==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-JUN-02 1M38 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR I.P.KURANOVA,K.M.POLYAKOV,V.M.LEVDIKOV,E.A.SMIRNOVA, . 564 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23433.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 368 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 5.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 122 21.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 6 1.1 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 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 76 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.4 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 0 0 1 2 0 0 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 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 0 PARALLEL BRIDGES PER LADDER . 4 10 6 2 2 3 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 1 0 2 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 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 1 A T 0 0 137 0, 0.0 21,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 136.3 3.9 26.6 1.8 2 2 A Y E +A 21 0A 61 19,-0.2 2,-0.2 132,-0.2 19,-0.2 -0.788 360.0 164.4 -89.4 140.8 2.2 23.7 3.6 3 3 A T E -A 20 0A 59 17,-1.7 17,-2.6 -2,-0.4 2,-0.3 -0.694 30.9-111.2-134.5-178.6 2.7 23.2 7.3 4 4 A T E -A 19 0A 52 -2,-0.2 2,-0.5 15,-0.2 15,-0.2 -0.871 9.4-150.9-120.9 156.0 0.8 21.1 9.9 5 5 A R E -A 18 0A 35 13,-2.4 13,-2.4 -2,-0.3 2,-0.4 -0.965 19.1-160.0-123.3 113.3 -1.5 22.0 12.8 6 6 A Q E -A 17 0A 44 -2,-0.5 259,-2.7 11,-0.2 2,-0.5 -0.828 7.3-166.5-102.7 136.6 -1.4 19.4 15.6 7 7 A I E -Ab 16 265A 25 9,-2.4 9,-2.0 -2,-0.4 257,-0.1 -0.950 58.6 -20.2-119.2 117.5 -4.2 19.0 18.1 8 8 A G E S- b 0 266A 3 257,-1.7 259,-1.8 -2,-0.5 2,-0.4 -0.001 96.9 -37.2 83.7-171.7 -3.3 16.9 21.2 9 9 A A E > - b 0 267A 11 257,-0.2 3,-0.9 260,-0.1 6,-0.4 -0.750 59.8-109.2 -91.5 141.2 -0.7 14.2 21.8 10 10 A K T 3 S+ 0 0 66 257,-0.6 260,-2.6 -2,-0.4 3,-0.1 -0.383 104.1 32.1 -62.4 148.9 0.4 11.6 19.1 11 11 A N T 3 S+ 0 0 16 1,-0.3 2,-0.3 258,-0.2 -1,-0.2 0.670 99.7 104.0 75.8 29.4 -0.8 8.1 19.9 12 12 A T S X S- 0 0 29 -3,-0.9 3,-0.8 1,-0.0 -1,-0.3 -0.889 81.8-114.5-132.2 163.2 -4.0 9.3 21.7 13 13 A L T 3 S+ 0 0 91 -2,-0.3 57,-0.1 1,-0.2 -3,-0.0 0.742 114.0 55.9 -70.3 -21.7 -7.6 9.3 20.5 14 14 A E T 3 S+ 0 0 120 -5,-0.1 -1,-0.2 55,-0.1 -7,-0.1 0.557 79.4 119.2 -88.8 -11.4 -7.7 13.2 20.5 15 15 A Y < + 0 0 3 -3,-0.8 55,-0.5 -6,-0.4 2,-0.3 -0.298 35.1 167.3 -57.7 134.0 -4.7 13.5 18.2 16 16 A K E -A 7 0A 53 -9,-2.0 -9,-2.4 53,-0.1 2,-0.5 -0.994 20.8-161.6-147.0 