==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 29-JUN-87 5TMN . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR H.M.HOLDEN,D.E.TRONRUD,A.F.MONZINGO,L.H.WEAVER,B.W.MATTHEWS . 317 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12584.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 1 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 E I 0 0 88 0, 0.0 2,-0.6 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 123.1 33.5 41.0 0.1 2 2 E T + 0 0 137 21,-0.1 2,-0.3 23,-0.0 21,-0.0 -0.832 360.0 93.3 -95.7 124.1 33.2 44.9 0.6 3 3 E G S S- 0 0 43 -2,-0.6 2,-0.4 22,-0.0 22,-0.2 -0.946 71.6 -40.5-176.8-160.7 33.9 46.0 4.2 4 4 E T E -A 24 0A 80 20,-2.5 20,-3.3 -2,-0.3 2,-0.2 -0.780 48.9-125.1 -96.3 128.5 36.4 47.2 6.7 5 5 E S E +A 23 0A 68 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.485 44.5 153.2 -66.5 133.0 40.0 45.8 7.0 6 6 E T E -A 22 0A 40 16,-2.2 16,-1.9 -2,-0.2 2,-0.4 -0.811 40.1-111.0-145.2-173.7 40.9 44.5 10.5 7 7 E V E -A 21 0A 87 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.982 26.8-172.8-130.9 129.6 43.1 42.0 12.1 8 8 E G E -A 20 0A 5 12,-2.8 12,-2.4 -2,-0.4 2,-0.4 -0.517 15.5-134.0-107.7 177.4 42.1 38.8 13.8 9 9 E V E +Ab 19 61A 28 51,-1.7 53,-2.9 10,-0.3 2,-0.3 -0.976 30.7 153.6-132.8 146.6 44.1 36.2 15.8 10 10 E G E -Ab 18 62A 0 8,-2.4 8,-2.7 -2,-0.4 2,-0.4 -0.921 38.7-104.2-156.4-176.5 44.1 32.4 15.5 11 11 E R E -A 17 0A 106 51,-1.9 6,-0.2 -2,-0.3 60,-0.2 -0.976 32.5-138.5-122.8 134.4 46.0 29.3 16.1 12 12 E G > - 0 0 4 4,-3.0 3,-2.0 -2,-0.4 56,-0.2 -0.115 35.7 -85.8 -85.6-176.6 47.6 27.3 13.3 13 13 E V T 3 S+ 0 0 31 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.898 129.2 50.0 -52.5 -43.8 47.9 23.5 12.6 14 14 E L T 3 S- 0 0 81 54,-0.1 -1,-0.3 121,-0.1 121,-0.0 0.439 123.4-103.8 -81.6 2.3 51.0 23.2 14.7 15 15 E G S < S+ 0 0 48 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.511 74.3 141.2 90.2 4.1 49.3 25.1 17.7 16 16 E D - 0 0 59 1,-0.1 -4,-3.0 -5,-0.0 2,-0.3 -0.608 49.1-125.7 -84.1 140.6 51.1 28.4 17.1 17 17 E Q E +A 11 0A 124 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.651 36.4 163.8 -89.5 136.2 49.4 31.7 17.6 18 18 E K E -A 10 0A 15 -8,-2.7 -8,-2.4 -2,-0.3 2,-0.3 -0.990 34.9-118.9-148.2 159.8 49.4 34.2 14.8 19 19 E N E -A 9 0A 104 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.783 31.0-166.0 -99.1 143.4 47.6 37.4 13.6 20 20 E I E -A 8 0A 2 -12,-2.4 -12,-2.8 -2,-0.3 2,-0.5 -0.974 24.6-112.6-131.1 150.8 45.8 37.3 10.3 21 21 E N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.663 45.2 170.8 -80.8 121.2 44.4 40.0 8.0 22 22 E T E -A 6 0A 1 -16,-1.9 -16,-2.2 -2,-0.5 2,-0.4 -0.661 27.8-128.8-123.5 176.0 40.5 39.8 7.9 23 23 E T E -AC 5 29A 0 6,-1.5 6,-2.9 -18,-0.2 2,-0.5 -1.000 17.6-141.8-130.8 