==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-JUL-00 1FA2 . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: IPOMOEA BATATAS; . AUTHOR B.I.LEE,C.G.CHEONG,S.W.SUH . 498 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 3.4 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 37 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 2 0 3 0 0 1 0 1 2 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 1 3 2 1 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 A 0 0 143 0, 0.0 407,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.3 82.1 64.4 33.4 2 2 A P - 0 0 56 0, 0.0 406,-0.1 0, 0.0 405,-0.0 -0.109 360.0-101.6 -61.1 159.4 80.1 65.0 30.3 3 3 A I > - 0 0 120 404,-0.2 3,-1.9 1,-0.1 0, 0.0 -0.719 45.4-106.7 -83.4 126.9 80.1 62.8 27.2 4 4 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.209 102.8 20.0 -55.0 141.2 82.3 64.3 24.5 5 5 A G T 3 S+ 0 0 89 1,-0.2 2,-0.8 -3,-0.0 -2,-0.0 0.334 92.5 121.9 82.7 -8.6 80.3 65.7 21.5 6 6 A V < - 0 0 76 -3,-1.9 -1,-0.2 401,-0.1 -3,-0.1 -0.801 40.8-172.5 -94.1 109.3 77.1 65.9 23.6 7 7 A M - 0 0 47 -2,-0.8 400,-0.1 -3,-0.1 401,-0.1 -0.877 22.1-130.9-101.9 109.3 75.8 69.5 23.6 8 8 A P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 4,-0.2 -0.295 13.7-124.3 -62.6 143.4 72.9 69.9 26.0 9 9 A I G > S+ 0 0 139 1,-0.3 3,-2.7 2,-0.2 438,-0.1 0.756 100.3 80.7 -54.8 -31.9 69.8 71.7 24.7 10 10 A G G 3 S+ 0 0 16 1,-0.3 -1,-0.3 396,-0.1 -3,-0.0 0.629 84.7 61.8 -54.0 -14.0 69.9 74.3 27.5 11 11 A N G < S+ 0 0 0 -3,-1.7 -1,-0.3 399,-0.1 -2,-0.2 0.568 79.1 110.5 -88.7 -11.7 72.6 76.1 25.5 12 12 A Y < - 0 0 10 -3,-2.7 2,-0.4 -4,-0.2 432,-0.2 -0.364 49.5-167.5 -64.4 138.9 70.2 76.7 22.6 13 13 A V - 0 0 2 430,-1.0 404,-0.1 -2,-0.1 403,-0.1 -0.992 22.4-118.4-133.8 124.8 69.1 80.4 22.1 14 14 A S E -a 417 0A 7 402,-0.5 404,-1.8 -2,-0.4 2,-0.4 -0.287 23.9-159.1 -64.0 145.1 66.3 81.4 19.8 15 15 A L E -a 418 0A 0 402,-0.2 34,-2.9 32,-0.2 35,-1.0 -0.985 11.4-179.9-130.7 119.8 67.0 83.6 16.8 16 16 A Y E -ab 419 50A 16 402,-2.1 404,-3.7 -2,-0.4 2,-0.4 -0.820 17.5-138.9-116.9 159.7 64.3 85.7 15.1 17 17 A V E -ab 420 51A 0 33,-2.2 35,-1.7 -2,-0.3 2,-0.3 -0.954 17.7-124.8-120.4 136.9 64.5 88.0 12.2 18 18 A M E - b 0 52A 15 402,-2.2 405,-3.6 -2,-0.4 35,-0.2 -0.615 28.3-127.3 -80.0 138.3 62.6 91.4 11.9 19 19 A L - 0 0 6 33,-1.8 35,-0.1 -2,-0.3 -1,-0.1 -0.397 41.1 -73.7 -80.8 