144.4 -5.5 15.3 14.9 17 17 A V E -AC 6 68A 3 51,-2.1 51,-3.0 -2,-0.3 2,-0.3 -0.951 9.6-172.6-131.9 113.6 -3.2 16.7 12.2 18 18 A Y E -A 5 0A 9 -13,-2.4 -13,-2.4 -2,-0.5 2,-0.4 -0.760 22.6-128.0 -96.7 146.9 -4.7 19.2 9.8 19 19 A I E -AD 4 26A 1 7,-0.5 7,-2.6 46,-0.3 2,-0.4 -0.765 28.4-161.9 -91.6 135.3 -2.6 20.5 6.8 20 20 A E E -AD 3 25A 24 -17,-2.6 -17,-1.7 -2,-0.4 2,-0.4 -0.917 16.1-160.3-116.1 151.0 -2.4 24.2 6.5 21 21 A K E > S-AD 2 24A 73 3,-2.8 3,-1.4 -2,-0.4 -19,-0.2 -0.998 88.5 -0.8-123.5 128.9 -1.5 26.5 3.6 22 22 A D T 3 S- 0 0 120 -21,-1.3 -1,-0.1 -2,-0.4 -20,-0.1 0.832 133.9 -58.9 62.4 31.5 -0.5 30.1 4.8 23 23 A G T 3 S+ 0 0 37 -22,-0.4 -1,-0.3 1,-0.2 -21,-0.1 0.603 119.0 106.8 75.6 6.1 -1.1 29.1 8.4 24 24 A K E < S-D 21 0A 92 -3,-1.4 -3,-2.8 -21,-0.0 -1,-0.2 -0.982 74.3-109.1-120.4 134.0 -4.8 28.2 7.7 25 25 A P E -D 20 0A 1 0, 0.0 -5,-0.3 0, 0.0 2,-0.3 -0.138 35.0-179.9 -60.5 144.0 -6.2 24.7 7.5 26 26 A V E -D 19 0A 5 -7,-2.6 -7,-0.5 39,-0.1 2,-0.4 -0.871 43.7 -80.5-131.2 170.4 -7.3 23.3 4.1 27 27 A S > - 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.4 -0.578 31.5-152.0 -72.7 128.0 -8.8 19.8 3.3 28 28 A A T 4 S+ 0 0 0 37,-1.7 -1,-0.2 -2,-0.4 38,-0.1 0.695 95.7 42.2 -74.4 -9.0 -6.0 17.2 3.1 29 29 A F T 4 S+ 0 0 0 68,-0.1 69,-3.2 31,-0.1 70,-0.3 0.810 128.5 20.0 -98.0 -50.8 -8.2 15.2 0.7 30 30 A H T 4 S+ 0 0 0 213,-0.2 -2,-0.2 67,-0.2 4,-0.1 0.701 118.2 51.4 -99.2 -28.2 -9.7 17.8 -1.7 31 31 A D S < S+ 0 0 3 -4,-1.9 -3,-0.1 34,-0.1 -1,-0.1 0.459 83.8 84.8 -96.9 -6.5 -7.6 21.0 -1.5 32 32 A I S S- 0 0 0 -5,-0.4 12,-0.1 -4,-0.1 14,-0.1 -0.874 87.8-116.5 -90.7 128.2 -4.0 19.9 -2.1 33 33 A P - 0 0 56 0, 0.0 11,-0.4 0, 0.0 -2,-0.1 -0.335 10.7-133.4 -62.7 140.8 -3.6 19.7 -5.9 34 34 A L S S+ 0 0 1 9,-0.1 10,-2.2 -4,-0.1 2,-0.5 0.906 92.7 52.4 -58.4 -44.4 -2.8 16.3 -7.2 35 35 A Y E +F 43 0B 45 8,-0.3 8,-0.3 1,-0.2 3,-0.2 -0.846 49.1 179.4-102.0 133.5 -0.0 17.7 -9.3 36 36 A A E S+ 0 0 40 6,-2.3 2,-0.2 -2,-0.5 7,-0.2 0.684 98.2 12.9 -87.5 -27.5 2.8 19.9 -8.2 37 37 A D E > >S-F 42 0B 60 5,-2.3 5,-2.6 1,-0.1 3,-0.7 -0.758 71.2-173.9-150.9 91.1 4.1 20.0 -11.8 38 38 A K G > 5S+ 0 0 128 1,-0.2 3,-1.4 -3,-0.2 -1,-0.1 0.930 83.3 53.6 -56.8 -47.2 1.5 18.6 -14.3 39 39 A E G 3 5S+ 0 0 91 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.766 116.8 37.7 -62.4 -28.6 3.8 18.7 -17.3 40 40 A N G < 5S- 0 0 106 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.258 110.4-118.1-106.7 10.4 6.5 16.7 -15.6 41 41 A N T < 5 + 0 0 42 -3,-1.4 98,-0.6 -4,-0.4 2,-0.6 0.861 56.3 159.9 52.9 48.3 4.1 14.4 -13.7 42 42 A I E < -FG 37 138B 24 -5,-2.6 -6,-2.3 96,-0.1 -5,-2.3 -0.878 22.8-159.4 -99.1 126.8 5.3 15.6 -10.3 43 43 A F E -FG 35 137B 0 94,-2.8 94,-2.3 -2,-0.6 2,-0.5 -0.718 19.5-123.6-108.3 156.2 2.7 14.8 -7.7 44 44 A N E - G 0 136B 9 -10,-2.2 2,-0.5 -11,-0.4 92,-0.2 -0.831 29.2-161.1 -95.0 122.0 1.9 16.1 -4.2 45 45 A M E - G 0 135B 0 90,-3.5 90,-2.1 -2,-0.5 2,-0.6 -0.967 9.9-147.1-102.1 139.0 1.9 13.2 -1.7 46 46 A V E -HG 95 134B 0 49,-2.9 49,-2.1 -2,-0.5 2,-0.4 -0.875 21.0-142.8 -97.4 116.8 0.2 13.7 1.7 47 47 A V E +H 94 0B 0 86,-3.1 85,-3.1 -2,-0.6 47,-0.3 -0.758 30.3 165.5 -87.0 131.7 2.2 11.6 4.2 48 48 A E E + 0 0 9 45,-2.6 46,-0.2 -2,-0.4 -1,-0.2 0.706 65.6 29.6-102.8 -44.8 0.2 9.8 6.8 49 49 A I E S-H 93 0B 0 44,-2.9 44,-3.2 81,-0.1 -1,-0.3 -0.968 72.4-136.1-130.2 115.2 2.6 7.2 8.4 50 50 A P > - 0 0 17 0, 0.0 3,-1.4 0, 0.0 39,-0.3 -0.371 41.5 -87.5 -64.2 149.8 6.4 7.6 8.6 51 51 A R T 3 S+ 0 0 7 1,-0.2 39,-0.2 76,-0.1 41,-0.1 -0.277 112.6 20.7 -56.7 143.0 8.6 4.5 7.8 52 52 A W T 3 S+ 0 0 14 37,-3.1 -1,-0.2 35,-0.3 2,-0.2 0.605 99.0 114.8 70.0 23.9 9.2 2.2 10.7 53 53 A T < - 0 0 46 -3,-1.4 36,-2.1 36,-0.2 -1,-0.3 -0.693 50.6-158.5-109.2 172.0 6.2 3.4 12.7 54 54 A N + 0 0 19 -2,-0.2 26,-3.1 34,-0.2 -1,-0.1 0.694 52.8 109.5-123.1 -29.7 3.0 1.4 13.6 55 55 A A B -M 79 0C 6 24,-0.3 2,-1.7 1,-0.1 24,-0.2 -0.391 67.1-133.3 -55.8 124.1 0.1 3.9 14.4 56 56 A K + 0 0 12 22,-2.4 15,-3.1 15,-0.2 2,-0.3 -0.640 35.6 177.3 -87.4 76.0 -2.4 3.6 11.5 57 57 A L E +E 70 0A 5 -2,-1.7 2,-0.3 13,-0.3 13,-0.2 -0.675 4.4 175.3 -79.0 135.3 -2.9 7.3 11.0 58 58 A E E -E 69 0A 36 11,-2.2 11,-2.3 -2,-0.3 2,-0.1 -0.998 41.2 -98.5-142.0 149.7 -5.2 8.2 8.1 59 59 A I E -E 68 0A 5 -2,-0.3 2,-0.8 9,-0.3 9,-0.3 -0.386 48.0-128.1 -53.4 133.6 -6.8 11.2 6.3 60 60 A T > - 0 0 28 7,-2.2 3,-1.0 1,-0.2 6,-0.2 -0.791 21.7-167.5 -94.9 108.5 -10.3 11.1 7.8 61 61 A K T 3 S+ 0 0 23 -2,-0.8 180,-2.4 1,-0.2 -1,-0.2 0.802 83.3 49.5 -68.3 -29.7 -12.8 11.2 5.0 62 62 A E T 3 S+ 0 0 102 178,-0.3 2,-0.4 2,-0.1 -1,-0.2 0.419 93.9 83.3 -92.6 4.9 -15.8 11.9 7.2 63 63 A E S X S- 0 0 77 -3,-1.0 3,-2.7 4,-0.2 178,-0.1 -0.832 92.2 -92.7-110.3 142.6 -14.5 14.9 9.2 64 64 A T T 3 S+ 0 0 49 -2,-0.4 -2,-0.1 1,-0.3 -1,-0.1 -0.193 112.3 6.9 -63.3 124.9 -14.5 18.5 8.0 65 65 A L T 3 S- 0 0 1 178,-0.4 -37,-1.7 1,-0.2 -46,-0.3 0.512 110.4-106.6 78.1 7.9 -11.2 19.4 6.2 66 66 A N < - 0 0 0 -3,-2.7 -1,-0.2 -39,-0.2 -2,-0.1 0.826 46.2-167.0 46.7 57.1 -10.2 15.7 6.5 67 67 A P - 0 0 0 0, 0.0 -7,-2.2 0, 0.0 2,-0.5 -0.209 29.9-100.9 -66.7 158.0 -7.5 15.9 9.2 68 68 A I E +CE 17 59A 0 -51,-3.0 -51,-2.1 -9,-0.3 2,-0.3 -0.734 50.6 170.4 -85.0 126.0 -5.3 12.9 9.8 69 69 A I E - E 0 58A 32 -11,-2.3 -11,-2.2 -2,-0.5 2,-0.2 -0.976 40.3 -98.0-136.9 145.3 -6.5 10.9 12.8 70 70 A Q E - E 0 57A 7 -55,-0.5 -13,-0.3 -2,-0.3 9,-0.1 -0.497 42.5-119.0 -68.2 134.9 -5.4 7.5 14.0 71 71 A D - 0 0 53 -15,-3.1 7,-2.6 -2,-0.2 2,-0.3 -0.254 28.9-150.3 -67.8 159.8 -7.8 4.8 12.9 72 72 A T E -N 77 0D 60 5,-0.3 2,-0.5 -59,-0.0 5,-0.2 -0.954 9.6-149.4-131.9 151.3 -9.6 2.8 15.7 73 73 A K E > S-N 76 0D 97 3,-2.7 3,-3.1 -2,-0.3 -2,-0.0 -0.994 86.7 -20.0-122.9 120.1 -10.9 -0.8 15.9 74 74 A K T 3 S- 0 0 196 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.834 131.2 -50.2 47.1 41.1 -13.9 -1.2 18.1 75 75 A G T 3 S+ 0 0 50 1,-0.2 2,-0.4 3,-0.0 -1,-0.3 0.314 116.4 106.4 88.1 -11.9 -13.0 2.1 19.8 76 76 A K E < S-N 73 0D 114 -3,-3.1 -3,-2.7 1,-0.1 -1,-0.2 -0.845 80.9 -91.0-104.7 152.1 -9.3 1.4 20.5 77 77 A L E -N 72 0D 47 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.3 -0.168 41.6-132.4 -55.2 136.4 -6.3 2.9 18.7 78 78 A R + 0 0 36 -7,-2.6 -22,-2.4 -22,-0.2 2,-0.4 -0.813 26.6 177.8 -97.9 131.4 -5.2 0.8 15.8 79 79 A F B -M 55 0C 25 -2,-0.5 -24,-0.3 -24,-0.2 2,-0.2 -0.990 29.8-125.9-129.8 131.3 -1.5 -0.1 15.4 80 80 A V - 0 0 0 -26,-3.1 2,-0.1 -2,-0.4 113,-0.1 -0.563 36.3-123.0 -73.1 141.8 -0.2 -2.3 12.6 81 81 A R - 0 0 49 111,-0.5 2,-0.5 -2,-0.2 198,-0.1 -0.440 21.9 -98.8 -87.9 159.2 1.8 -5.1 14.2 82 82 A N E -o 279 0E 1 196,-0.9 198,-3.2 194,-0.4 2,-0.6 -0.685 36.5-165.9 -74.9 122.3 5.5 -5.9 13.5 83 83 A C E > -o 280 0E 3 -2,-0.5 3,-2.4 5,-0.2 198,-0.2 -0.955 38.6 -81.0-112.6 105.7 5.7 -8.8 11.0 84 84 A F T 3 S+ 0 0 33 196,-2.5 198,-0.3 -2,-0.6 3,-0.1 -0.201 114.3 19.4 -51.6 122.7 9.2 -10.4 10.9 85 85 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.966 117.5 77.9-106.2 14.1 11.6 -9.4 9.3 86 86 A H < - 0 0 4 -3,-2.4 2,-0.6 283,-0.1 -3,-0.1 -0.484 63.1-145.4 -95.0 157.8 9.9 -6.0 9.1 87 87 A H - 0 0 24 -2,-0.2 -35,-0.3 -5,-0.1 -5,-0.1 -0.945 64.1 -58.8-120.2 103.5 9.5 -3.1 11.6 88 88 A G S S- 0 0 1 -2,-0.6 -5,-0.2 -36,-0.2 2,-0.2 -0.227 115.2 -2.8 61.1-147.1 6.1 -1.4 11.3 89 89 A Y - 0 0 0 -36,-2.1 -37,-3.1 -39,-0.3 -36,-0.2 -0.556 63.5-152.5 -74.7 146.8 5.5 0.1 7.8 90 90 A I S S+ 0 0 3 -2,-0.2 2,-0.3 -39,-0.2 -1,-0.1 0.320 75.7 45.3-106.7 11.4 8.6 -0.4 5.5 91 91 A H S S- 0 0 2 -41,-0.1 2,-0.5 -42,-0.1 33,-0.2 -0.940 96.7 -95.9-137.2 165.3 7.8 2.7 3.4 92 92 A N E - I 0 123B 0 31,-2.1 31,-2.9 -2,-0.3 2,-0.4 -0.754 58.2-154.0 -75.0 128.9 6.8 6.3 4.1 93 93 A Y E +HI 49 122B 5 -44,-3.2 -44,-2.9 -2,-0.5 -45,-2.6 -0.903 35.8 103.1-121.3 134.6 3.1 5.8 3.6 94 94 A G E -HI 47 121B 0 27,-2.1 27,-2.2 -2,-0.4 2,-0.3 -0.741 49.9 -97.6-167.2-140.7 0.3 