133.1 37.6 41.9 6.5 24 24 E Y E +AC 4 28A 91 -20,-3.3 -20,-2.5 -2,-0.4 4,-0.2 -0.846 40.8 136.6-105.9 124.6 34.6 43.0 8.5 25 25 E S S S- 0 0 46 2,-2.7 2,-2.8 -2,-0.5 -22,-0.0 -0.618 93.3 -49.4-161.6 87.0 31.1 43.0 6.9 26 26 E T S S+ 0 0 121 -2,-0.1 2,-0.2 32,-0.0 -2,-0.0 -0.340 139.9 35.6 72.5 -56.5 28.5 41.5 9.3 27 27 E Y S S- 0 0 117 -2,-2.8 -2,-2.7 32,-0.0 2,-0.5 -0.681 96.0-108.6-109.1 172.5 30.8 38.6 9.7 28 28 E Y E -CD 24 57A 54 29,-3.0 29,-2.5 -2,-0.2 2,-0.3 -0.907 40.6-158.7-101.4 122.4 34.7 38.6 9.8 29 29 E Y E -CD 23 56A 39 -6,-2.9 2,-2.1 -2,-0.5 -6,-1.5 -0.781 28.1-116.1-105.5 152.7 36.0 37.1 6.5 30 30 E L S S+ 0 0 0 25,-2.1 11,-2.1 11,-0.3 2,-0.4 -0.565 73.2 126.8 -81.3 75.3 39.4 35.5 5.6 31 31 E Q E -E 40 0B 8 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.950 45.9-159.9-138.6 114.9 40.0 38.2 3.1 32 32 E D E > -E 39 0B 2 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.894 9.1-178.2-101.6 110.3 43.3 40.2 3.3 33 33 E N T 3 + 0 0 63 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.455 69.1 76.8 -88.2 -3.3 43.0 43.6 1.5 34 34 E T T 3 S+ 0 0 88 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.578 83.4 66.7 -82.1 -13.8 46.6 44.6 2.1 35 35 E R S X S- 0 0 45 -3,-0.5 3,-2.4 4,-0.0 -1,-0.1 -0.942 110.6 -65.3-120.0 112.6 48.2 42.4 -0.4 36 36 E G T 3 S- 0 0 27 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.181 113.3 -20.0 52.8-135.8 47.7 43.1 -4.2 37 37 E D T 3 S- 0 0 114 60,-1.7 -1,-0.3 1,-0.3 62,-0.2 0.262 120.3 -79.3 -88.3 15.9 44.1 42.4 -5.2 38 38 E G < - 0 0 2 -3,-2.4 62,-2.3 60,-0.1 2,-0.5 -0.080 28.0-108.8 109.2 156.0 43.6 40.3 -2.0 39 39 E I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.995 36.1-170.6-122.1 120.5 44.2 36.9 -0.4 40 40 E F E -Ef 31 101B 21 60,-2.4 62,-2.1 -2,-0.5 2,-0.4 -0.976 7.8-162.8-120.8 123.3 41.0 34.9 0.0 41 41 E T E - f 0 102B 0 -11,-2.1 14,-2.7 -2,-0.4 -11,-0.3 -0.932 12.4-163.8-113.7 130.0 40.6 31.6 2.0 42 42 E Y E -Gf 54 103B 28 60,-2.8 62,-2.2 -2,-0.4 2,-0.6 -0.820 21.2-127.8-117.1 154.0 37.6 29.3 1.5 43 43 E D E -Gf 53 104B 26 10,-2.7 10,-2.0 -2,-0.3 62,-0.2 -0.868 16.1-173.5 -95.9 116.6 35.9 26.4 3.3 44 44 E A > - 0 0 3 60,-2.6 3,-2.1 -2,-0.6 5,-0.3 0.519 29.9-141.1 -89.0 -5.8 35.5 23.4 1.0 45 45 E K T 3 - 0 0 105 59,-0.4 61,-0.2 1,-0.3 60,-0.1 0.776 60.5 -59.5 56.6 33.6 33.5 21.6 3.7 46 46 E Y T 3 S+ 0 0 110 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.551 114.8 113.0 70.4 12.1 34.9 18.0 3.1 47 47 E R S < S- 0 0 179 -3,-2.1 60,-2.2 58,-0.3 -1,-0.3 -0.533 71.1-132.4-104.9 178.0 33.6 18.2 -0.4 48 48 E T S S+ 0 0 84 -2,-0.2 2,-0.5 58,-0.2 -3,-0.1 0.325 70.9 111.2-113.0 6.1 35.4 18.4 -3.8 49 49 E T S S- 0 0 104 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.720 71.9 -99.2 -85.7 127.8 33.3 