==== 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 08-FEB-97 1MJW . COMPND 2 MOLECULE: INORGANIC PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.OGANESYAN,E.H.HARUTYUNYAN,S.M.AVAEVA,V.R.SAMYGINA,R.HUBER . 350 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 25.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 26 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 16.6 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 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 2 4 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 98 0, 0.0 3,-1.8 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0-172.9 108.2 3.3 62.8 2 2 A L G > + 0 0 31 35,-0.3 3,-1.0 1,-0.3 35,-0.1 0.645 360.0 68.5 -64.9 -20.1 105.2 4.3 60.7 3 3 A L G 3 S+ 0 0 46 1,-0.2 -1,-0.3 33,-0.1 57,-0.1 0.779 98.4 52.8 -69.2 -24.0 102.9 3.9 63.8 4 4 A N G < S+ 0 0 119 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.260 76.4 119.0 -93.0 4.8 104.7 7.0 65.3 5 5 A V < - 0 0 23 -3,-1.0 13,-0.1 1,-0.1 11,-0.0 -0.587 67.3-117.3 -68.3 142.3 104.2 9.5 62.5 6 6 A P - 0 0 65 0, 0.0 53,-0.4 0, 0.0 3,-0.1 -0.294 14.3-120.6 -67.2 158.1 102.2 12.5 63.5 7 7 A A S S- 0 0 5 1,-0.3 9,-2.9 51,-0.2 2,-0.3 0.812 82.7 -38.1 -65.5 -34.5 98.8 13.3 61.9 8 8 A G - 0 0 17 7,-0.3 3,-0.4 1,-0.1 -1,-0.3 -0.921 45.4-109.2 177.1 156.3 100.1 16.6 60.7 9 9 A K S S+ 0 0 121 -2,-0.3 2,-0.2 1,-0.2 6,-0.1 0.911 116.1 3.8 -61.9 -40.5 102.2 19.6 61.5 10 10 A D B >> S-A 14 0A 102 4,-1.8 4,-2.2 -3,-0.1 3,-0.8 -0.618 98.6-116.1-153.6 81.1 99.1 21.7 61.9 11 11 A L T 34 S+ 0 0 43 -3,-0.4 4,-0.1 1,-0.3 -3,-0.1 -0.422 84.5 7.6 -63.5 137.4 95.7 19.9 61.5 12 12 A P T 34 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 -0.983 131.3 43.3-105.3 1.2 93.7 20.1 59.6 13 13 A E T <4 S+ 0 0 94 -3,-0.8 2,-0.5 1,-0.2 -2,-0.2 0.766 120.3 36.6 -73.3 -28.5 95.4 22.5 57.1 14 14 A D B < S+A 10 0A 16 -4,-2.2 -4,-1.8 74,-0.1 2,-0.3 -0.970 79.3 160.7-134.3 105.9 98.8 20.8 57.1 15 15 A I E -B 87 0B 0 72,-2.3 72,-2.4 -2,-0.5 2,-0.4 -0.830 34.9-127.9-123.1 163.6 98.8 17.0 57.4 16 16 A Y E -B 86 0B 59 -9,-2.9 2,-0.5 -2,-0.3 43,-0.4 -0.965 19.5-158.0-105.1 143.0 101.0 13.9 56.7 17 17 A V E -B 85 0B 0 68,-2.6 68,-2.8 -2,-0.4 2,-0.6 -0.971 11.3-141.9-118.3 132.3 99.7 11.0 54.6 18 18 A V E -BC 84 57B 0 39,-2.8 39,-1.8 -2,-0.5 2,-0.4 -0.813 25.5-135.4 -85.7 118.7 101.2 7.6 54.9 19 19 A I E + C 0 56B 0 64,-2.8 63,-3.7 -2,-0.6 37,-0.3 -0.626 34.8 164.2 -88.3 127.4 101.3 6.2 51.4 20 20 A E E + 0 0 15 35,-2.6 36,-0.2 -2,-0.4 10,-0.2 