8.1 2.5 95 95 A A E -HI 46 120B 1 -49,-2.1 -49,-2.9 25,-0.3 25,-0.2 -0.964 25.9-100.2-154.0 169.8 -1.9 9.0 -0.5 96 96 A F - 0 0 0 23,-1.7 3,-0.5 -2,-0.3 23,-0.3 -0.828 42.5-128.8 -93.5 127.7 -2.4 11.4 -3.4 97 97 A P S S+ 0 0 0 0, 0.0 -67,-0.2 0, 0.0 -68,-0.1 -0.294 88.6 36.2 -69.1 164.4 -5.0 14.0 -2.7 98 98 A Q S S+ 0 0 20 -69,-3.2 2,-0.3 1,-0.2 128,-0.2 0.839 96.4 107.4 58.2 40.3 -7.8 14.5 -5.2 99 99 A T - 0 0 0 -3,-0.5 2,-0.3 -70,-0.3 -1,-0.2 -0.930 45.3-172.2-139.2 158.6 -8.1 10.8 -6.0 100 100 A W - 0 0 0 122,-0.9 2,-1.2 -2,-0.3 125,-0.2 -0.936 26.7-137.3-156.6 129.5 -10.7 8.2 -5.0 101 101 A E - 0 0 0 16,-2.0 15,-1.8 -2,-0.3 16,-0.1 -0.798 42.3-129.7 -85.0 93.5 -10.8 4.4 -5.4 102 102 A D - 0 0 10 -2,-1.2 12,-2.2 1,-0.2 3,-0.5 -0.324 23.8-167.9 -58.5 123.3 -14.4 4.4 -6.5 103 103 A P S S+ 0 0 17 0, 0.0 -1,-0.2 0, 0.0 10,-0.1 0.404 76.6 71.0 -87.3 -2.6 -16.3 1.8 -4.5 104 104 A N S S+ 0 0 49 9,-0.1 2,-0.3 132,-0.1 -2,-0.1 0.312 96.7 47.7 -97.5 -2.0 -19.4 1.9 -6.7 105 105 A V S S- 0 0 74 -3,-0.5 9,-0.7 7,-0.1 2,-0.5 -0.968 84.1-114.3-133.0 155.1 -18.0 0.2 -9.7 106 106 A S E -P 113 0F 82 -2,-0.3 7,-0.3 7,-0.2 5,-0.1 -0.791 34.7-128.4 -87.8 128.5 -16.0 -3.0 -10.1 107 107 A H E >>> -P 112 0F 3 5,-2.6 4,-2.3 -2,-0.5 5,-0.8 -0.661 10.8-137.4 -82.2 138.0 -12.4 -2.2 -11.4 108 108 A P T 345S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.772 96.6 55.8 -69.4 -25.6 -11.5 -4.2 -14.5 109 109 A E T 345S+ 0 0 52 1,-0.2 96,-0.2 3,-0.1 35,-0.1 0.806 126.7 18.2 -73.7 -33.9 -7.9 -5.1 -13.6 110 110 A T T <45S- 0 0 16 -3,-0.6 -1,-0.2 2,-0.2 3,-0.1 0.454 93.4-129.5-114.9 -13.2 -8.9 -6.7 -10.3 111 111 A K T <5S+ 0 0 162 -4,-2.3 2,-0.3 1,-0.2 -5,-0.1 0.870 72.6 107.3 58.4 45.4 -12.6 -7.4 -10.7 112 112 A A E - 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F 0 428J 11 -7,-3.6 -7,-1.1 -2,-0.4 -1,-0.1 -0.723 12.8-162.1-134.7 82.2 33.3 -12.5 19.3 436 153 B W E - F 0 427J 2 -2,-0.3 -33,-0.9 -9,-0.2 2,-0.5 -0.255 3.5-153.9 -60.1 141.4 30.8 -15.0 20.7 437 154 B K E -eF 403 426J 0 -11,-2.6 -11,-2.2 -35,-0.1 2,-0.3 -0.957 7.8-147.4-120.2 116.0 27.1 -13.9 20.7 438 155 B V E -eF 404 425J 0 -35,-3.2 -33,-3.4 -2,-0.5 2,-0.6 -0.610 8.7-142.7 -80.1 134.7 24.9 -15.6 23.4 439 156 B I E +eF 405 424J 3 -15,-2.6 -16,-3.4 -2,-0.3 -15,-1.2 -0.878 36.9 158.8 -95.4 119.0 21.3 -16.1 22.3 440 157 B A E -eF 406 422J 0 -35,-2.9 -33,-2.6 -2,-0.6 2,-0.3 -0.874 30.5-144.1-136.6 170.8 19.0 -15.5 25.3 441 158 B I E - F 0 421J 0 -20,-1.9 -20,-2.2 -2,-0.3 2,-0.1 -1.000 30.5-106.1-142.5 139.2 15.5 -14.6 26.4 442 159 B D E > - F 0 420J 18 -2,-0.3 3,-2.0 -22,-0.2 -22,-0.3 -0.426 26.6-134.8 -58.7 130.7 14.0 -12.5 29.2 443 160 B I T 3 S+ 0 0 66 -24,-3.2 -1,-0.2 1,-0.3 -23,-0.1 0.750 105.4 59.6 -61.4 -21.6 12.5 -14.9 31.8 444 161 B N T 3 S+ 0 0 131 -25,-0.4 -1,-0.3 4,-0.1 -2,-0.1 0.520 77.1 115.2 -80.9 -8.1 9.5 -12.6 31.9 445 162 B D S X S- 0 0 9 -3,-2.0 3,-2.6 1,-0.1 -4,-0.0 -0.478 77.3-122.7 -64.3 142.0 8.7 -13.1 28.2 446 163 B P T 3 S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.747 112.2 47.4 -54.9 -29.7 5.4 -14.8 27.6 447 164 B L T > S+ 0 0 49 1,-0.2 3,-1.3 2,-0.1 4,-0.5 0.437 79.9 100.8 -91.8 -3.8 7.2 -17.5 25.6 448 165 B A G X S+ 0 0 3 -3,-2.6 3,-1.7 1,-0.3 -1,-0.2 0.885 76.0 58.3 -51.7 -46.2 10.1 -18.2 28.0 449 166 B P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.838 109.9 45.8 -57.9 -27.9 8.6 -21.4 29.5 450 167 B K G < S+ 0 0 116 -3,-1.3 2,-0.7 -4,-0.1 -2,-0.2 0.436 97.9 79.3 -92.9 -2.3 8.6 -22.9 26.0 451 168 B L < + 0 0 0 -3,-1.7 3,-0.1 -4,-0.5 -10,-0.1 -0.926 45.1 139.8-111.1 102.6 12.1 -21.8 25.0 452 169 B N + 0 0 82 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.639 64.6 10.0-117.0 -27.9 14.7 -24.2 26.5 453 170 B D S >> S- 0 0 44 41,-0.1 3,-1.8 42,-0.1 4,-0.6 -0.887 87.9 -82.5-145.9 179.1 17.4 -24.7 23.8 454 171 B I H >> S+ 0 0 12 -31,-0.7 4,-1.2 1,-0.3 3,-0.9 0.782 119.9 62.5 -60.5 -30.4 18.5 -23.5 20.4 455 172 B E H 3> S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.793 95.4 61.8 -60.3 -30.1 15.9 -25.6 18.5 456 173 B D H <> S+ 0 0 35 -3,-1.8 4,-2.6 1,-0.2 5,-0.3 0.815 98.0 57.1 -71.4 -25.4 13.1 -23.7 20.2 457 174 B V H X S- 0 0 14 -4,-2.3 3,-2.3 -5,-0.3 4,-0.5 -0.472 80.3-171.7-136.5 57.0 11.2 -17.4 15.8 462 179 B P T 34 S+ 0 0 59 0, 0.0 -4,-0.1 0, 0.0 -180,-0.1 -0.324 72.9 16.7 -58.7 128.7 11.8 -18.9 12.4 463 180 B G T 3> S+ 0 0 38 -182,-0.1 4,-2.7 -2,-0.1 5,-0.2 0.132 95.3 104.1 95.0 -18.6 14.2 -17.0 10.3 464 181 B L H <> S+ 0 0 4 -3,-2.3 4,-2.5 -7,-0.3 5,-0.2 0.880 81.5 48.7 -65.7 -35.8 15.7 -15.0 13.3 465 182 B L H X S+ 0 0 23 -4,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.934 112.7 47.9 -70.4 -37.7 18.9 -17.1 13.4 466 183 B R H > S+ 0 0 188 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.934 112.6 48.8 -65.1 -43.6 19.3 -16.6 9.7 467 184 B A H X S+ 0 0 7 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.902 110.1 52.6 -61.9 -36.7 18.7 -12.9 10.1 468 185 B T H X S+ 0 0 3 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.935 109.7 48.3 -63.0 -45.8 21.3 -12.9 13.0 469 186 B N H X S+ 0 0 20 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.972 115.5 44.5 -56.6 -52.5 23.9 -14.6 10.8 470 187 B E H X S+ 0 0 75 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.920 