==== 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 HYDROLASE 19-FEB-01 1I40 . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.R.SAMYGINA,A.N.POPOV,V.S.LAMZIN,S.M.AVAEVA . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 17.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 0 0 0 0 0 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 S > 0 0 94 0, 0.0 3,-2.0 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 179.4 56.6 91.3 9.7 2 2 A L G > + 0 0 34 1,-0.3 3,-0.6 35,-0.3 35,-0.1 0.672 360.0 73.0 -56.9 -19.2 56.2 88.3 12.1 3 3 A L G 3 S+ 0 0 48 1,-0.2 -1,-0.3 33,-0.1 57,-0.1 0.708 96.4 48.9 -69.3 -15.3 54.8 86.6 9.0 4 4 A N G < S+ 0 0 116 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.293 76.9 117.3-112.2 -8.3 58.4 86.3 7.4 5 5 A V < - 0 0 29 -3,-0.6 13,-0.1 -4,-0.3 11,-0.0 -0.429 69.2-110.8 -55.7 132.7 60.5 84.9 10.3 6 6 A P - 0 0 70 0, 0.0 53,-0.4 0, 0.0 3,-0.1 -0.286 14.3-120.0 -65.0 159.8 62.0 81.5 9.5 7 7 A A S S- 0 0 5 1,-0.3 9,-2.5 51,-0.2 2,-0.3 0.832 85.9 -45.6 -59.0 -34.1 60.9 78.2 11.1 8 8 A G - 0 0 19 7,-0.3 3,-0.4 1,-0.1 -1,-0.3 -0.906 45.1-104.6 172.5 159.8 64.4 77.9 12.3 9 9 A K S S+ 0 0 138 -2,-0.3 6,-0.2 1,-0.2 -1,-0.1 0.842 115.5 2.5 -70.2 -31.2 68.1 78.2 11.3 10 10 A D B >> S-A 14 0A 101 4,-2.1 4,-2.0 -3,-0.1 3,-0.6 -0.562 98.7-120.5-160.8 78.8 68.5 74.3 11.3 11 11 A L T 34 S+ 0 0 34 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.402 80.5 14.6 -66.9 151.2 65.3 72.4 11.9 12 12 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.999 132.5 37.3 -91.4 -2.7 64.3 70.4 13.9 13 13 A E T <4 S+ 0 0 84 -3,-0.6 2,-0.5 1,-0.2 -2,-0.2 0.732 121.7 41.4 -76.8 -27.3 67.2 70.9 16.4 14 14 A D B < S+A 10 0A 20 -4,-2.0 -4,-2.1 74,-0.1 2,-0.3 -0.935 80.2 156.7-130.5 100.2 67.5 74.7 16.0 15 15 A I E -B 87 0B 0 72,-2.5 72,-2.7 -2,-0.5 2,-0.4 -0.750 37.1-127.8-123.8 164.7 64.2 76.5 15.7 16 16 A Y E -B 86 0B 44 -9,-2.5 2,-0.5 -2,-0.3 43,-0.4 -0.968 18.2-159.1-111.2 137.9 62.5 79.9 16.2 17 17 A V E -B 85 0B 0 68,-2.3 68,-2.5 -2,-0.4 2,-0.6 -0.979 10.1-145.0-117.5 126.1 59.4 80.3 18.3 18 18 A V E -BC 84 57B 0 39,-2.9 39,-1.9 -2,-0.5 2,-0.4 -0.803 25.7-134.8 -85.7 118.2 57.2 83.4 17.9 19 19 A I E + C 0 56B 0 64,-3.1 63,-3.5 -2,-0.6 37,-0.3 -0.656 35.1 165.1 -83.1 131.0 55.8 84.2 21.3 20 20 A E E S+ 0 0 13 35,-2.8 36,-0.2 -2,-0.4 -1,-0.2 0.720 71.2 30.7-105.3 -37.0 