.2 0.900 109.4 48.7 -65.1 -44.7 64.9 14.1 34.2 681 354 B S H X S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.919 115.5 47.0 -60.6 -42.1 64.0 15.8 37.5 682 355 B S H X S+ 0 0 0 -4,-1.9 4,-2.9 -5,-0.2 -2,-0.2 0.898 112.2 50.3 -63.4 -43.7 60.4 14.4 37.1 683 356 B Y H X S+ 0 0 0 -4,-3.1 4,-2.8 2,-0.2 -2,-0.2 0.900 107.2 50.8 -64.1 -44.7 61.7 11.0 36.2 684 357 B Y H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.898 113.6 47.4 -63.3 -40.9 64.1 10.5 39.1 685 358 B Y H X>S+ 0 0 32 -4,-1.7 4,-2.7 -5,-0.2 5,-1.0 0.949 111.8 49.8 -59.9 -48.0 61.2 11.5 41.5 686 359 B A H <>S+ 0 0 0 -4,-2.9 5,-1.6 3,-0.2 -2,-0.2 0.916 116.4 43.4 -56.8 -45.4 58.8 9.1 39.7 687 360 B L H <>S+ 0 0 0 -4,-2.8 5,-2.5 3,-0.2 6,-0.2 0.971 123.2 33.1 -64.2 -52.6 61.4 6.3 40.0 688 361 B M H <5S+ 0 0 0 -4,-3.0 6,-2.8 3,-0.2 5,-0.2 0.903 131.5 27.3 -77.5 -40.1 62.5 6.9 43.6 689 362 B V T X5S+ 0 0 17 -4,-2.7 4,-0.6 -5,-0.3 -3,-0.2 0.967 132.0 29.2 -88.8 -61.4 59.3 8.1 45.2 690 363 B D T 4 - 0 0 93 1,-0.1 3,-1.8 -2,-0.1 -50,-0.4 -0.444 21.6-128.4 -62.6 133.9 60.1 9.5 51.1 696 369 B P T 3 S+ 0 0 31 0, 0.0 -50,-2.7 0, 0.0 -49,-0.4 0.719 109.2 50.1 -56.2 -21.8 60.4 12.7 49.2 697 370 B N T 3 S+ 0 0 92 -52,-0.2 2,-0.3 -53,-0.2 -2,-0.1 0.437 82.7 113.3 -96.0 -1.6 62.3 14.3 52.2 698 371 B Q S < S- 0 0 60 -3,-1.8 -53,-0.5 1,-0.1 2,-0.1 -0.523 74.2-113.8 -71.8 131.7 64.8 11.4 52.6 699 372 B T E - W 0 644F 44 -2,-0.3 -78,-0.6 -55,-0.1 2,-0.5 -0.433 27.7-163.4 -64.4 134.5 68.4 12.4 51.9 700 373 B I E -vW 621 643F 0 -57,-3.3 -57,-2.4 -2,-0.1 2,-0.2 -0.986 9.8-147.9-119.0 112.5 69.9 10.7 48.8 701 374 B H E -vW 622 642F 32 -80,-2.6 -78,-1.8 -2,-0.5 2,-0.4 -0.615 12.3-162.3 -74.8 141.8 73.6 10.9 48.6 702 375 B Y E -v 623 0F 12 -61,-2.5 -78,-0.2 -2,-0.2 -80,-0.0 -0.992 20.8-120.6-122.8 140.6 75.1 11.0 45.1 703 376 B I - 0 0 17 -80,-2.4 -78,-0.1 -2,-0.4 5,-0.1 -0.577 40.4-102.3 -78.2 132.5 78.7 10.3 44.3 704 377 B P > - 0 0 18 0, 0.0 3,-1.8 0, 0.0 5,-0.4 -0.323 24.0-129.5 -56.9 136.7 80.3 13.3 42.7 705 378 B P G > S+ 0 0 32 0, 0.0 3,-1.9 0, 0.0 -76,-0.1 0.820 104.1 68.5 -58.6 -30.3 80.6 12.7 38.9 706 379 B E G 3 S+ 0 0 138 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.709 88.3 65.0 -58.2 -27.7 84.4 13.6 39.0 707 380 B Q G < S- 0 0 104 -3,-1.8 -1,-0.3 2,-0.1 3,-0.2 0.662 91.4-147.6 -71.2 -17.7 85.1 10.4 41.0 708 381 B N < + 0 0 48 -3,-1.9 2,-1.0 -4,-0.3 -2,-0.1 0.882 31.7 173.0 53.2 37.3 84.1 8.3 38.0 709 382 B L + 0 0 26 -5,-0.4 -84,-0.2 -84,-0.1 -1,-0.2 -0.712 6.3 153.1 -86.1 107.0 82.8 5.7 40.5 710 383 B D > - 0 0 19 -2,-1.0 3,-0.5 -3,-0.2 4,-0.1 -0.359 61.5 -81.9-112.4-159.3 81.0 2.9 38.6 711 384 B W T >> S+ 0 0 2 1,-0.2 3,-1.2 -2,-0.2 4,-0.6 0.364 95.7 104.4 -88.3 1.7 80.5 -0.7 39.7 712 385 B T H >> S+ 0 0 0 1,-0.3 4,-1.3 2,-0.2 3,-1.0 0.803 70.2 61.9 -64.2 -28.4 84.0 -1.9 38.5 713 386 B I H <> S+ 0 0 9 -3,-0.5 4,-2.3 1,-0.2 -1,-0.3 0.838 95.5 65.9 -60.3 -33.0 85.6 -2.2 42.0 714 387 B G H <> S+ 0 0 0 -3,-1.2 4,-2.4 -225,-0.3 -1,-0.2 0.858 98.6 50.9 -52.8 -35.1 82.8 -4.8 42.6 715 388 B V H < S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.864 111.3 56.3 -76.1 -39.1 86.3 -7.8 44.9 718 391 B H H >< S+ 0 0 69 -4,-2.4 3,-1.8 1,-0.3 -1,-0.2 0.823 92.7 64.0 -77.3 -28.9 83.8 -10.4 43.9 719 392 B R T 3< S+ 0 0 92 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.1 0.757 101.7 53.6 -74.9 -13.0 85.9 -12.9 42.0 720 393 B A T < 0 0 42 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.551 360.0 360.0 -89.6 -8.9 87.9 -13.7 45.1 721 394 B L < 0 0 74 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.767 360.0 360.0 -91.7 360.0 84.6 -14.5 47.0