0.778 69.1 29.3-104.0 -40.6 100.2 2.6 50.9 21 21 A I E S- C 0 55B 3 34,-2.5 34,-3.0 8,-0.1 -1,-0.3 -0.991 76.3-138.1-130.1 119.3 99.6 2.3 47.2 22 22 A P > - 0 0 16 0, 0.0 3,-0.8 0, 0.0 29,-0.3 -0.418 32.0 -94.7 -66.0 155.1 101.5 4.3 44.5 23 23 A A T 3 S+ 0 0 14 1,-0.2 31,-0.1 50,-0.2 30,-0.0 -0.408 105.2 8.5 -65.4 145.7 99.8 5.9 41.5 24 24 A N T 3 S+ 0 0 70 27,-2.2 -1,-0.2 1,-0.2 2,-0.1 0.765 96.0 139.3 61.4 33.4 99.9 3.8 38.4 25 25 A A < - 0 0 35 -3,-0.8 -1,-0.2 26,-0.2 26,-0.1 -0.459 61.9 -70.0-100.2 177.4 101.4 0.7 40.0 26 26 A D - 0 0 123 -2,-0.1 2,-2.8 1,-0.1 -1,-0.2 -0.262 64.4 -90.5 -57.0 157.1 100.7 -3.0 39.6 27 27 A P S S+ 0 0 54 0, 0.0 18,-2.6 0, 0.0 2,-0.5 -0.249 81.3 131.9 -77.0 55.9 97.3 -4.1 40.9 28 28 A I E -H 44 0C 33 -2,-2.8 2,-1.0 16,-0.2 16,-0.2 -0.956 48.4-148.4-111.9 120.8 98.5 -4.9 44.4 29 29 A K E -H 43 0C 23 14,-2.8 13,-3.0 -2,-0.5 14,-1.3 -0.813 22.2-175.0 -88.0 100.3 96.6 -3.5 47.3 30 30 A Y E -H 41 0C 65 -2,-1.0 2,-0.3 11,-0.2 11,-0.2 -0.665 4.4-177.5 -87.3 151.4 99.0 -2.9 50.1 31 31 A E E -H 40 0C 74 9,-2.5 9,-3.1 -2,-0.3 2,-0.5 -0.996 30.2-115.3-142.3 150.3 98.0 -1.8 53.6 32 32 A I E -H 39 0C 5 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.672 31.3-129.3 -75.7 122.7 100.0 -0.9 56.7 33 33 A D > - 0 0 44 5,-2.6 4,-3.0 -2,-0.5 5,-0.2 -0.667 10.9-146.8 -69.8 124.5 99.3 -3.3 59.6 34 34 A K T 4 S+ 0 0 90 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.718 94.5 51.7 -77.5 -15.0 98.5 -1.2 62.6 35 35 A E T 4 S+ 0 0 184 1,-0.1 -1,-0.2 3,-0.1 -32,-0.0 0.940 126.2 18.8 -77.9 -49.3 100.0 -3.8 65.0 36 36 A S T 4 S- 0 0 62 2,-0.2 -2,-0.2 -33,-0.0 -33,-0.1 0.677 88.3-131.9 -90.9 -25.6 103.4 -4.2 63.3 37 37 A G < + 0 0 13 -4,-3.0 -35,-0.3 1,-0.3 2,-0.2 0.589 64.8 133.3 78.1 6.2 103.7 -1.0 61.2 38 38 A A - 0 0 43 -5,-0.2 -5,-2.6 -37,-0.1 2,-0.7 -0.611 66.4-103.7 -94.6 156.1 104.8 -3.4 58.3 39 39 A L E -H 32 0C 70 -2,-0.2 2,-0.3 -7,-0.2 -7,-0.2 -0.643 41.9-169.9 -74.1 115.1 103.4 -3.3 54.7 40 40 A F E -H 31 0C 101 -9,-3.1 -9,-2.5 -2,-0.7 2,-0.7 -0.824 26.8-121.1-101.0 146.7 101.0 -6.2 54.2 41 41 A V E -H 30 0C 71 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.1 -0.762 27.8-177.8 -81.1 115.7 99.5 -7.5 51.0 42 42 A N E - 0 0 62 -13,-3.0 2,-0.3 -2,-0.7 -1,-0.2 0.918 60.9 -41.4 -82.3 -44.5 95.8 -7.1 51.5 43 43 A R E -H 29 0C 64 -14,-1.3 -14,-2.8 -3,-0.1 2,-0.6 -0.976 48.5-104.2-167.3 167.1 94.9 -8.6 48.1 44 44 A F E -H 28 0C 153 -2,-0.3 -16,-0.2 -16,-0.2 -3,-0.0 -0.892 48.6-121.0 -96.1 124.2 95.7 -8.7 44.4 45 45 A M - 0 0 