112.0 51.8 -60.2 -48.1 23.2 -12.1 8.0 471 188 B W H X S+ 0 0 3 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.931 111.1 45.6 -58.4 -49.0 23.2 -9.0 10.3 472 189 B F H < S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.2 4,-0.2 0.782 111.8 54.2 -69.7 -21.3 26.5 -9.7 12.0 473 190 B R H < S+ 0 0 92 -4,-1.5 11,-2.5 -5,-0.3 3,-0.2 0.907 123.1 22.8 -73.7 -42.6 28.1 -10.5 8.6 474 191 B I H >< S+ 0 0 20 -4,-2.0 3,-1.7 9,-0.2 -2,-0.2 0.535 87.8 101.9-106.2 -3.6 27.2 -7.3 6.9 475 192 B Y T 3< S+ 0 0 22 -4,-2.2 -111,-0.5 1,-0.3 -1,-0.2 0.614 89.3 43.1 -62.5 -24.4 26.6 -4.6 9.6 476 193 B K T > >S+ 0 0 36 -3,-0.2 5,-2.0 6,-0.2 3,-1.1 0.486 88.5 90.2 -98.9 -1.4 29.9 -2.9 9.2 477 194 B I G X 5S+ 0 0 53 -3,-1.7 3,-3.0 1,-0.3 -2,-0.2 0.937 83.0 55.8 -57.0 -47.6 29.9 -3.0 5.4 478 195 B P G 3 5S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.733 105.2 55.2 -55.7 -25.6 28.1 0.4 5.3 479 196 B D G < 5S- 0 0 70 -3,-1.1 -2,-0.2 2,-0.1 -3,-0.1 0.352 125.4-102.4 -85.0 -0.6 31.0 1.8 7.3 480 197 B G T < 5S+ 0 0 73 -3,-3.0 -3,-0.2 1,-0.3 -4,-0.0 0.691 81.7 126.5 84.6 21.9 33.6 0.5 4.8 481 198 B K < - 0 0 56 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.1 -0.717 63.7 -99.8-105.3 160.3 34.7 -2.6 6.8 482 199 B P - 0 0 73 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.253 45.8 -84.1 -71.7 168.8 34.7 -6.1 5.2 483 200 B E - 0 0 104 -7,-0.1 -9,-0.2 1,-0.1 -10,-0.1 -0.352 47.5-126.2 -70.3 149.2 32.0 -8.7 5.8 484 201 B N - 0 0 3 -11,-2.5 2,-0.3 -12,-0.2 -54,-0.2 -0.451 19.6-142.4 -89.7 173.3 32.5 -10.7 9.0 485 202 B Q E -H 429 0J 116 -56,-1.4 -56,-3.3 -2,-0.1 2,-0.4 -0.946 3.5-136.4-132.8 164.3 32.6 -14.5 9.1 486 203 B F E -H 428 0J 25 -2,-0.3 3,-0.5 -58,-0.2 -58,-0.2 -0.904 16.1-127.0-118.3 149.9 31.3 -17.1 11.5 487 204 B A S > S+ 0 0 23 -60,-3.0 3,-1.9 -2,-0.4 -60,-0.4 -0.306 94.5 34.8 -80.7 169.8 33.1 -20.2 12.8 488 205 B F G > S- 0 0 53 1,-0.3 3,-2.0 -96,-0.2 -1,-0.2 0.831 131.9 -73.8 55.8 34.1 31.2 -23.5 12.5 489 206 B S G 3 S- 0 0 116 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.781 90.9 -59.7 49.6 31.2 29.7 -22.4 9.2 490 207 B G G < S+ 0 0 10 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.445 91.0 152.1 86.1 0.4 27.4 -20.1 11.1 491 208 B E < - 0 0 90 -3,-2.0 2,-0.6 -4,-0.2 -64,-0.5 -0.290 46.4-125.0 -66.2 146.0 25.6 -22.6 13.2 492 209 B A - 0 0 22 -66,-0.1 -66,-0.2 -68,-0.0 2,-0.1 -0.862 27.1-136.9 -88.5 121.7 24.2 -21.6 16.6 493 210 B K E -G 425 0J 38 -68,-3.1 -68,-1.8 -2,-0.6 -70,-0.0 -0.359 28.5 -98.4 -74.4 161.2 25.7 -24.0 19.3 494 211 B N E > -G 424 0J 70 -70,-0.2 4,-2.8 -2,-0.1 5,-0.2 -0.055 35.4 -90.5 -82.1 