52.2 85.0 21.8 21 21 A I E S- C 0 55B 2 34,-2.3 34,-2.8 59,-0.1 -1,-0.3 -0.994 77.7-136.3-130.6 121.9 51.7 84.8 25.6 22 22 A P > - 0 0 22 0, 0.0 3,-0.7 0, 0.0 29,-0.2 -0.384 27.8 -99.6 -72.4 159.3 54.4 85.5 28.2 23 23 A A T 3 S+ 0 0 11 1,-0.2 3,-0.1 50,-0.1 31,-0.1 -0.332 106.0 20.6 -60.8 153.7 55.2 83.5 31.2 24 24 A N T 3 S+ 0 0 120 27,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.799 99.6 143.5 57.7 35.3 53.8 84.7 34.5 25 25 A A < - 0 0 30 -3,-0.7 -1,-0.2 26,-0.4 26,-0.1 -0.533 57.5 -86.0-108.2 170.3 51.1 86.8 32.7 26 26 A D - 0 0 125 -2,-0.2 2,-2.3 1,-0.1 25,-0.2 -0.328 57.2 -92.7 -65.4 155.9 47.5 87.7 33.1 27 27 A P S S+ 0 0 50 0, 0.0 18,-2.2 0, 0.0 2,-0.5 -0.371 79.1 130.6 -80.3 66.7 45.0 85.2 31.8 28 28 A I E -H 44 0C 35 -2,-2.3 2,-0.8 16,-0.2 16,-0.2 -0.986 48.6-147.8-118.4 115.9 44.6 86.8 28.2 29 29 A K E -H 43 0C 34 14,-2.9 13,-2.9 -2,-0.5 14,-1.6 -0.829 21.4-173.3 -88.9 110.3 45.0 84.3 25.4 30 30 A Y E -H 41 0C 67 -2,-0.8 2,-0.3 11,-0.3 11,-0.2 -0.759 5.7-172.4 -95.2 150.8 46.5 86.1 22.4 31 31 A E E -H 40 0C 73 9,-2.4 9,-2.7 -2,-0.3 2,-0.3 -0.987 26.3-120.1-143.1 135.6 47.0 84.7 18.9 32 32 A I E -H 39 0C 15 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.572 31.8-125.7 -70.0 133.1 48.8 86.1 15.9 33 33 A D > - 0 0 53 5,-2.9 4,-2.6 -2,-0.3 5,-0.2 -0.672 9.6-141.7 -81.7 125.6 46.4 86.6 13.0 34 34 A K T 4 S+ 0 0 167 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.826 95.9 45.1 -57.7 -33.0 47.7 84.8 9.8 35 35 A E T 4 S+ 0 0 155 1,-0.1 -1,-0.2 3,-0.1 -32,-0.1 0.942 126.4 23.3 -79.3 -47.4 46.5 87.6 7.5 36 36 A S T 4 S- 0 0 66 2,-0.1 -2,-0.2 -33,-0.0 -1,-0.1 0.696 88.9-130.8 -97.5 -24.5 47.7 90.7 9.2 37 37 A G < + 0 0 14 -4,-2.6 -35,-0.3 1,-0.3 2,-0.2 0.529 63.9 136.4 79.7 2.1 50.6 89.5 11.5 38 38 A A - 0 0 43 -5,-0.2 -5,-2.9 -6,-0.1 2,-0.7 -0.555 62.5-112.4 -86.3 154.4 48.8 91.4 14.4 39 39 A L E -H 32 0C 64 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.746 38.6-170.5 -85.4 114.3 48.3 90.1 17.9 40 40 A F E -H 31 0C 114 -9,-2.7 -9,-2.4 -2,-0.7 2,-0.6 -0.819 26.9-114.9-102.2 148.0 44.6 89.5 18.5 41 41 A V E +H 30 0C 68 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.678 31.6 176.9 -74.2 122.5 42.8 88.7 21.8 42 42 A D E - 0 0 77 -13,-2.9 2,-0.3 -2,-0.6 -12,-0.2 0.823 63.5 -8.9 -88.3 -44.1 41.3 85.2 21.5 43 43 A R E -H 29 0C 85 -14,-1.6 -14,-2.9 2,-0.0 2,-0.7 -0.979 44.5-138.1-155.8 144.9 39.9 84.9 24.9 44 44 A F E -H 28 0C 145 -2,-0.3 -16,-0.2 -16,-0.2 -3,-0.0 -0.951 52.3-124.0 -95.8 107.3 39.8 86.5 28.4 45 45 A M - 0 0 26 -18,-2.2 97,-0.1 -2,-0.7 -2,-0.0 -0.329 16.1-152.4 -66.0 143.9 40.1 83.2 30.3 46 46 A S S S+ 0 0 72 95,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.725 73.6 78.5 -82.6 -28.4 37.4 82.3 32.8 47 47 A T S S- 0 0 16 94,-0.5 2,-1.8 1,-0.1 -2,-0.0 -0.558 87.0-119.6 -83.1 149.9 39.7 80.2 35.0 48 48 A A S S+ 0 0 109 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.477 75.9 116.6 -85.8 64.0 42.2 81.6 37.4 49 49 A M - 0 0 38 -2,-1.8 2,-0.3 92,-0.1 -4,-0.1 -0.896 48.8-154.1-129.6 158.7 45.1 80.0 35.6 50 50 A F - 0 0 104 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.989 35.2 -94.1-134.9 147.9 48.2 81.3 33.8 51 51 A Y - 0 0 7 -2,-0.3 -27,-0.8 -29,-0.2 -26,-0.4 -0.372 34.8-141.2 -59.3 129.9 50.3 79.8 31.0 52 52 A P S S+ 0 0 14 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.652 79.0 12.1 -75.9 -15.1 53.2 78.0 32.8 53 53 A C S S- 0 0 3 -31,-0.1 2,-0.0 21,-0.1 -32,-0.0 -0.896 104.2 -69.6-141.6 170.9 55.9 79.0 30.3 54 54 A N E - D 0 73B 0 19,-1.4 19,-2.6 -2,-0.3 2,-0.4 -0.429 58.1-152.4 -59.7 147.1 56.0 81.5 27.4 55 55 A Y E +CD 21 72B 11 -34,-2.8 -35,-2.8 17,-0.2 -34,-2.3 -0.986 33.2 109.4-135.0 136.6 53.7 80.2 24.7 56 56 A G E -CD 19 71B 0 15,-2.6 15,-2.5 -2,-0.4 2,-0.3 -0.769 46.7 -88.9-169.5-144.0 53.8 80.5 20.9 57 57 A Y E -CD 18 70B 16 -39,-1.9 -39,-2.9 13,-0.3 2,-0.6 -0.942 25.3-106.4-149.5 164.3 54.4 78.8 17.6 58 58 A I > - 0 0 0 11,-1.8 3,-0.7 -2,-0.3 11,-0.4 -0.870 42.0-131.0 -96.3 117.4 56.9 77.8 14.9 59 59 A N T 3 S+ 0 0 18 -2,-0.6 -43,-0.1 -43,-0.4 3,-0.1 -0.306 86.3 28.8 -65.0 156.5 56.3 79.9 11.8 60 60 A H T 3 S+ 0 0 92 1,-0.3 2,-0.3 -57,-0.1 -1,-0.2 0.842 95.6 115.7 63.5 30.9 56.1 78.2 8.4 61 61 A T < - 0 0 8 -3,-0.7 2,-0.4 111,-0.1 -1,-0.3 -0.951 46.7-163.2-125.0 152.8 54.7 75.0 9.9 62 62 A L - 0 0 52 106,-1.9 109,-0.2 -2,-0.3 110,-0.1 -0.920 7.5-164.7-139.4 107.1 51.3 73.3 9.4 63 63 A S > - 0 0 9 4,-2.8 3,-2.0 -2,-0.4 102,-0.0 -0.330 40.9 -99.3 -84.5 170.3 50.0 70.7 11.8 64 64 A L T 3 S+ 0 0 150 1,-0.3 -1,-0.1 2,-0.1 38,-0.0 0.733 122.2 65.4 -62.1 -21.5 47.1 68.3 11.1 65 65 A D T 3 S- 0 0 62 2,-0.2 -1,-0.3 1,-0.0 37,-0.0 0.482 118.7-109.9 -80.1 0.4 45.0 70.7 13.2 66 66 A G S < S+ 0 0 48 