18 -18,-2.6 97,-0.1 -2,-0.6 96,-0.0 -0.360 15.2-151.8 -63.1 144.8 93.1 -6.7 42.6 46 46 A S S S+ 0 0 61 95,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.626 70.6 75.8-100.9 -11.3 91.0 -8.6 40.1 47 47 A T S S- 0 0 20 94,-0.5 2,-1.7 1,-0.1 94,-0.0 -0.647 89.7-113.4 -93.2 158.7 90.1 -5.9 37.6 48 48 A A S S+ 0 0 109 -2,-0.2 2,-0.3 2,-0.0 -2,-0.1 -0.531 78.1 116.4 -89.8 66.6 92.7 -4.4 35.1 49 49 A M - 0 0 40 -2,-1.7 2,-0.3 92,-0.1 -4,-0.1 -0.907 47.9-156.4-128.4 162.7 92.7 -1.0 36.9 50 50 A F - 0 0 89 -2,-0.3 -24,-0.1 -23,-0.1 -27,-0.1 -0.970 35.6 -93.4-136.4 153.6 95.3 1.1 38.7 51 51 A Y - 0 0 2 -2,-0.3 -27,-2.2 -29,-0.3 -26,-0.2 -0.570 27.9-146.1 -64.2 130.1 94.9 3.8 41.3 52 52 A P S S+ 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.608 82.2 18.1 -75.7 -13.7 94.9 7.2 39.5 53 53 A C S S- 0 0 1 -31,-0.1 -29,-0.1 21,-0.1 2,-0.1 -0.904 101.3 -78.8-140.3 171.4 96.7 8.9 42.5 54 54 A N E - D 0 73B 0 19,-2.0 19,-2.4 -2,-0.3 2,-0.4 -0.438 51.4-153.1 -68.8 152.6 98.8 7.7 45.4 55 55 A Y E +CD 21 72B 11 -34,-3.0 -35,-2.6 17,-0.2 -34,-2.5 -0.992 32.7 108.5-134.5 136.3 96.6 6.3 48.2 56 56 A G E -CD 19 71B 0 15,-2.5 15,-3.1 -2,-0.4 2,-0.3 -0.806 47.7 -86.1-172.6-139.4 97.0 6.0 51.9 57 57 A Y E -CD 18 70B 4 -39,-1.8 -39,-2.8 13,-0.3 2,-0.5 -0.841 24.3-110.5-149.2 163.3 95.9 7.3 55.3 58 58 A I > - 0 0 0 11,-1.6 3,-0.6 -2,-0.3 11,-0.3 -0.932 43.4-126.5-101.8 126.0 96.4 10.0 58.0 59 59 A N T 3 S+ 0 0 12 -2,-0.5 -43,-0.1 -43,-0.4 3,-0.1 -0.437 87.5 27.6 -76.2 159.1 97.9 8.3 61.1 60 60 A H T 3 S+ 0 0 95 1,-0.3 2,-0.4 -57,-0.1 112,-0.2 0.820 95.7 114.2 60.7 34.7 96.2 8.8 64.6 61 61 A T < - 0 0 7 -3,-0.6 2,-0.4 111,-0.1 -1,-0.3 -0.976 47.0-163.9-129.9 149.3 92.7 9.3 63.0 62 62 A L - 0 0 44 106,-2.6 109,-0.1 -2,-0.4 2,-0.1 -0.954 6.1-162.6-136.5 117.2 89.7 7.1 63.3 63 63 A S > - 0 0 11 4,-3.1 3,-1.8 -2,-0.4 102,-0.0 -0.308 39.4 -96.7 -91.1 177.5 86.8 7.4 61.0 64 64 A L T 3 S+ 0 0 147 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.879 120.9 63.9 -75.5 -33.3 83.3 5.9 61.6 65 65 A D T 3 S- 0 0 78 2,-0.1 -1,-0.3 36,-0.1 37,-0.0 0.284 120.3-106.8 -57.5 2.4 84.0 2.7 59.6 66 66 A G S < S+ 0 0 47 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.358 87.9 97.4 90.3 -4.3 86.8 1.9 62.2 67 67 A D S S- 0 0 103 1,-0.1 -4,-3.1 3,-0.0 -1,-0.3 -0.722 82.1 -87.6-120.5 160.4 89.8 2.7 60.0 68 68 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.318 59.9 -83.6 -65.2 158.0 92.0 5.8 59.7 69 69 A V - 0 0 5 -11,-0.3 -11,-1.6 96,-0.1 2,-0.2 -0.472 48.9-137.4 -63.8 129.5 90.9 