160.1 60.4 91.7 8.8 20 20 A P > - 0 0 45 0, 0.0 3,-1.7 0, 0.0 -1,-0.2 -0.193 52.8-107.6 -52.3 145.9 60.7 94.7 6.4 21 21 A L T 3 S+ 0 0 67 1,-0.3 3,-0.2 2,-0.1 33,-0.1 0.814 111.1 29.8 -47.2 -50.3 59.2 97.9 7.8 22 22 A G T 3 + 0 0 34 1,-0.2 -1,-0.3 4,-0.0 83,-0.0 0.048 67.5 141.8-104.6 30.5 56.1 98.3 5.8 23 23 A V S < S+ 0 0 16 -3,-1.7 2,-0.4 1,-0.2 -1,-0.2 0.654 83.3 42.2 -43.8 -14.8 55.4 94.6 5.1 24 24 A V S S- 0 0 1 -3,-0.2 6,-0.2 6,-0.1 -1,-0.2 -0.941 104.2-121.6-136.1 109.9 51.8 95.8 5.7 25 25 A N - 0 0 71 4,-2.4 4,-0.2 -2,-0.4 -2,-0.0 0.044 21.8-109.1 -50.0 156.6 51.1 99.2 4.0 26 26 A A S S+ 0 0 54 2,-0.1 2,-0.5 79,-0.1 -1,-0.1 0.795 119.6 66.2 -56.3 -29.2 50.0 102.3 5.8 27 27 A D S S- 0 0 112 2,-0.1 2,-5.7 1,-0.1 -2,-0.1 -0.860 120.2-103.2 -89.8 128.7 46.8 101.4 3.9 28 28 A N S S+ 0 0 43 -2,-0.5 2,-0.4 31,-0.2 44,-0.2 -0.046 81.7 131.9 -52.5 53.9 45.8 98.1 5.6 29 29 A V - 0 0 76 -2,-5.7 -4,-2.4 -4,-0.2 -2,-0.1 -0.896 50.3-155.8-117.5 141.5 47.2 96.2 2.5 30 30 A F + 0 0 10 -2,-0.4 3,-0.3 -6,-0.2 -6,-0.1 -0.789 30.1 176.4-113.4 84.6 49.5 93.2 2.3 31 31 A P + 0 0 51 0, 0.0 5,-0.2 0, 0.0 -2,-0.0 -0.273 53.7 34.1 -84.2 171.8 51.1 93.5 -1.2 32 32 A D > + 0 0 105 3,-0.1 4,-2.1 1,-0.1 5,-0.3 0.845 65.0 164.3 52.0 38.4 53.8 91.4 -2.9 33 33 A K H > S+ 0 0 105 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.941 71.3 51.6 -48.0 -54.1 52.5 88.3 -1.2 34 34 A E H 4 S+ 0 0 136 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.917 110.9 45.4 -50.0 -56.8 54.4 86.0 -3.6 35 35 A K H >> S+ 0 0 122 1,-0.2 3,-2.9 2,-0.2 4,-1.2 0.971 112.6 50.2 -52.2 -61.9 57.8 87.8 -3.1 36 36 A V H >X S+ 0 0 15 -4,-2.1 4,-2.6 1,-0.3 3,-0.6 0.846 105.2 56.3 -45.7 -45.8 57.6 87.9 0.7 37 37 A E H 3< S+ 0 0 65 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.3 0.542 105.0 55.0 -70.3 -2.0 56.7 84.3 1.0 38 38 A D H <> S+ 0 0 101 -3,-2.9 4,-1.4 -4,-0.3 -1,-0.2 0.736 108.0 46.4 -96.2 -31.2 59.9 83.5 -0.9 39 39 A E H S+ 0 0 145 -4,-0.5 4,-1.6 -5,-0.2 -1,-0.2 0.904 110.9 45.5 -65.7 -39.9 61.2 80.5 2.8 42 42 A Q H X S+ 0 0 81 -4,-1.4 4,-1.0 2,-0.2 -2,-0.2 0.955 111.2 52.9 -65.5 -49.0 64.8 81.4 2.6 43 43 A V H ><>S+ 0 0 2 -4,-3.3 5,-1.6 1,-0.3 3,-0.7 0.887 111.7 45.7 -51.2 -44.5 64.8 82.7 6.2 44 44 A K H ><5S+ 0 0 84 -4,-2.4 3,-1.4 1,-0.2 -1,-0.3 0.817 107.4 58.4 -69.3 -31.3 63.3 79.4 7.3 45 45 A A H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.648 