==== 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 06-JAN-05 1YGZ . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HELICOBACTER PYLORI; . AUTHOR C.A.WU,N.K.LOKANATH,D.Y.KIM,H.J.PARK,H.Y.HWANG,S.T.KIM,S.W.S . 1032 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46563.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 268 26.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 . 108 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 0 0 0 0 0 6 0 6 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 9 6 6 12 2 16 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 . 6 0 0 0 0 0 0 6 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 X 0 0 91 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-169.0 54.5 33.1 10.8 2 2 A N > - 0 0 86 1,-0.1 3,-1.5 3,-0.0 32,-0.1 -0.697 360.0-177.8-135.8 80.7 52.5 33.3 7.6 3 3 A L G > S+ 0 0 31 1,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.861 82.2 69.5 -45.5 -36.4 48.9 34.1 8.1 4 4 A E G 3 S+ 0 0 178 1,-0.3 -1,-0.3 29,-0.2 -2,-0.0 0.870 104.5 37.1 -53.4 -43.0 48.5 33.8 4.3 5 5 A K G < S+ 0 0 153 -3,-1.5 2,-0.6 2,-0.1 -1,-0.3 -0.086 92.1 113.2-102.4 35.9 49.0 30.0 4.4 6 6 A L S < S- 0 0 60 -3,-2.0 2,-0.4 -5,-0.0 -3,-0.0 -0.923 72.4-120.5-112.9 118.5 47.2 29.3 7.6 7 7 A E - 0 0 134 -2,-0.6 2,-0.4 1,-0.1 -2,-0.1 -0.345 34.6-154.1 -54.7 109.8 44.0 27.3 7.5 8 8 A V - 0 0 39 -2,-0.4 2,-0.5 -5,-0.0 -1,-0.1 -0.739 6.1-155.7 -95.2 137.6 41.4 29.7 8.9 9 9 A S + 0 0 18 -2,-0.4 7,-2.7 1,-0.1 5,-0.0 -0.946 15.6 177.5-114.0 126.7 38.3 28.5 10.6 10 10 A H E +A 15 0A 59 -2,-0.5 2,-0.5 5,-0.2 5,-0.2 0.062 38.3 126.0-114.4 22.9 35.2 30.7 10.9 11 11 A D E > -A 14 0A 82 3,-1.4 3,-3.0 1,-0.2 77,-0.1 -0.711 65.7-130.6 -81.0 128.5 32.9 28.2 12.6 12 12 A A T 3 S+ 0 0 13 -2,-0.5 76,-3.0 1,-0.3 3,-0.4 0.844 111.2 39.8 -46.4 -38.9 31.5 29.9 15.7 13 13 A D T 3 S+ 0 0 75 74,-0.3 -1,-0.3 1,-0.3 74,-0.1 0.216 123.1 41.9 -98.4 14.0 32.4 26.8 17.7 14 14 A S E < S+A 11 0A 27 -3,-3.0 -3,-1.4 95,-0.1 2,-0.5 -0.506 79.4 167.6-155.7 69.4 35.7 26.3 15.8 15 15 A L E -AB 10 86A 1 71,-4.8 71,-3.2 -3,-0.4 2,-0.7 -0.811 32.0-136.6 -97.7 128.4 37.1 29.8 15.5 16 16 A C E - B 0 85A 3 -7,-2.7 2,-0.5 -2,-0.5 69,-0.2 -0.736 29.7-178.1 -84.1 114.1 40.7 30.3 14.4 17 17 A V E - B 0 84A 0 67,-2.5 67,-2.2 -2,-0.7 2,-0.5 -0.954 21.1-149.6-122.9 122.6 42.2 33.0 16.7 18 18 A V E -CB 56 83A 1 38,-2.3 38,-2.2 -2,-0.5 2,-0.2 -0.751 24.4-136.8 -85.9 123.8 45.8 34.4 16.5 19 19 A I E +C 55 0A 1 