176.3 23.3 -25.3 21.9 495 212 B K H > S+ 0 0 47 -72,-0.5 4,-2.5 1,-0.2 -71,-0.2 0.867 123.8 52.8 -54.3 -42.7 22.6 -24.2 25.5 496 213 B K H > S+ 0 0 126 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 111.0 45.2 -62.2 -46.4 25.2 -26.6 27.0 497 214 B Y H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.956 113.3 53.6 -61.7 -44.0 28.0 -25.3 24.7 498 215 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.896 106.4 50.6 -52.4 -50.2 26.8 -21.8 25.5 499 216 B L H X S+ 0 0 38 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.909 110.2 50.3 -65.3 -31.7 27.1 -22.4 29.3 500 217 B D H X S+ 0 0 68 -4,-1.8 4,-2.4 2,-0.2 3,-0.2 0.960 112.3 45.4 -66.9 -49.5 30.6 -23.6 29.0 501 218 B I H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.3 5,-0.2 0.918 111.1 53.8 -58.8 -49.6 31.8 -20.7 26.9 502 219 B I H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.3 -1,-0.3 0.856 111.1 47.4 -50.3 -46.0 30.0 -18.4 29.3 503 220 B K H X S+ 0 0 111 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.895 108.4 53.1 -66.2 -37.8 32.0 -20.1 32.1 504 221 B E H X S+ 0 0 87 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.891 111.9 47.0 -62.9 -42.0 35.3 -19.8 30.3 505 222 B T H X S+ 0 0 5 -4,-2.9 4,-2.1 2,-0.2 -122,-1.5 0.866 110.9 49.4 -70.6 -36.2 34.8 -16.1 29.9 506 223 B H H X S+ 0 0 21 -4,-1.7 4,-1.7 -124,-0.2 -2,-0.2 0.779 111.9 50.4 -73.9 -27.2 33.7 -15.5 33.5 507 224 B D H X S+ 0 0 64 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.814 108.2 51.5 -75.2 -28.7 36.8 -17.4 34.6 508 225 B S H X S+ 0 0 32 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.945 107.8 54.0 -64.5 -43.9 38.8 -15.2 32.3 509 226 B W H X S+ 0 0 7 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.940 104.0 56.2 -56.0 -42.7 37.1 -12.3 34.1 510 227 B K H X S+ 0 0 98 -4,-1.7 4,-1.7 2,-0.2 6,-0.2 0.921 107.5 45.6 -54.0 -50.5 38.3 -13.8 37.5 511 228 B Q H <>S+ 0 0 109 -4,-1.9 5,-0.9 1,-0.2 3,-0.4 0.970 113.3 52.7 -58.5 -53.8 42.0 -13.7 36.5 512 229 B L H ><5S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.863 110.4 43.9 -46.7 -53.2 41.6 -10.2 35.1 513 230 B I H 3<5S+ 0 0 13 -4,-2.4 -1,-0.2 1,-0.2 22,-0.2 0.790 104.7 63.9 -72.0 -25.5 40.0 -8.6 38.2 514 231 B A T 3<5S- 0 0 31 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.1 0.088 120.5-100.6 -84.9 22.4 42.4 -10.3 40.6 515 232 B G T < 5S+ 0 0 62 -3,-0.9 -3,-0.1 1,-0.3 2,-0.1 0.179 89.1 123.9 83.6 -23.5 45.4 -8.4 39.2 516 233 B K < + 0 0 108 -5,-0.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.449 31.4 100.6 -70.5 140.5 46.4 -11.6 37.3 517 234 B S - 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