98.7 61.1 -71.7 -16.9 65.9 77.6 5.2 46 46 A G T <<5S- 0 0 13 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.454 121.0-108.4 -88.6 -2.0 68.6 79.4 7.2 47 47 A G T < 5 + 0 0 12 -3,-1.4 -3,-0.2 1,-0.2 -32,-0.2 0.534 61.6 161.5 87.9 6.9 67.4 77.8 10.4 48 48 A C < - 0 0 2 -5,-1.6 -1,-0.2 1,-0.1 -32,-0.2 -0.225 36.8-142.9 -58.4 151.7 65.8 80.9 11.8 49 49 A D - 0 0 22 -34,-2.9 37,-2.0 1,-0.2 2,-0.3 0.813 61.9 -51.9 -87.8 -32.6 63.3 80.3 14.6 50 50 A G E -bc 16 86A 0 -35,-1.0 -33,-2.2 35,-0.3 2,-0.3 -0.953 53.3 -94.6-177.2-164.7 60.8 83.0 13.7 51 51 A V E -bc 17 87A 1 35,-1.9 37,-2.6 -35,-0.3 2,-0.5 -0.926 17.5-135.0-137.5 161.1 60.3 86.7 12.9 52 52 A M E -bc 18 88A 2 -35,-1.7 -33,-1.8 -2,-0.3 2,-0.4 -0.974 25.2-176.4-119.3 128.1 59.3 89.9 14.7 53 53 A V E - c 0 89A 6 35,-2.2 37,-2.2 -2,-0.5 2,-0.6 -0.969 26.8-119.8-130.3 144.6 56.7 92.2 13.2 54 54 A D E - c 0 90A 22 -2,-0.4 2,-1.4 35,-0.2 37,-0.1 -0.670 13.9-156.7 -80.5 118.4 55.3 95.6 14.2 55 55 A V E - c 0 91A 0 35,-2.5 37,-0.9 -2,-0.6 2,-0.1 -0.705 27.9-145.3 -93.8 83.6 51.5 95.6 14.8 56 56 A W E >> - c 0 92A 8 -2,-1.4 4,-1.9 1,-0.1 3,-1.2 -0.262 15.3-153.7 -58.8 126.4 51.1 99.3 14.1 57 57 A W H 3> S+ 0 0 0 35,-2.5 4,-1.8 37,-0.3 -1,-0.1 0.869 94.5 61.1 -65.2 -38.3 48.5 101.1 16.2 58 58 A G H 34 S+ 0 0 12 36,-0.4 52,-0.3 34,-0.3 -1,-0.3 0.463 110.3 40.8 -70.2 -2.2 48.1 103.7 13.5 59 59 A I H X4 S+ 0 0 5 -3,-1.2 3,-0.9 47,-0.1 4,-0.3 0.751 113.9 46.7-110.0 -45.1 47.0 101.1 11.0 60 60 A I H 3< S+ 0 0 2 -4,-1.9 9,-1.5 1,-0.2 3,-0.2 0.846 125.0 30.3 -69.7 -36.1 44.7 98.8 13.0 61 61 A E T 3< S+ 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 6,-0.1 -0.111 86.9 119.1-115.1 34.6 42.6 101.5 14.6 62 62 A A < + 0 0 44 -3,-0.9 49,-0.3 1,-0.2 -1,-0.1 0.947 68.1 52.9 -64.8 -53.8 43.0 104.0 11.8 63 63 A K S S- 0 0 177 -4,-0.3 -1,-0.2 4,-0.3 5,-0.1 0.821 123.5 -52.9 -56.0 -35.6 39.3 104.4 10.8 64 64 A G B > S-J 67 0B 4 3,-0.5 3,-1.8 46,-0.0 -1,-0.2 -0.914 73.7 -43.0 168.7 164.7 38.3 105.3 14.3 65 65 A P T 3 S- 0 0 41 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.143 119.4 -1.9 -49.6 133.6 38.1 104.5 18.1 66 66 A K T 3 S+ 0 0 120 1,-0.1 2,-1.1 88,-0.1 -5,-0.0 0.295 101.7 113.5 68.3 -11.1 37.4 100.8 18.9 67 67 A Q B < +J 64 0B 114 -3,-1.8 -3,-0.5 -6,-0.1 2,-0.3 -0.751 46.0 176.6 -96.5 95.2 37.0 99.9 15.2 68 68 A Y - 0 0 46 -2,-1.1 