8.4 57.2 70 70 A D E -D 57 0B 20 33,-0.4 35,-2.5 -2,-0.3 2,-0.4 -0.578 19.6-165.6 -98.4 148.0 92.0 7.5 53.7 71 71 A V E -De 56 105B 0 -15,-3.1 -15,-2.5 -2,-0.2 2,-0.4 -0.993 17.4-147.5-134.2 136.9 93.5 10.1 51.3 72 72 A L E -De 55 106B 0 33,-2.9 35,-2.3 -2,-0.4 -17,-0.2 -0.928 21.9-173.3-100.9 128.4 94.2 10.3 47.6 73 73 A V E -D 54 0B 0 -19,-2.4 -19,-2.0 -2,-0.4 2,-0.3 -0.967 11.8-151.3-130.1 109.0 97.3 12.4 46.8 74 74 A P + 0 0 16 0, 0.0 -21,-0.1 0, 0.0 3,-0.0 -0.633 22.0 174.7 -74.0 139.1 98.4 13.3 43.2 75 75 A T - 0 0 29 -2,-0.3 4,-0.0 33,-0.1 -2,-0.0 -0.949 45.2-112.0-139.2 163.7 102.1 13.8 42.6 76 76 A P S S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.821 106.8 19.3 -67.0 -33.9 104.3 14.5 39.6 77 77 A Y S S- 0 0 122 -3,-0.0 -54,-0.1 0, 0.0 0, 0.0 -0.993 98.9 -90.5-135.9 149.8 105.9 11.0 40.1 78 78 A P - 0 0 80 0, 0.0 2,-0.2 0, 0.0 -54,-0.0 -0.174 41.9-132.8 -63.6 147.2 104.6 7.9 42.0 79 79 A L - 0 0 46 -58,-0.1 3,-0.0 1,-0.1 -4,-0.0 -0.519 21.9-100.4 -96.3 168.0 105.7 7.6 45.6 80 80 A Q > - 0 0 141 -2,-0.2 3,-2.1 1,-0.1 -61,-0.2 -0.607 40.9-103.7 -84.8 143.9 107.1 4.6 47.4 81 81 A P T 3 S+ 0 0 34 0, 0.0 -61,-0.2 0, 0.0 3,-0.1 -0.405 109.9 28.5 -59.8 137.4 104.8 2.5 49.6 82 82 A G T 3 S+ 0 0 24 -63,-3.7 2,-0.2 1,-0.3 -62,-0.1 0.375 92.2 126.4 89.2 -1.7 105.5 3.3 53.2 83 83 A S < - 0 0 38 -3,-2.1 -64,-2.8 -64,-0.2 2,-0.5 -0.517 53.3-136.5 -95.7 161.2 106.7 6.8 52.5 84 84 A V E -B 18 0B 57 -66,-0.2 2,-0.4 -2,-0.2 -66,-0.2 -0.901 19.2-168.6-116.4 123.5 105.1 9.8 54.3 85 85 A I E -B 17 0B 11 -68,-2.8 -68,-2.6 -2,-0.5 2,-0.4 -0.931 21.3-127.9-122.0 145.5 104.2 13.0 52.4 86 86 A R E +B 16 0B 29 -2,-0.4 24,-2.5 -70,-0.2 2,-0.3 -0.653 43.8 163.2 -87.0 130.1 103.2 16.4 53.7 87 87 A C E -BF 15 109B 0 -72,-2.4 -72,-2.3 -2,-0.4 -14,-0.0 -0.894 37.0-129.9-143.4 165.4 99.9 17.6 52.1 88 88 A R E - F 0 108B 37 20,-2.7 20,-2.3 -2,-0.3 -74,-0.1 -0.995 32.5-120.1-123.7 131.6 97.0 20.0 52.2 89 89 A P E + F 0 107B 2 0, 0.0 18,-0.3 0, 0.0 3,-0.1 -0.420 36.7 164.7 -69.5 137.1 93.4 18.7 52.0 90 90 A V E - 0 0 0 16,-3.0 33,-0.6 1,-0.4 68,-0.5 0.442 55.3 -8.6-124.6 -14.0 91.3 20.0 49.1 91 91 A G E - F 0 106B 0 15,-1.6 15,-2.8 67,-0.2 -1,-0.4 -0.992 49.3-127.1-171.1 169.6 88.2 17.8 48.7 92 92 A V E -GF 156 105B 3 64,-2.1 64,-2.3 -2,-0.3 2,-0.6 -0.999 10.3-148.7-140.3 141.2 86.2 14.8 49.6 93 93 A L E -GF 155 104B 0 11,-3.0 11,-2.2 -2,-0.4 2,-0.4 -0.939 21.2-153.5-100.1 116.5 84.7 12.1 47.4 94 94 A K E +GF 154 103B 48 60,-2.8 59,-3.5 -2,-0.6 60,-1.2 -0.792 23.3 161.4 -95.1 139.4 81.5 10.7 49.1 95 95 A M E -GF 152 102B 3 7,-2.4 7,-3.8 -2,-0.4 2,-0.3 -0.948 30.5-141.5-142.2 163.5 80.4 7.2 48.3 96 96 A T E +GF 151 101B 39 55,-2.5 55,-2.7 -2,-0.3 5,-0.3 -0.977 25.8 169.9-126.0 143.7 78.2 4.4 49.6 97 97 A D E > -GF 150 100B 18 3,-3.0 3,-1.5 -2,-0.3 53,-0.2 -0.580 54.7 -71.5-137.2-161.6 79.2 0.7 49.4 98 98 A E T 3 S+ 0 0 63 51,-0.7 3,-0.1 1,-0.3 52,-0.1 0.576 131.1 47.0 -81.4 -6.2 77.8 -2.7 50.8 99 99 A A T 3 S- 0 0 84 1,-0.3 -1,-0.3 -34,-0.0 2,-0.3 0.189 120.6 -92.2-102.9 11.8 79.0 -1.7 54.3 100 100 A G E < S- F 0 97B 34 -3,-1.5 -3,-3.0 2,-0.0 -1,-0.3 -0.736 73.8 -4.5 116.4-168.1 77.6 1.8 54.5 101 101 A E E - 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0 0 23 -4,-1.5 -1,-0.4 1,-0.1 3,-0.3 -0.953 42.9-148.5-164.2 141.6 93.6 13.9 24.6 291 115 B K S > S+ 0 0 117 -2,-0.3 3,-1.9 1,-0.1 4,-0.3 0.562 80.8 94.2 -85.1 -13.1 91.5 16.8 26.0 292 116 B E T 3 S+ 0 0 82 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.722 90.0 39.9 -54.1 -21.9 94.1 17.5 28.8 293 117 B Y T > S+ 0 0 26 -3,-0.3 3,-1.5 -8,-0.1 -1,-0.3 0.315 79.0 107.9-115.7 13.8 95.8 20.2 26.7 294 118 B D T < S+ 0 0 57 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.855 77.9 55.1 -58.8 -36.8 92.8 21.9 25.1 295 119 B H T 3 S+ 0 0 136 -4,-0.3 2,-1.0 -3,-0.2 3,-0.3 0.581 86.6 88.5 -78.5 -7.3 93.3 25.0 27.3 296 120 B I < + 0 0 7 -3,-1.5 -12,-0.1 1,-0.2 3,-0.1 -0.792 42.4 148.4 -92.3 101.8 96.9 25.5 26.2 297 121 B K + 0 0 117 -2,-1.0 2,-0.3 1,-0.2 -1,-0.2 0.669 63.6 14.9-105.2 -23.4 96.6 27.8 23.1 298 122 B D S >> S- 0 0 51 -3,-0.3 3,-2.6 35,-0.1 4,-0.5 -0.881 86.7 -87.1-149.3 179.4 99.8 29.6 23.5 299 123 B V G >4 S+ 0 0 9 -33,-0.6 3,-0.9 1,-0.3 -32,-0.1 0.837 119.4 58.8 -68.6 -34.4 103.2 29.9 25.2 300 124 B N G 34 S+ 0 0 125 1,-0.2 -1,-0.3 -34,-0.1 4,-0.1 0.615 96.9 64.2 -64.0 -10.3 101.9 31.7 28.1 301 125 B D G <4 S+ 0 0 68 -3,-2.6 -1,-0.2 -35,-0.2 -2,-0.2 0.674 79.4 99.0 -92.9 -20.1 99.5 28.8 28.9 302 126 B L S << S- 0 0 4 -3,-0.9 5,-0.1 -4,-0.5 -5,-0.0 -0.424 91.2 -94.7 -61.1 139.2 102.3 26.3 29.6 303 127 B P > - 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 -0.165 29.8-130.4 -49.8 134.8 103.0 25.8 33.3 304 128 B E H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.853 105.2 54.8 -56.5 -36.3 105.9 28.0 34.4 305 129 B L H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.913 106.8 50.1 -73.0 -39.4 107.8 25.2 36.0 306 130 B L H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 111.7 48.6 -61.5 -46.7 107.8 23.1 32.8 307 131 B K H X S+ 0 