21.2 -5.2 50 50 E L S S- 0 0 59 -2,-0.5 -2,-0.1 1,-0.2 -6,-0.0 -0.835 80.6 -5.4-117.0 147.5 35.5 24.3 -5.5 51 51 E P S S- 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.994 79.2-165.8 -83.7 -13.3 36.2 26.9 -4.1 52 52 E G - 0 0 33 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.777 47.7 -23.0 102.8-150.6 33.5 26.4 -1.5 53 53 E S E -G 43 0B 48 -10,-2.0 -10,-2.7 -2,-0.3 -8,-0.1 -0.864 67.9-106.4-104.1 135.5 32.3 29.3 0.8 54 54 E L E -G 42 0B 34 -2,-0.4 2,-0.4 -12,-0.2 -12,-0.3 -0.321 55.3 -96.0 -56.2 134.6 34.5 32.4 1.5 55 55 E W - 0 0 11 -14,-2.7 -25,-2.1 -25,-0.3 2,-0.4 -0.409 50.3-174.2 -65.8 118.7 35.6 31.7 5.1 56 56 E A E +D 29 0A 47 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.2 -0.888 7.4 178.6-114.7 134.4 33.2 33.6 7.6 57 57 E D E -D 28 0A 23 -29,-2.5 -29,-3.0 -2,-0.4 3,-0.1 -0.995 25.7-140.5-137.4 141.2 33.6 33.8 11.4 58 58 E A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.769 94.4 24.4 -73.2 -30.3 31.5 35.6 13.9 59 59 E D S S- 0 0 90 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.330 95.0-113.7-123.6 9.4 34.1 37.0 16.2 60 60 E N S S+ 0 0 19 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.652 82.9 113.6 67.5 13.7 37.5 37.5 14.4 61 61 E Q E -b 9 0A 95 -53,-0.2 2,-0.4 -51,-0.0 -2,-0.3 -0.984 46.4-170.8-119.1 122.2 39.1 34.8 16.7 62 62 E F E +b 10 0A 0 -53,-2.9 -51,-1.9 -2,-0.5 9,-0.1 -0.537 39.5 125.4-116.7 66.4 40.1 31.5 15.0 63 63 E F + 0 0 71 -2,-0.4 2,-0.2 -53,-0.2 -1,-0.1 0.363 37.9 108.7-103.5 5.2 41.0 29.1 17.7 64 64 E A S >> S- 0 0 52 -3,-0.2 3,-1.4 1,-0.1 4,-1.2 -0.501 76.5-120.8 -78.9 150.7 38.7 26.1 16.9 65 65 E S T 34 S+ 0 0 114 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.902 116.0 56.6 -60.9 -33.4 40.4 23.0 15.5 66 66 E Y T 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.757 103.9 56.3 -63.5 -26.6 38.4 23.3 12.4 67 67 E D T X> S+ 0 0 16 -3,-1.4 4,-2.3 1,-0.2 3,-1.3 0.800 85.5 85.6 -73.3 -33.7 39.9 26.9 11.9 68 68 E A H 3X S+ 0 0 14 -4,-1.2 4,-2.1 -3,-0.4 -55,-0.5 0.805 87.8 44.9 -40.9 -57.0 43.6 25.8 12.0 69 69 E P H 3> S+ 0 0 4 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.812 114.2 51.4 -62.8 -30.1 44.2 24.8 8.4 70 70 E A H <> S+ 0 0 0 -3,-1.3 4,-2.4 -4,-0.3 5,-0.3 0.900 107.8 52.7 -72.8 -43.0 42.4 28.1 7.2 71 71 E V H X S+ 0 0 0 -4,-2.3 4,-2.6 -60,-0.2 5,-0.2 0.947 114.6 41.2 -55.0 -49.9 44.6 30.2 9.5 72 72 E D H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.893 113.1 51.1 -69.1 -40.7 47.8 28.7 8.1 73 73 E A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.920 116.6 43.8 -63.4 -42.0 46.8 28.7 4.4 74 74 E H H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.963 119.0 40.8 -65.1 -56.0 45.7 32.4 4.7 75 75 E Y H X S+ 0 0 92 -4,-2.6 4,-2.0 -5,-0.3 3,-0.2 0.928 116.9 48.3 -60.9 -48.3 48.9 33.5 6.7 76 76 E Y H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.809 106.8 55.1 -67.1 -30.9 51.4 31.5 4.7 77 77 E A H X S+ 0 0 0 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.3 0.905 107.5 51.7 -69.4 -33.5 50.0 32.7 1.4 78 78 E G H X S+ 0 0 0 -4,-1.5 4,-2.6 -3,-0.2 -2,-0.2 0.944 110.1 49.0 -64.0 -46.2 50.6 36.3 2.8 79 79 E V H X S+ 0 0 18 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.898 111.5 49.1 -56.2 -45.4 54.3 35.4 3.6 80 80 E T H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.892 109.6 50.8 -61.4 -44.8 54.8 33.9 0.2 81 81 E Y H X S+ 0 0 13 -4,-2.2 4,-2.2 1,-0.2 11,-0.2 0.941 112.5 49.5 -58.5 -44.5 53.3 37.0 -1.5 82 82 E D H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.882 107.2 52.3 -62.7 -41.2 55.7 39.1 0.6 83 83 E Y H X>S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 5,-0.8 0.967 112.3 46.2 -60.5 -51.6 58.8 37.0 -0.3 84 84 E Y H X5S+ 0 0 2 -4,-2.2 6,-2.8 3,-0.2 4,-0.7 0.876 117.4 43.0 -58.4 -41.1 58.0 37.4 -4.1 85 85 E K H X5S+ 0 0 90 -4,-2.2 4,-1.3 4,-0.3 -1,-0.2 0.973 120.5 38.7 -69.7 -54.8 57.4 41.1 -3.8 86 86 E N H <5S+ 0 0 95 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.829 126.8 31.9 -67.4 -38.2 60.3 42.0 -1.5 87 87 E V H <5S+ 0 0 55 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.843 136.2 19.0 -91.8 -41.3 63.0 39.8 -2.9 88 88 E H H < - 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0 0 82 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.812 29.2-124.5 -89.8 126.7 82.1 26.0 -3.8 257 257 E G - 0 0 29 -2,-0.6 -12,-0.2 -11,-0.5 -11,-0.2 -0.431 22.7-171.3 -71.6 144.9 78.8 27.3 -2.3 258 258 E I - 0 0 25 -14,-3.2 4,-0.4 1,-0.2 -13,-0.2 0.349 46.5-110.3-114.0 0.9 77.6 30.9 -3.2 259 259 E G > - 0 0 27 -14,-2.1 4,-1.5 -15,-0.5 -1,-0.2 0.009 28.1 -77.0 93.6 162.3 74.6 31.1 -0.7 260 260 E R H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.825 119.3 58.3 -67.2 -38.6 70.8 31.1 -0.9 261 261 E D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 111.1 42.0 -58.8 -51.0 70.3 34.6 -2.0 262 262 E K H > S+ 0 0 71 -4,-0.4 4,-3.2 2,-0.2 5,-0.2 0.850 112.0 55.1 -65.6 -37.5 72.3 34.2 -5.1 263 263 E L H X S+ 0 0 0 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.959 110.4 47.2 -57.2 -52.2 70.7 30.8 -5.8 264 264 E G H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.925 113.3 49.1 -54.6 -48.9 67.3 32.5 -5.6 265 265 E K H X S+ 0 0 91 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.915 113.5 44.0 -61.1 -45.5 68.4 35.3 -7.9 266 266 E I H X S+ 0 0 1 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.924 115.8 47.6 -68.9 -40.0 69.9 33.0 -10.5 267 267 E F H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 -2,-0.2 0.933 111.2 50.8 -63.9 -43.2 66.9 30.6 -10.4 268 268 E Y H X S+ 0 0 32 