2,-0.5 -7,-0.1 -7,-0.2 -0.715 21.3-158.7-100.2 147.9 40.0 97.6 14.4 69 69 A D + 0 0 54 -9,-1.5 4,-0.3 -2,-0.3 3,-0.2 -0.945 17.2 168.2-126.7 107.7 40.8 95.8 11.2 70 70 A W > + 0 0 11 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 0.391 45.1 111.9 -98.7 2.1 43.1 92.8 11.6 71 71 A S H > S+ 0 0 72 2,-0.2 4,-1.5 1,-0.2 3,-0.2 0.870 80.5 37.7 -38.3 -64.3 42.5 91.5 8.0 72 72 A A H >> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 3,-0.9 0.964 115.4 50.5 -59.1 -58.2 45.9 92.1 6.6 73 73 A Y H 3> S+ 0 0 3 1,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.787 107.7 59.1 -52.3 -26.1 48.0 91.2 9.7 74 74 A R H 3X S+ 0 0 82 -4,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.905 107.3 43.3 -68.3 -44.5 45.8 88.0 9.6 75 75 A E H S+ 0 0 1 -4,-2.1 5,-1.6 1,-0.2 3,-0.5 0.903 111.5 51.7 -60.7 -43.8 54.3 83.1 8.3 81 81 A K H ><5S+ 0 0 70 -4,-3.1 3,-1.3 1,-0.2 -1,-0.2 0.867 106.0 56.6 -62.5 -33.8 52.7 80.2 10.1 82 82 A K H 3<5S+ 0 0 154 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 103.9 52.4 -67.1 -30.6 52.7 78.4 6.7 83 83 A C T 3<5S- 0 0 24 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.365 120.1-112.1 -86.8 5.3 56.4 78.8 6.4 84 84 A G T < 5 + 0 0 37 -3,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.882 68.4 138.3 68.6 42.7 56.8 77.2 9.8 85 85 A L < - 0 0 4 -5,-1.6 -35,-0.3 -35,-0.0 -1,-0.2 -0.901 49.4-124.8-120.0 147.8 58.0 80.3 11.8 86 86 A K E -c 50 0A 49 -37,-2.0 -35,-1.9 -2,-0.3 2,-0.5 -0.412 29.7-122.5 -81.7 165.6 57.1 81.5 15.3 87 87 A I E -cd 51 175A 1 87,-3.4 89,-2.3 -37,-0.2 90,-1.3 -0.946 20.2-170.9-125.0 127.4 55.8 85.0 15.8 88 88 A Q E -cd 52 177A 4 -37,-2.6 -35,-2.2 -2,-0.5 2,-0.4 -0.934 20.3-163.8-108.0 108.2 57.1 87.9 17.9 89 89 A A E -cd 53 178A 0 88,-2.2 90,-3.4 -2,-0.7 2,-0.5 -0.803 7.4-153.2 -98.9 134.1 54.4 90.7 17.8 90 90 A I E -cd 54 179A 7 -37,-2.2 -35,-2.5 -2,-0.4 2,-1.5 -0.905 13.8-139.9-103.5 126.5 55.2 94.2 19.0 91 91 A M E -cd 55 180A 0 88,-3.5 90,-1.6 -2,-0.5 2,-1.2 -0.731 27.8-161.7 -84.4 92.1 52.3 96.2 20.2 92 92 A S E +c 56 0A 0 -2,-1.5 -35,-2.5 -37,-0.9 -34,-0.3 -0.642 27.5 166.5 -86.1 92.5 53.4 99.4 18.5 93 93 A F + 0 0 2 -2,-1.2 43,-0.4 -37,-0.2 2,-0.2 -0.063 59.7 81.0 -90.0 31.0 51.7 102.4 20.1 94 94 A H S S- 0 0 8 41,-0.1 -36,-0.4 13,-0.1 2,-0.3 -0.774 82.8 -97.5-131.4 177.8 54.1 104.6 18.3 95 95 A Q - 0 0 34 39,-1.3 2,-0.9 -2,-0.2 90,-0.4 -0.709 