0 14 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.947 111.9 48.6 -61.9 -41.9 109.1 26.0 30.8 308 132 B A H X S+ 0 0 59 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.873 111.5 50.0 -63.4 -37.9 111.8 26.7 33.4 309 133 B Q H X S+ 0 0 87 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.911 110.0 51.7 -67.8 -36.2 112.8 23.0 33.3 310 134 B I H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.960 113.6 42.8 -62.3 -51.8 112.9 23.0 29.5 311 135 B A H X S+ 0 0 15 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 113.9 51.0 -59.2 -46.9 115.2 26.1 29.4 312 136 B H H X S+ 0 0 99 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.891 109.4 51.6 -59.8 -38.1 117.4 24.8 32.2 313 137 B F H >X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 3,-1.0 0.960 110.5 46.3 -66.6 -47.2 117.8 21.4 30.4 314 138 B F H 3< S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.858 111.5 54.5 -68.9 -26.8 118.9 23.0 27.1 315 139 B E H 3< S+ 0 0 73 -4,-2.4 11,-0.5 -5,-0.2 -1,-0.3 0.699 123.1 21.9 -68.2 -25.5 121.3 25.2 29.0 316 140 B H H X< S+ 0 0 63 -3,-1.0 3,-2.0 -4,-1.0 4,-0.2 0.572 92.2 90.3-122.5 -14.4 123.1 22.4 30.8 317 141 B Y T 3< S+ 0 0 12 -4,-2.6 -94,-0.5 1,-0.3 -95,-0.3 0.737 96.9 42.5 -71.1 -19.2 122.8 19.1 29.1 318 142 B K T > S+ 0 0 23 -4,-0.3 3,-2.3 -5,-0.2 -1,-0.3 0.238 80.8 112.5 -97.1 12.3 125.9 19.6 27.0 319 143 B D T < S+ 0 0 93 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.770 79.6 45.0 -54.7 -35.2 128.0 21.0 29.8 320 144 B L T 3 S+ 0 0 105 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.188 93.1 101.0 -97.6 16.7 130.4 18.1 30.0 321 145 B E S X S- 0 0 35 -3,-2.3 3,-1.4 3,-0.2 2,-0.2 -0.942 78.9-120.7-109.2 120.1 130.7 18.0 26.2 322 146 B K T 3 S+ 0 0 193 -2,-0.6 3,-0.1 1,-0.2 -2,-0.1 -0.343 89.7 5.8 -62.1 119.6 133.9 19.6 25.0 323 147 B G T 3 S+ 0 0 70 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.579 106.1 104.2 84.5 9.4 133.4 22.5 22.6 324 148 B K < + 0 0 96 -3,-1.4 2,-0.3 -6,-0.3 -1,-0.2 -0.965 35.4 153.9-120.4 139.6 129.6 22.8 22.9 325 149 B W - 0 0 127 -2,-0.4 -51,-0.6 -3,-0.1 2,-0.3 -0.979 20.2-156.0-156.7 158.4 127.4 25.2 24.9 326 150 B V E -O 273 0E 14 -11,-0.5 2,-0.4 -2,-0.3 -53,-0.2 -0.982 4.4-169.8-136.2 146.6 123.9 26.7 24.7 327 151 B K E -O 272 0E 121 -55,-1.5 -55,-3.1 -2,-0.3 2,-0.3 -0.977 22.0-125.3-145.2 132.1 122.3 29.9 26.0 328 152 B V E -O 271 0E 41 -2,-0.4 -57,-0.3 -57,-0.2 3,-0.1 -0.571 20.4-178.9 -84.4 129.7 118.6 30.8 26.1 329 153 B E E - 0 0 129 -59,-2.7 2,-0.3 -2,-0.3 -58,-0.2 0.850 