63,-2.2 62,-1.3 -2,-0.5 36,-0.3 -0.584 33.2 165.1 -83.8 144.9 46.9 35.4 20.0 20 20 A E E + 0 0 11 34,-3.2 9,-0.9 1,-0.3 2,-0.4 0.498 69.8 38.9-129.3 -18.5 48.8 38.7 20.5 21 21 A I E S-C 54 0A 1 33,-2.6 33,-3.0 7,-0.1 2,-0.3 -0.945 73.2-143.0-140.5 115.5 48.6 39.1 24.2 22 22 A S > - 0 0 30 -2,-0.4 3,-2.8 31,-0.2 5,-0.2 -0.602 42.7 -84.4 -82.6 137.1 48.9 36.3 26.7 23 23 A K T 3 S+ 0 0 44 -2,-0.3 -1,-0.1 1,-0.3 30,-0.1 -0.019 115.2 15.1 -39.1 128.7 46.7 36.4 29.8 24 24 A H T 3 S+ 0 0 120 26,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.202 92.8 130.6 87.1 -13.1 48.3 38.6 32.6 25 25 A S < - 0 0 23 -3,-2.8 25,-1.7 1,-0.1 -1,-0.3 -0.534 44.5-163.9 -73.0 137.0 50.8 40.2 30.2 26 26 A N + 0 0 60 -2,-0.2 18,-2.4 23,-0.2 2,-0.7 0.324 66.7 96.2 -99.0 3.4 50.9 44.0 30.5 27 27 A I E -I 43 0B 46 16,-0.2 2,-1.1 -5,-0.2 -5,-0.2 -0.857 65.3-153.0-100.0 117.4 52.7 44.0 27.1 28 28 A K E -I 42 0B 42 14,-2.6 13,-1.7 -2,-0.7 14,-1.3 -0.750 18.8-175.1 -92.0 97.4 50.5 44.6 24.2 29 29 A Y E -I 40 0B 68 -2,-1.1 11,-0.2 -9,-0.9 2,-0.2 -0.285 7.2-159.0 -80.4 175.1 52.2 42.9 21.2 30 30 A E E -I 39 0B 73 9,-1.0 9,-0.8 -2,-0.1 7,-0.1 -0.663 13.6-131.7-163.8 101.1 50.8 43.2 17.7 31 31 A L E -I 38 0B 10 7,-0.2 2,-0.7 -2,-0.2 7,-0.2 -0.223 17.5-138.7 -55.3 135.0 51.5 40.9 14.8 32 32 A D E >> -I 37 0B 49 5,-1.9 4,-3.4 1,-0.1 5,-0.5 -0.875 9.0-140.3-100.3 118.8 52.5 42.6 11.5 33 33 A K T 45S+ 0 0 88 -2,-0.7 -30,-0.2 1,-0.2 -29,-0.2 0.836 95.8 41.2 -41.5 -51.4 50.8 40.9 8.5 34 34 A E T 45S+ 0 0 142 1,-0.2 -1,-0.2 -3,-0.1 -3,-0.0 0.977 123.8 32.8 -68.5 -57.5 53.8 41.2 6.2 35 35 A S T 45S- 0 0 66 2,-0.1 -2,-0.2 1,-0.1 -1,-0.2 0.887 91.7-140.8 -67.5 -37.0 56.8 40.3 8.5 36 36 A G T <5 + 0 0 13 -4,-3.4 2,-0.4 1,-0.3 -3,-0.2 0.732 58.0 136.7 80.1 21.1 54.7 37.9 10.5 37 37 A A E < -I 32 0B 44 -5,-0.5 -5,-1.9 -7,-0.1 -1,-0.3 -0.830 63.4-109.9-108.9 142.9 56.6 39.4 13.5 38 38 A L E -I 31 0B 65 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.515 31.7-154.8 -68.3 126.6 55.3 40.4 16.9 39 39 A X E -I 30 0B 96 -9,-0.8 2,-1.1 -2,-0.3 -9,-1.0 -0.918 18.5-127.0-106.1 124.6 55.4 44.2 17.1 40 40 A V E +I 29 0B 100 -2,-0.5 -11,-0.2 -11,-0.2 3,-0.1 -0.603 34.2 179.6 -70.7 105.5 55.6 45.5 20.6 41 41 A D E - 0 0 53 -13,-1.7 2,-0.2 -2,-1.1 -12,-0.2 0.861 51.4 -37.2 -79.6 -36.3 52.7 47.9 20.4 42 42 A R E -I 28 0B 72 -14,-1.3 -14,-2.6 -3,-0.1 2,-0.4 -0.856 45.7-120.2 175.7 148.3 52.7 49.4 23.9 43 43 A V E -I 27 0B 71 -2,-0.2 -16,-0.2 -16,-0.2 2,-0.2 -0.836 