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.913 111.7 47.5 -60.7 -45.5 64.2 33.4 -10.7 269 269 E R H X>S+ 0 0 62 -4,-1.8 4,-2.0 -5,-0.3 5,-0.6 0.906 111.4 49.3 -66.3 -40.2 66.0 34.9 -13.6 270 270 E A H X>S+ 0 0 0 -4,-2.0 5,-2.7 3,-0.2 4,-1.7 0.956 114.9 48.0 -58.8 -47.2 66.3 31.5 -15.4 271 271 E L H <5S+ 0 0 1 -4,-3.0 -118,-0.3 1,-0.2 -2,-0.2 0.913 119.7 34.6 -56.7 -52.0 62.5 30.9 -14.7 272 272 E T H <5S+ 0 0 41 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.662 131.9 24.1 -87.2 -18.9 61.3 34.3 -15.9 273 273 E Q H <5S+ 0 0 125 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.740 128.1 22.7-117.3 -32.9 63.7 35.0 -18.8 274 274 E Y T < - 0 0 63 -2,-0.1 3,-1.2 -122,-0.1 -120,-0.1 -0.709 40.2 -89.1-125.2 175.6 60.2 27.6 -22.0 277 277 E P T 3 S+ 0 0 61 0, 0.0 -121,-2.7 0, 0.0 -123,-0.1 0.844 124.9 36.2 -56.9 -33.7 57.4 25.1 -21.7 278 278 E T T 3 S+ 0 0 99 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.246 80.8 143.9-107.5 11.7 59.4 22.2 -23.1 279 279 E S < - 0 0 3 -3,-1.2 -115,-0.2 -126,-0.1 2,-0.2 -0.212 33.3-154.9 -53.3 140.9 62.9 23.0 -21.6 280 280 E N > - 0 0 61 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.493 34.6 -87.9-109.6-179.1 64.9 19.9 -20.6 281 281 E F H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.900 127.9 51.1 -58.5 -40.8 67.7 19.4 -17.9 282 282 E S H > S+ 0 0 46 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.897 110.5 50.3 -65.9 -36.0 70.4 20.4 -20.3 283 283 E Q H > S+ 0 0 89 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 106.8 54.2 -70.7 -32.4 68.5 23.5 -21.2 284 284 E L H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.900 105.2 54.3 -65.7 -39.4 68.0 24.4 -17.6 285 285 E R H X S+ 0 0 33 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.952 110.2 46.0 -57.8 -48.7 71.8 24.1 -17.2 286 286 E A H X S+ 0 0 51 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.894 112.9 50.9 -58.3 -41.1 72.3 26.6 -20.0 287 287 E A H X S+ 0 0 7 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.913 111.1 46.7 -63.8 -47.5 69.6 28.9 -18.6 288 288 E A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.867 113.6 49.2 -64.3 -39.8 71.2 28.9 -15.1 289 289 E V H X S+ 0 0 27 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.933 113.1 47.1 -64.1 -48.3 74.8 29.6 -16.6 290 290 E Q H X S+ 0 0 85 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.865 112.6 49.5 -62.1 -39.8 73.4 32.5 -18.7 291 291 E S H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.892 112.2 47.2 -63.2 -48.0 71.5 34.0 -15.6 292 292 E A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.837 112.5 51.2 -63.2 -38.3 74.6 33.8 -13.4 293 293 E T H X S+ 0 0 37 -4,-2.1 4,-2.0 3,-0.2 -2,-0.2 0.907 110.0 49.4 -63.8 -45.1 76.6 35.4 -16.3 294 294 E D H < S+ 