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.0 0.386 87.5 94.6 92.6 -5.1 45.4 73.5 10.5 67 67 A D S S- 0 0 73 1,-0.1 -4,-2.8 -5,-0.0 -1,-0.3 -0.779 83.1 -89.6-114.8 162.1 47.7 75.7 12.7 68 68 A P - 0 0 35 0, 0.0 -6,-0.2 0, 0.0 -1,-0.1 -0.242 63.5 -75.2 -59.5 159.1 51.4 76.0 13.1 69 69 A V - 0 0 4 -11,-0.4 -11,-1.8 96,-0.1 2,-0.3 -0.373 48.9-130.4 -59.5 130.9 53.1 73.9 15.8 70 70 A D E -De 57 104B 22 33,-0.5 35,-2.5 -13,-0.2 2,-0.4 -0.656 28.4-174.2 -88.1 134.1 52.5 75.0 19.3 71 71 A V E -De 56 105B 0 -15,-2.5 -15,-2.6 -2,-0.3 2,-0.4 -0.996 21.5-152.6-138.2 136.4 55.5 75.5 21.7 72 72 A L E -De 55 106B 0 33,-2.9 35,-2.6 -2,-0.4 -17,-0.2 -0.872 17.1-166.4 -97.0 132.2 56.1 76.3 25.4 73 73 A V E -D 54 0B 0 -19,-2.6 -19,-1.4 -2,-0.4 2,-0.3 -0.936 8.7-150.4-126.2 106.5 59.5 77.9 26.1 74 74 A P + 0 0 15 0, 0.0 -21,-0.1 0, 0.0 -2,-0.0 -0.573 26.0 170.5 -71.2 140.2 60.7 78.2 29.7 75 75 A T - 0 0 28 -2,-0.3 4,-0.0 33,-0.1 -2,-0.0 -0.949 45.7-114.9-143.2 163.4 62.9 81.2 30.3 76 76 A P S S+ 0 0 73 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.790 104.8 20.5 -70.2 -28.0 64.5 83.0 33.3 77 77 A Y S S- 0 0 185 -3,-0.0 -54,-0.1 0, 0.0 -53,-0.0 -0.983 99.7 -89.5-139.0 147.8 62.3 86.0 32.7 78 78 A P - 0 0 67 0, 0.0 2,-0.2 0, 0.0 -54,-0.0 -0.232 41.5-130.0 -65.4 143.7 59.1 86.5 30.7 79 79 A L - 0 0 42 -58,-0.1 3,-0.0 1,-0.1 6,-0.0 -0.473 22.0-100.9 -86.9 163.6 59.3 87.3 27.1 80 80 A Q > - 0 0 142 -2,-0.2 3,-2.2 1,-0.1 -61,-0.2 -0.608 39.9-106.4 -80.9 134.9 57.5 90.1 25.1 81 81 A P T 3 S+ 0 0 37 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.388 109.4 25.2 -57.7 135.4 54.4 89.1 23.0 82 82 A G T 3 S+ 0 0 24 -63,-3.5 -62,-0.1 1,-0.3 2,-0.1 0.336 95.5 122.5 90.4 -7.9 55.4 89.2 19.4 83 83 A S < - 0 0 36 -3,-2.2 -64,-3.1 -64,-0.2 2,-0.4 -0.456 55.3-131.4 -82.9 166.8 59.1 88.5 20.1 84 84 A V E -B 18 0B 57 -66,-0.2 2,-0.4 -2,-0.1 -66,-0.2 -0.965 18.2-166.9-124.5 130.6 61.0 85.6 18.6 85 85 A T E -B 17 0B 12 -68,-2.5 -68,-2.3 -2,-0.4 2,-0.3 -0.968 20.1-130.7-125.7 133.1 63.3 83.2 20.5 86 86 A R E +B 16 0B 42 -2,-0.4 24,-2.2 -70,-0.2 2,-0.3 -0.630 44.3 163.3 -74.6 131.5 65.8 80.7 19.2 87 87 A C E -BF 15 109B 0 -72,-2.7 -72,-2.5 -2,-0.3 -14,-0.0 -0.871 37.4-129.9-150.0 174.1 65.3 77.4 20.9 88 88 A R E - F 0 108B 29 20,-2.1 20,-2.5 -2,-0.3 2,-0.1 -0.998 31.1-120.1-134.9 121.1 65.8 73.6 20.9 89 89 A P E + F 0 107B 