46.8 -97.0-100.2 135.5 53.2 48.7 27.6 44 44 A L - 0 0 9 -18,-2.4 4,-0.1 -2,-0.4 97,-0.1 -0.292 27.2-153.5 -53.2 115.5 50.3 49.3 30.0 45 45 A Y S S+ 0 0 78 95,-0.3 -1,-0.2 -2,-0.2 260,-0.1 0.820 77.5 61.0 -59.9 -30.4 50.9 52.8 31.4 46 46 A G S S- 0 0 6 94,-0.3 2,-1.3 -20,-0.1 259,-0.1 -0.317 103.2 -94.3 -94.6 178.5 49.0 51.7 34.4 47 47 A A S S+ 0 0 6 258,-0.3 175,-1.4 -2,-0.1 2,-0.2 -0.445 88.2 104.2 -88.6 58.6 49.5 48.9 37.1 48 48 A Q B -J 221 0C 7 -2,-1.3 2,-0.3 173,-0.2 173,-0.2 -0.649 49.2-160.2-128.9-174.1 47.3 46.5 35.2 49 49 A N - 0 0 22 171,-1.6 -23,-0.2 -2,-0.2 -24,-0.1 -0.904 40.2 -78.5-170.8 140.9 47.4 43.4 33.0 50 50 A Y - 0 0 4 -25,-1.7 -26,-2.1 -2,-0.3 3,-0.1 -0.106 29.3-143.2 -48.4 134.4 45.1 41.6 30.6 51 51 A P S S- 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.523 80.6 -0.4 -77.2 -9.1 42.3 39.5 32.2 52 52 A A S S- 0 0 2 -27,-0.1 21,-0.2 21,-0.1 -28,-0.1 -0.962 98.1 -62.5-171.5 161.3 42.6 36.8 29.5 53 53 A N E - D 0 72A 0 19,-0.6 19,-2.4 23,-0.3 2,-0.4 -0.297 52.0-159.0 -53.8 131.9 44.4 36.0 26.3 54 54 A Y E +CD 21 71A 11 -33,-3.0 -34,-3.2 17,-0.2 -33,-2.6 -0.900 28.6 128.3-116.9 145.4 43.8 38.6 23.6 55 55 A G E -CD 19 70A 0 15,-2.5 15,-1.9 -2,-0.4 2,-0.3 -0.736 43.0-106.5-161.8-148.4 44.2 38.1 19.9 56 56 A F E -CD 18 69A 4 -38,-2.2 -38,-2.3 13,-0.3 13,-0.2 -0.969 26.9-100.4-155.8 165.0 42.2 38.6 16.7 57 57 A V > - 0 0 0 11,-1.8 3,-0.7 -2,-0.3 11,-0.2 -0.817 38.6-122.6 -97.0 123.1 40.5 36.6 14.0 58 58 A P T 3 S+ 0 0 5 0, 0.0 10,-0.1 0, 0.0 -42,-0.1 -0.160 87.1 12.7 -58.0 157.1 42.3 36.0 10.7 59 59 A N T 3 S+ 0 0 58 1,-0.1 2,-0.3 8,-0.1 113,-0.2 0.767 98.4 117.4 43.7 43.5 40.8 37.1 7.4 60 60 A T < - 0 0 1 -3,-0.7 2,-0.4 111,-0.1 108,-0.2 -0.983 47.3-155.8-136.2 147.1 38.1 39.2 8.9 61 61 A L + 0 0 60 106,-3.0 2,-0.2 -2,-0.3 109,-0.2 -0.975 16.9 171.8-129.1 121.9 37.4 43.0 8.7 62 62 A G > - 0 0 13 4,-1.8 2,-2.8 -2,-0.4 3,-1.4 -0.648 53.0 -70.2-117.6 176.7 35.5 45.0 11.2 63 63 A S T 3 S+ 0 0 72 1,-0.3 37,-0.1 -2,-0.2 39,-0.1 -0.386 120.8 60.3 -67.7 72.9 34.7 48.6 11.9 64 64 A D T 3 S- 0 0 45 -2,-2.8 -1,-0.3 2,-0.1 37,-0.1 0.202 111.3-106.2-178.4 10.2 38.3 49.5 12.9 65 65 A G S < S+ 0 0 63 -3,-1.4 -2,-0.1 1,-0.2 0, 0.0 0.419 97.0 89.5 68.0 -3.9 40.2 48.7 9.8 66 66 A D S S- 0 0 91 -4,-0.2 -4,-1.8 1,-0.1 -1,-0.2 -0.842 91.2 -89.1-120.6 157.4 41.5 45.6 11.6 67 67 A P - 0 0 23 0, 0.0 2,-0.4 0, 0.0 -6,-0.2 -0.199 66.3 -74.6 -58.6 162.7 40.2 42.1 11.9 68 68 A V - 0 0 4 -11,-0.2 -11,-1.8 -10,-0.1 35,-0.1 -0.469 53.0-129.7 -65.7 118.9 37.7 41.6 14.7 69 69 A D E -D 56 0A 16 33,-0.5 35,-1.8 -2,-0.4 2,-0.3 -0.231 29.7-167.7 -64.1 158.1 39.6 41.4 18.0 70 70 A A E -De 55 104A 2 -15,-1.9 -15,-2.5 33,-0.2 2,-0.4 -0.998 20.6-142.9-153.0 154.9 38.9 38.5 20.5 71 71 A L E -De 54 105A 3 33,-2.4 35,-1.3 -2,-0.3 2,-0.4 -0.924 5.7-162.3-117.2 143.0 39.4 37.2 24.0 72 72 A V E -De 53 106A 0 -19,-2.4 -19,-0.6 -2,-0.4 35,-0.2 -0.641 16.6-153.5-124.7 74.8 40.0 33.5 24.8 73 73 A L + 0 0 17 33,-1.5 2,-0.3 -2,-0.4 -21,-0.1 -0.208 35.4 136.9 -51.4 129.9 39.3 33.1 28.5 74 74 A S - 0 0 4 33,-0.1 -21,-0.1 2,-0.1 -2,-0.1 -0.961 63.9-109.6-165.2 166.8 41.2 30.2 30.0 75 75 A D S S+ 0 0 107 -2,-0.3 2,-0.2 -23,-0.1 -2,-0.1 0.677 98.3 59.3 -81.3 -14.9 43.2 29.4 33.1 76 76 A V S S- 0 0 81 -23,-0.0 2,-0.5 -3,-0.0 -23,-0.3 -0.617 80.8-120.1-110.5 170.1 46.5 29.4 31.2 77 77 A A - 0 0 51 -2,-0.2 2,-0.4 -55,-0.1 -55,-0.1 -0.945 22.6-142.7-112.9 122.3 48.4 31.9 29.1 78 78 A F - 0 0 41 -2,-0.5 3,-0.1 -57,-0.2 4,-0.1 -0.677 34.4 -97.4 -87.1 130.6 49.1 31.1 25.4 79 79 A Q > - 0 0 161 -2,-0.4 3,-3.1 1,-0.1 -60,-0.2 -0.208 45.3-105.8 -48.6 118.8 52.4 32.2 24.1 80 80 A A T 3 S+ 0 0 19 1,-0.3 -60,-0.2 -60,-0.1 -1,-0.1 -0.196 111.5 34.3 -45.6 128.4 51.9 35.4 22.3 81 81 A G T 3 S+ 0 0 22 -62,-1.3 -1,-0.3 1,-0.4 -2,-0.1 0.078 92.8 116.0 109.1 -23.0 52.2 34.5 18.6 82 82 A S < - 0 0 39 -3,-3.1 -63,-2.2 -64,-0.1 -1,-0.4 -0.180 59.9-129.2 -72.7 169.4 50.6 31.1 19.0 83 83 A V E -B 18 0A 59 -65,-0.2 2,-0.3 -3,-0.1 -65,-0.2 -0.947 24.6-177.1-124.0 145.3 47.3 30.1 17.3 84 84 A V E -B 17 0A 9 -67,-2.2 -67,-2.5 -2,-0.3 2,-0.5 -1.000 25.2-126.3-147.4 143.5 44.2 28.6 19.0 85 85 A K E +B 16 0A 63 -2,-0.3 24,-3.3 -69,-0.2 -69,-0.2 -0.775 39.0 169.5 -90.9 122.2 40.7 27.3 18.1 86 86 A A E -BF 15 108A 0 -71,-3.2 -71,-4.8 -2,-0.5 2,-0.4 -0.646 27.9-129.2-124.0-179.1 38.0 28.8 20.1 87 87 A R E - F 0 107A 18 20,-2.2 20,-1.4 -73,-0.2 -74,-0.3 -1.000 30.0-108.9-137.0 133.8 34.2 29.0 20.2 88 88 A L E + F 0 106A 1 -76,-3.0 18,-0.2 -2,-0.4 3,-0.1 -0.439 39.8 163.4 -65.6 125.5 32.1 32.1 20.4 89 89 A V E - 0 0 0 16,-2.4 33,-2.5 1,-0.3 68,-0.4 0.397 66.0 -54.2-118.9 -7.3 30.4 32.4 23.8 90 90 A G E - F 0 105A 0 15,-1.3 15,-2.2 66,-0.2 -1,-0.3 -0.987 53.2-108.7 164.3-156.2 29.5 36.1 23.5 91 91 A V E -GF 155 104A 1 64,-1.2 64,-1.3 13,-0.3 2,-0.8 -0.870 10.5-132.9-173.6 139.4 31.0 39.5 22.9 92 92 A L E -GF 154 103A 0 11,-3.0 11,-1.7 -2,-0.3 2,-0.3 -0.851 25.7-156.8-101.7 