0 0 66 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 120.7 35.9 -60.4 -41.7 74.1 38.2 -16.6 295 295 E L H < S+ 0 0 72 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.825 135.3 14.9 -82.1 -41.1 74.2 38.9 -12.9 296 296 E Y H < S- 0 0 68 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.396 105.2-100.3-118.7 -7.9 77.8 38.3 -11.9 297 297 E G >< - 0 0 32 -4,-2.0 3,-2.3 -5,-0.4 6,-0.4 0.216 35.7 -87.3 93.7 141.4 80.0 38.2 -15.1 298 298 E S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.742 124.8 48.7 -55.1 -28.0 81.4 35.2 -17.1 299 299 E T T 3 S+ 0 0 138 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.143 87.6 119.6-101.9 18.0 84.5 34.9 -15.0 300 300 E S S <> S- 0 0 19 -3,-2.3 4,-1.6 1,-0.1 -3,-0.1 -0.410 73.2-121.8 -81.4 166.9 82.8 35.0 -11.7 301 301 E Q H > S+ 0 0 92 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.775 112.4 63.1 -65.5 -33.0 82.8 32.4 -9.0 302 302 E E H > S+ 0 0 26 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.942 104.7 43.6 -62.0 -49.4 79.0 32.3 -9.3 303 303 E V H > S+ 0 0 2 -6,-0.4 4,-1.9 -11,-0.2 -1,-0.2 0.921 112.9 52.8 -62.7 -41.3 79.2 31.1 -12.8 304 304 E A H X S+ 0 0 34 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.936 107.9 50.3 -60.4 -46.6 81.9 28.6 -12.0 305 305 E S H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.829 107.1 55.3 -58.3 -38.5 79.8 27.1 -9.0 306 306 E V H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.928 110.3 45.5 -61.5 -46.3 76.7 26.7 -11.3 307 307 E K H X S+ 0 0 90 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.927 113.6 48.5 -61.8 -45.4 78.8 24.6 -13.8 308 308 E Q H X S+ 0 0 51 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.928 109.0 53.3 -59.1 -50.8 80.4 22.5 -11.1 309 309 E A H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.932 113.4 43.1 -50.7 -54.0 76.9 21.8 -9.5 310 310 E F H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 4,-0.4 0.923 113.2 51.2 -63.6 -43.1 75.5 20.6 -12.8 311 311 E D H ><5S+ 0 0 70 -4,-2.7 3,-1.3 -5,-0.2 -1,-0.2 0.926 105.6 58.2 -61.6 -38.6 78.6 18.6 -13.6 312 312 E A H 3<5S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.872 110.3 40.9 -58.1 -36.6 78.3 17.0 -10.1 313 313 E V T 3<5S- 0 0 0 -4,-1.4 -96,-2.9 -3,-0.3 -1,-0.3 0.276 120.0-108.2 -93.3 6.9 74.8 15.6 -10.9 314 314 E G T < 5 + 0 0 22 -3,-1.3 2,-1.0 -4,-0.4 -3,-0.2 0.726 67.7 148.3 76.5 22.0 75.8 14.6 -14.4 315 315 E V < 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.789 360.0 360.0 -96.5 98.3 73.8 17.3 -16.2 316 316 E K 0 0 150 -2,-1.0 -5,-0.1 -3,-0.1 -1,-0.1 -0.624 360.0 360.0 82.9 360.0 75.9 17.8 -19.1 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 318 317 E X 0 0 125 0, 0.0 -204,-0.6 0, 0.0 -175,-0.1 0.000 360.0 360.0 360.0 360.0 52.8 18.2 -3.6