2 0, 0.0 18,-0.3 0, 0.0 73,-0.1 -0.446 34.2 166.5 -69.1 142.1 63.0 71.0 21.3 90 90 A V E - 0 0 0 16,-2.8 68,-0.4 1,-0.4 33,-0.3 0.476 58.9 -19.9-128.6 -10.6 63.2 68.7 24.3 91 91 A G E - F 0 106B 0 15,-1.3 15,-2.7 67,-0.2 -1,-0.4 -0.980 51.5-129.9 176.7 175.0 59.8 67.0 24.6 92 92 A V E -GF 156 105B 1 64,-2.2 64,-2.7 -2,-0.3 2,-0.6 -0.986 8.6-142.9-151.9 136.7 56.1 67.1 23.8 93 93 A L E -GF 155 104B 1 11,-2.8 11,-2.5 -2,-0.3 2,-0.3 -0.903 21.3-150.9-100.2 119.2 52.8 66.7 25.7 94 94 A K E +GF 154 103B 62 60,-3.0 59,-2.4 -2,-0.6 60,-1.7 -0.657 24.6 161.1 -87.4 145.0 50.2 64.9 23.7 95 95 A M E -GF 152 102B 1 7,-2.2 7,-3.0 -2,-0.3 2,-0.4 -0.976 33.3-127.8-157.4 162.6 46.4 65.7 24.3 96 96 A T E +GF 151 101B 34 55,-2.5 55,-2.9 -2,-0.3 5,-0.2 -0.954 28.7 177.5-114.4 133.7 43.0 65.3 22.8 97 97 A D E > -GF 150 100B 16 3,-2.7 3,-1.2 -2,-0.4 53,-0.2 -0.649 51.8 -77.2-127.8-170.8 40.6 68.3 22.4 98 98 A E T 3 S+ 0 0 77 51,-0.8 3,-0.1 1,-0.3 52,-0.1 0.671 131.2 42.7 -62.8 -21.8 37.1 68.9 20.9 99 99 A A T 3 S- 0 0 88 1,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.446 121.5 -88.4 -99.2 -13.4 38.7 68.8 17.4 100 100 A G E < S- F 0 97B 28 -3,-1.2 -3,-2.7 -35,-0.0 -1,-0.3 -0.912 74.1 -4.7 141.6-162.6 41.1 65.9 17.7 101 101 A E E + F 0 96B 108 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.277 57.5 176.3 -67.0 151.8 44.7 65.3 18.7 102 102 A D E - F 0 95B 21 -7,-3.0 -7,-2.2 -38,-0.0 2,-0.4 -0.934 14.7-152.4-145.8 167.0 47.0 68.0 19.6 103 103 A A E - F 0 94B 17 -2,-0.3 2,-0.5 -9,-0.2 -33,-0.5 -0.996 5.5-158.9-147.4 142.3 50.4 68.5 20.9 104 104 A K E -eF 70 93B 10 -11,-2.5 -11,-2.8 -2,-0.4 -33,-0.2 -0.962 21.4-153.9-119.1 108.4 52.2 71.1 23.0 105 105 A L E -eF 71 92B 1 -35,-2.5 -33,-2.9 -2,-0.5 2,-0.4 -0.465 4.7-143.8 -76.3 159.9 56.0 71.0 22.5 106 106 A V E +eF 72 91B 0 -15,-2.7 -16,-2.8 -35,-0.2 -15,-1.3 -0.995 22.9 174.8-119.1 128.4 58.5 72.2 25.0 107 107 A A E - F 0 89B 0 -35,-2.6 3,-0.1 -2,-0.4 -36,-0.0 -0.990 17.3-144.6-132.8 140.7 61.7 73.9 23.6 108 108 A V E - F 0 88B 0 -20,-2.5 -20,-2.1 -2,-0.4 -33,-0.1 -0.729 37.0 -79.9-105.1 153.0 64.4 75.5 25.7 109 109 A P E - F 0 87B 8 0, 0.0 -22,-0.3 0, 0.0 8,-0.3 -0.184 56.8-104.1 -50.2 135.1 66.5 78.6 24.9 110 110 A H >> - 0 0 22 -24,-2.2 3,-1.9 -95,-0.1 4,-1.2 -0.251 27.4-111.4 -62.1 148.2 69.3 77.8 22.5 111 111 A S T 34 S+ 0 0 60 