105.2 31.8 42.8 24.6 93 93 A N E +G 153 0A 23 60,-1.9 60,-1.8 -2,-0.8 59,-1.1 -0.586 27.0 143.8 -84.1 142.1 30.6 45.8 22.7 94 94 A X E -G 151 0A 1 57,-0.3 7,-1.5 -2,-0.3 2,-0.3 -0.976 35.1-136.5-167.4 161.8 32.2 49.2 23.3 95 95 A E E +GH 150 100A 7 55,-2.9 55,-4.4 -2,-0.3 5,-0.3 -0.970 21.5 175.9-130.6 145.0 33.3 52.4 21.6 96 96 A D E -G 149 0A 16 3,-2.8 3,-0.3 -2,-0.3 53,-0.2 -0.685 55.5 -62.4-133.3-173.8 36.5 54.4 22.0 97 97 A E S S+ 0 0 84 51,-1.5 52,-0.1 1,-0.2 3,-0.1 0.791 136.6 45.1 -43.2 -34.3 38.2 57.5 20.5 98 98 A S S S- 0 0 104 50,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.883 117.5-114.9 -78.5 -40.7 38.3 55.7 17.1 99 99 A G + 0 0 7 -3,-0.3 -3,-2.8 2,-0.0 2,-0.8 -0.979 68.5 12.1 148.8-131.7 34.7 54.4 17.3 100 100 A X B +H 95 0A 56 -2,-0.3 2,-0.5 -5,-0.3 -5,-0.2 -0.757 53.9 161.8 -91.4 107.2 33.1 51.0 17.5 101 101 A D - 0 0 17 -7,-1.5 -37,-0.1 -2,-0.8 -2,-0.0 -0.761 19.1-165.7-127.6 86.9 35.5 48.2 18.4 102 102 A E - 0 0 35 -2,-0.5 -33,-0.5 -9,-0.1 2,-0.4 -0.260 9.8-143.2 -66.5 155.9 33.6 45.1 19.6 103 103 A K E - F 0 92A 2 -11,-1.7 -11,-3.0 -35,-0.1 -33,-0.2 -0.905 11.2-136.6-130.2 104.1 35.5 42.3 21.4 104 104 A L E -eF 70 91A 0 -35,-1.8 -33,-2.4 -2,-0.4 2,-0.5 -0.245 16.1-141.3 -58.4 140.6 34.4 38.7 20.8 105 105 A I E +eF 71 90A 1 -15,-2.2 -16,-2.4 -35,-0.2 -15,-1.3 -0.918 35.7 150.8-107.9 131.8 34.3 36.6 23.9 106 106 A A E -eF 72 88A 1 -35,-1.3 -33,-1.5 -2,-0.5 -18,-0.2 -0.981 35.4-143.4-157.9 167.6 35.5 33.0 23.6 107 107 A L E - F 0 87A 6 -20,-1.4 -20,-2.2 -2,-0.3 -33,-0.1 -0.880 38.8 -94.9-129.1 160.5 37.1 29.9 25.0 108 108 A P E - F 0 86A 3 0, 0.0 -22,-0.3 0, 0.0 5,-0.1 -0.434 56.4 -80.3 -76.1 153.7 39.3 27.3 23.4 109 109 A I >> - 0 0 29 -24,-3.3 3,-2.3 1,-0.1 4,-2.1 -0.241 38.9-122.7 -51.4 133.2 37.9 24.1 21.9 110 110 A D T 34 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.2 5,-0.1 0.829 112.5 67.3 -47.3 -36.6 37.1 21.6 24.6 111 111 A K T 34 S+ 0 0 189 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.850 108.6 38.1 -51.8 -38.7 39.4 19.2 22.8 112 112 A I T <4 S- 0 0 77 -3,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.922 143.3 -4.1 -79.4 -48.7 42.2 21.6 23.7 113 113 A D >< - 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0 0 126 -2,-0.2 -51,-1.5 -3,-0.1 2,-0.3 -0.860 18.6-151.1-138.7 171.8 38.8 76.4 34.7 1014 149 F V E -C 961 0N 27 -2,-0.3 2,-0.6 -53,-0.2 -53,-0.3 -0.972 3.0-164.9-151.3 132.5 36.5 79.4 34.5 1015 150 F K E -C 960 0N 80 -55,-4.0 -55,-3.0 -2,-0.3 2,-0.7 -0.942 16.0-154.1-120.3 107.4 32.8 79.8 33.8 1016 151 F V E -C 959 0N 14 -2,-0.6 -57,-0.3 -57,-0.2 3,-0.1 -0.719 11.9-175.4 -87.9 115.8 31.8 83.4 32.9 1017 152 F K E - 0 0 33 -59,-1.2 2,-0.3 -2,-0.7 -58,-0.2 0.994 44.2-101.1 -69.7 -65.6 28.2 84.2 33.7 1018 153 F G E -C 958 0N 14 -60,-1.7 -60,-2.0 -19,-0.0 -1,-0.3 -0.977 38.2 -60.5 164.8-171.1 28.0 87.7 32.4 1019 154 F F E -C 957 0N 50 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.534 37.2-163.3-100.5 169.2 28.0 91.4 33.4 1020 155 F E E -C 956 0N 82 -64,-1.2 -64,-1.3 -2,-0.2 -33,-0.2 -0.939 26.3 -90.0-145.1 163.7 25.7 93.4 35.6 1021 156 F N > - 0 0 67 -2,-0.3 4,-2.2 -66,-0.2 -66,-0.2 -0.086 43.8 -96.9 -71.9 173.8 24.9 97.1 36.3 1022 157 F K H > S+ 0 0 34 -68,-0.4 4,-3.6 1,-0.2 5,-0.3 0.937 122.2 58.8 -56.1 -50.0 26.5 99.4 38.8 1023 158 F E H > S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 106.5 47.8 -45.4 -53.3 23.7 98.8 41.3 1024 159 F S H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.949 114.1 47.3 -53.4 -53.0 24.5 95.0 41.3 1025 160 F A H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -2,-0.2 0.964 107.0 56.2 -51.2 -60.1 28.2 95.8 41.7 1026 161 F I H X S+ 0 0 42 -4,-3.6 4,-2.1 1,-0.2 5,-0.3 0.861 109.7 48.0 -38.4 -48.2 27.5 98.3 44.5 1027 162 F K H X S+ 0 0 123 -4,-2.3 4,-2.9 -5,-0.3 5,-0.3 0.991 108.3 51.6 -58.5 -62.3 25.8 95.4 46.3 1028 163 F V H X S+ 0 0 20 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.852 110.5 54.9 -42.5 -42.7 28.6 93.0 45.7 1029 164 F L H >X S+ 0 0 3 -4,-3.0 4,-1.8 2,-0.2 3,-1.1 0.987 109.8 38.3 -55.7 -73.6 30.8 95.7 47.2 1030 165 F E H 3X S+ 0 0 84 -4,-2.1 4,-2.4 1,-0.3 5,-0.4 0.877 111.5 64.2 -46.4 -43.1 29.2 96.4 50.5 1031 166 F K H 3X S+ 0 0 154 -4,-2.9 4,-1.3 1,-0.3 -1,-0.3 0.902 110.1 35.4 -48.1 -48.6 28.6 92.7 50.7 1032 167 F A H << S+ 0 0 5 -4,-1.7 -106,-3.0 -3,-1.1 -1,-0.3 0.706 110.5 66.0 -81.9 -19.2 32.3 92.0 50.8 1033 168 F I H >X S+ 0 0 16 -4,-1.8 3,-1.0 -108,-0.2 4,-0.9 0.937 107.7 36.6 -68.5 -48.8 33.0 95.1 52.9 1034 169 F K H 3< S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.906 109.8 64.4 -68.8 -38.8 31.2 93.9 56.0 1035 170 F A T 3< S+ 0 0 52 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.603 97.4 63.5 -57.7 -10.0 32.5 90.4 55.2 1036 171 F Y T <4 0 0 112 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.975 360.0 360.0 -78.9 -64.6 35.9 92.1 55.8 1037 172 F Q < 0 0 150 -4,-0.9 -1,-0.2 -113,-0.2 -2,-0.1 -0.654 360.0 360.0 -98.0 360.0 35.7 93.1 59.5