54.3-102.1 -95.7 -47.0 117.2 33.9 24.5 330 154 B G E -O 270 0E 23 -60,-1.5 -60,-2.4 2,-0.0 -1,-0.3 -0.918 40.1 -47.5 153.2-161.4 113.6 33.2 25.5 331 155 B W E -O 269 0E 67 -2,-0.3 2,-0.3 -62,-0.2 -62,-0.2 -0.716 39.2-166.2 -97.7 141.3 110.1 32.1 24.6 332 156 B E E -O 268 0E 76 -64,-2.7 -64,-2.2 -2,-0.3 -33,-0.0 -0.856 25.2 -98.9-120.8 172.6 108.1 33.1 21.5 333 157 B N > - 0 0 74 -2,-0.3 4,-1.8 -66,-0.2 3,-0.3 0.054 35.5 -92.7 -90.1-175.2 104.4 32.6 20.8 334 158 B A H > S+ 0 0 4 -68,-0.4 4,-2.8 1,-0.3 -67,-0.2 0.853 122.5 55.6 -65.4 -36.1 102.3 30.1 18.7 335 159 B E H > S+ 0 0 123 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.881 107.9 48.2 -64.8 -39.2 102.4 32.3 15.6 336 160 B A H > S+ 0 0 30 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.873 111.6 51.6 -68.9 -34.6 106.2 32.3 15.7 337 161 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.938 110.1 48.1 -64.4 -47.7 106.1 28.6 16.1 338 162 B K H X S+ 0 0 26 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.884 108.1 54.9 -62.5 -40.1 103.8 28.2 13.1 339 163 B A H X S+ 0 0 60 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.896 106.1 52.1 -61.8 -39.8 106.0 30.5 11.0 340 164 B E H X S+ 0 0 48 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.947 110.7 48.4 -64.8 -42.6 109.1 28.3 11.7 341 165 B I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 5,-0.3 0.957 115.1 43.5 -57.0 -51.0 107.1 25.2 10.5 342 166 B V H X S+ 0 0 60 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.971 115.2 49.0 -64.0 -43.5 105.8 26.8 7.3 343 167 B A H X S+ 0 0 44 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.937 115.3 43.5 -66.9 -41.8 109.2 28.3 6.5 344 168 B S H X S+ 0 0 0 -4,-2.7 -106,-1.9 -5,-0.3 4,-0.5 0.766 114.0 50.4 -77.0 -24.3 111.0 25.0 7.1 345 169 B F H >X S+ 0 0 57 -4,-2.1 4,-1.1 -108,-0.2 3,-0.9 0.908 112.6 45.4 -70.8 -51.9 108.4 22.9 5.2 346 170 B E H >X S+ 0 0 89 -4,-3.0 4,-1.0 -5,-0.3 3,-0.7 0.943 112.5 53.9 -58.2 -39.8 108.4 25.2 2.1 347 171 B R H 3X S+ 0 0 43 -4,-2.1 4,-0.7 -5,-0.4 -1,-0.3 0.685 100.4 61.6 -60.5 -27.6 112.2 25.2 2.4 348 172 B A H << S+ 0 0 31 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.811 99.3 53.8 -76.6 -33.1 112.3 21.4 2.3 349 173 B K H << S+ 0 0 127 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.871 119.5 26.7 -71.8 -38.7 110.7 21.0 -1.1 350 174 B N H < 0 0 123 -4,-1.0 -1,-0.2 0, 0.0 -2,-0.2 0.497 360.0 360.0 -97.7 -2.1 113.0 23.2 -3.2 351 175 B K < 0 0 166 -4,-0.7 0, 0.0 -5,-0.1 0, 0.0 -0.724 360.0 360.0-146.2 360.0 116.3 23.0 -1.3