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.783 116.1 62.2 -53.0 -29.3 72.8 77.6 23.9 112 112 A K T 34 S+ 0 0 161 1,-0.2 -1,-0.3 3,-0.1 3,-0.1 0.809 104.5 48.0 -70.1 -27.2 73.9 80.8 22.0 113 113 A L T <4 S- 0 0 92 -3,-1.9 2,-0.3 1,-0.4 -1,-0.2 0.791 135.5 -26.8 -80.6 -31.3 71.3 82.8 24.0 114 114 A S < - 0 0 50 -4,-1.2 -1,-0.4 -5,-0.1 3,-0.4 -0.877 44.9-129.9-176.2 151.1 72.4 81.3 27.4 115 115 A K S > S+ 0 0 174 -2,-0.3 3,-1.7 1,-0.2 4,-0.4 0.472 82.9 102.8 -83.5 -7.1 74.0 78.1 28.7 116 116 A E T 3 S+ 0 0 87 1,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.820 86.6 32.0 -50.1 -41.8 71.2 77.8 31.3 117 117 A Y T > S+ 0 0 21 -3,-0.4 3,-2.0 -8,-0.3 -1,-0.3 0.323 84.2 105.5-103.9 9.0 69.2 75.1 29.6 118 118 A D T < S+ 0 0 63 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.847 75.4 61.6 -58.3 -32.3 72.1 73.1 28.0 119 119 A H T 3 S+ 0 0 134 -4,-0.4 2,-1.1 -3,-0.3 -1,-0.3 0.614 84.6 85.6 -68.7 -16.8 71.7 70.4 30.6 120 120 A I < + 0 0 8 -3,-2.0 -12,-0.1 1,-0.2 -1,-0.1 -0.784 47.5 152.4 -90.5 103.8 68.1 69.7 29.5 121 121 A K + 0 0 123 -2,-1.1 2,-0.3 1,-0.2 -1,-0.2 0.733 61.6 6.1-102.7 -28.0 68.7 67.3 26.6 122 122 A D S >> S- 0 0 43 35,-0.1 3,-2.1 36,-0.1 4,-0.5 -0.894 87.9 -82.5-153.3 176.1 65.4 65.2 26.6 123 123 A V G >4 S+ 0 0 17 -33,-0.3 3,-1.2 1,-0.3 -32,-0.1 0.818 120.6 60.9 -64.8 -31.8 62.0 65.1 28.3 124 124 A N G 34 S+ 0 0 94 1,-0.3 -1,-0.3 -34,-0.1 4,-0.1 0.693 98.1 61.0 -67.1 -18.1 63.3 63.2 31.4 125 125 A D G <4 S+ 0 0 66 -3,-2.1 -1,-0.3 -35,-0.2 -2,-0.2 0.626 81.5 97.0 -86.6 -15.3 65.6 66.2 32.1 126 126 A L S << S- 0 0 2 -3,-1.2 5,-0.0 -4,-0.5 -5,-0.0 -0.504 94.1 -93.5 -67.7 143.8 62.7 68.7 32.5 127 127 A P > - 0 0 71 0, 0.0 4,-2.2 0, 0.0 5,-0.2 -0.341 26.5-131.9 -56.9 137.8 61.8 69.2 36.2 128 128 A E H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.889 106.8 54.1 -57.2 -40.2 59.0 66.9 37.3 129 129 A L H > S+ 0 0 139 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 108.0 49.4 -61.3 -43.0 57.1 69.8 38.9 130 130 A L H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 111.2 48.7 -63.3 -47.3 57.2 71.8 35.7 131 131 A K H X S+ 0 0 20 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.927 113.1 47.7 -60.1 -42.7 55.9 68.9 33.6 132 132 A A H X S+ 0 0 61 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.884 111.6 50.4 -64.6 -40.0 53.1 68.2 36.1 133 133 A Q H X S+ 0 0 90 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.904 110.8 49.3 -64.2 -42.7 52.2 71.9 36.2 134 134 A I H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.939 112.6 47.1 -61.4 -48.1 52.0 72.0 32.4 135 135 A A H X S+ 0 0 21 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.924 112.5 49.3 -61.5 -42.8 49.8 68.9 32.1 136 136 A H H X S+ 0 0 104 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.887 109.2 53.7 -63.4 -40.1 47.5 70.2 34.8 137 137 A F H X S+ 0 0 5 -4,-2.2 4,-2.7 2,-0.2 3,-0.4 0.955 111.9 42.4 -57.3 -55.0 47.2 73.6 33.1 138 138 A F H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.877 113.1 55.1 -65.7 -32.1 46.2 72.1 29.7 139 139 A E H < S+ 0 0 37 -4,-2.3 11,-0.3 -5,-0.2 -1,-0.2 0.828 124.6 20.4 -64.1 -33.0 43.8 69.7 31.5 140 140 A H H >< S+ 0 0 62 -4,-1.6 3,-2.2 -3,-0.4 4,-0.2 0.603 92.8 89.8-116.6 -16.0 42.0 72.4 33.3 141 141 A Y T 3< S+ 0 0 17 -4,-2.7 -94,-0.5 1,-0.3 3,-0.3 0.778 97.0 44.6 -63.7 -25.6 42.3 75.9 31.7 142 142 A K T > S+ 0 0 31 -4,-0.4 3,-1.4 -5,-0.2 -1,-0.3 0.236 78.8 111.8 -97.7 14.1 39.2 75.3 29.5 143 143 A D T < S+ 0 0 99 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.746 84.5 38.5 -61.9 -25.9 37.1 73.9 32.3 144 144 A L T 3 S+ 0 0 114 -3,-0.3 2,-0.7 -4,-0.2 -1,-0.3 0.412 94.7 92.9-106.3 2.8 34.8 76.9 32.3 145 145 A E S X S- 0 0 34 -3,-1.4 3,-1.2 3,-0.2 2,-0.2 -0.832 71.7-140.4 -97.0 109.2 34.7 77.5 28.4 146 146 A K T 3 S+ 0 0 215 -2,-0.7 3,-0.1 1,-0.2 -2,-0.1 -0.502 85.4 25.9 -71.7 137.3 31.6 75.7 26.9 147 147 A G T 3 S+ 0 0 64 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.016 108.3 79.2 103.6 -27.2 32.5 74.1 23.6 148 148 A K < + 0 0 82 -3,-1.2 2,-0.3 -6,-0.2 -3,-0.2 -0.916 52.8 158.9-119.8 140.8 36.2 73.7 24.1 149 149 A W - 0 0 128 -2,-0.4 -51,-0.8 -3,-0.1 2,-0.4 -0.988 20.7-154.9-153.0 160.0 37.8 70.9 26.2 150 150 A V E -G 97 0B 10 -11,-0.3 2,-0.5 -2,-0.3 -53,-0.2 -0.997 4.7-168.6-142.8 132.1 41.1 69.1 26.6 151 151 A K E -G 96 0B 109 -55,-2.9 -55,-2.5 -2,-0.4 2,-0.2 -0.977 25.5-136.6-116.4 116.4 42.1 65.6 27.9 152 152 A V E -G 95 0B 34 -2,-0.5 -57,-0.3 -57,-0.2 -2,-0.0 -0.528 21.5-178.2 -76.7 134.3 45.8 65.2 28.5 153 153 A E E - 0 0 108 -59,-2.4 2,-0.3 1,-0.2 -58,-0.2 0.820 43.8 -82.3 -97.6 -53.6 47.3 62.0 27.2 154 154 A G E -G 94 0B 26 -60,-1.7 -60,-3.0 -19,-0.0 -1,-0.2 -0.845 39.7 -68.9 158.8 167.0 51.0 62.1 28.1 155 155 A W E -G 93 0B 71 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.542 34.5-173.0 -85.3 148.8 54.6 63.1 27.5 156 156 A E E -G 92 0B 82 -64,-2.7 -64,-2.2 -2,-0.2 -2,-0.0 -0.851 27.4 -94.7-131.3 168.9 56.9 61.9 24.7 157 157 A N > - 0 0 67 -2,-0.3 4,-2.1 -66,-0.2 -66,-0.2 0.045 37.7 -90.4 -86.4-178.3 60.5 62.6 24.1 158 158 A A H > S+ 0 0 5 -68,-0.4 4,-2.8 1,-0.2 -67,-0.2 0.865 123.8 56.0 -64.3 -34.1 62.6 65.0 22.1 159 159 A E H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.925 107.5 49.4 -63.0 -40.4 62.6 62.7 19.0 160 160 A A H > S+ 0 0 22 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 111.9 48.7 -62.4 -41.2 58.8 62.8 19.1 161 161 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.936 111.1 49.6 -62.2 -46.6 58.9 66.6 19.3 162 162 A K H X S+ 0 0 42 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.876 107.0 55.5 -60.7 -38.3 61.4 66.8 16.4 163 163 A A H X S+ 0 0 61 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.897 106.4 50.8 -62.4 -40.7 59.2 64.5 14.3 164 164 A E H X S+ 0 0 58 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.903 110.7 49.8 -61.3 -43.2 56.2 66.8 14.8 165 165 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.947 114.4 43.2 -59.6 -52.1 58.4 69.8 13.7 166 166 A V H X S+ 0 0 60 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.937 114.7 49.2 -63.6 -46.8 59.7 68.1 10.6 167 167 A A H X S+ 0 0 41 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.911 115.5 44.0 -58.5 -41.6 56.3 66.6 9.6 168 168 A S H X S+ 0 0 0 -4,-2.2 -106,-1.9 -5,-0.3 4,-1.7 0.848 112.2 52.1 -76.7 -32.0 54.6 70.0 10.0 169 169 A F H X S+ 0 0 59 -4,-2.6 4,-1.9 -108,-0.2 -2,-0.2 0.940 112.3 46.1 -64.0 -45.8 57.4 72.0 8.2 170 170 A E H X S+ 0 0 73 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.889 110.1 54.1 -67.7 -35.2 57.2 69.6 5.2 171 171 A R H X S+ 0 0 79 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.913 110.7 46.0 -62.7 -38.9 53.4 69.8 5.2 172 172 A A H >< S+ 0 0 14 -4,-1.7 3,-0.5 2,-0.2 -1,-0.2 0.860 110.4 52.9 -69.1 -37.8 53.5 73.6 5.1 173 173 A K H 3< S+ 0 0 125 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 114.5 42.8 -67.3 -36.4 56.2 73.7 2.4 174 174 A N H 3< 0 0 121 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.400 360.0 360.0 -90.3 -6.6 54.1 71.4 0.2 175 175 A K << 0 0 201 -4,-0.6 -2,-0.1 -3,-0.5 -1,-0.1 0.990 360.0 360.0 -52.4 360.0 50.8 73.1 0.8