23.3-137.3 -97.2 144.5 54.9 106.3 15.0 96 96 A C B -K 106 0C 17 10,-2.7 10,-1.2 -2,-0.3 88,-0.0 -0.795 50.5 -91.0-105.1 88.6 57.4 104.8 12.5 97 97 A G - 0 0 48 -2,-0.9 2,-0.1 1,-0.2 -1,-0.1 0.591 35.7-165.6 3.4 119.2 59.3 107.8 11.3 98 98 A G + 0 0 41 7,-0.2 -1,-0.2 8,-0.0 7,-0.1 -0.442 36.8 148.1-116.2 54.3 57.9 109.6 8.2 99 99 A N > - 0 0 99 4,-0.2 3,-1.0 5,-0.2 97,-0.0 -0.301 67.1 -86.4 -86.1 172.3 61.0 111.6 7.4 100 100 A V T 3 S+ 0 0 136 1,-0.3 2,-1.0 2,-0.1 -1,-0.1 0.832 113.5 83.1 -42.5 -45.5 62.4 112.9 4.1 101 101 A G T 3 S- 0 0 74 1,-0.2 2,-2.2 3,-0.0 -1,-0.3 0.327 98.1-131.5 -48.7 10.4 64.2 109.6 3.7 102 102 A D < + 0 0 59 -2,-1.0 -1,-0.2 -3,-1.0 3,-0.1 -0.020 52.0 151.6 64.1 -37.1 61.0 108.2 2.3 103 103 A A - 0 0 47 -2,-2.2 -4,-0.2 1,-0.1 -1,-0.2 0.032 69.2 -69.1 -30.0 120.2 61.0 105.0 4.5 104 104 A V - 0 0 48 1,-0.1 2,-0.6 -3,-0.1 -5,-0.2 0.335 52.8-133.6 -15.3 135.8 57.3 104.2 4.9 105 105 A F + 0 0 108 -7,-0.1 -7,-0.2 -3,-0.1 -8,-0.2 -0.908 31.0 166.9-108.9 115.4 55.4 106.7 7.0 106 106 A I B -K 96 0C 7 -10,-1.2 -10,-2.7 -2,-0.6 -48,-0.1 -0.883 9.5-178.4-129.9 100.1 53.0 105.3 9.7 107 107 A P - 0 0 28 0, 0.0 -49,-0.3 0, 0.0 3,-0.1 -0.138 37.5 -87.7 -82.6-173.2 51.7 107.7 12.3 108 108 A I S S- 0 0 1 25,-0.4 5,-0.2 1,-0.2 -50,-0.1 -0.482 78.4 -46.5 -89.2 167.8 49.5 106.9 15.2 109 109 A P >> - 0 0 0 0, 0.0 3,-2.3 0, 0.0 4,-1.2 -0.065 56.7-137.7 -38.7 115.9 45.7 106.9 14.7 110 110 A Q H 3> S+ 0 0 155 1,-0.3 4,-1.3 -52,-0.3 5,-0.1 0.743 100.7 63.5 -50.5 -30.5 45.0 110.2 12.9 111 111 A W H 3> S+ 0 0 31 -49,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.780 102.4 51.1 -68.4 -24.4 42.0 111.0 15.0 112 112 A I H X> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 3,-0.5 0.874 105.7 54.1 -76.6 -40.0 44.3 111.1 18.0 113 113 A L H 3< S+ 0 0 31 -4,-1.2 4,-0.4 1,-0.3 -2,-0.2 0.785 105.7 55.2 -64.6 -25.5 46.6 113.5 16.2 114 114 A Q H 3< S+ 0 0 141 -4,-1.3 4,-0.5 2,-0.2 -1,-0.3 0.771 107.0 49.3 -78.7 -24.5 43.6 115.7 15.7 115 115 A I H XX S+ 0 0 37 -4,-0.7 3,-1.7 -3,-0.5 4,-0.9 0.945 110.0 48.3 -77.1 -47.6 42.9 115.8 19.4 116 116 A G T 3< S+ 0 0 3 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.703 96.1 80.3 -62.8 -14.2 46.4 116.7 20.3 117 117 A D T 34 S+ 0 0 121 -4,-0.4 -1,-0.3 -5,-0.3 -2,-0.2 0.866 107.1 24.6 -59.5 -38.7 45.9 119.3 17.6 118 118 A K T <4 S+ 0 0 200 -3,-1.7 -1,-0.3 -4,-0.5 -2,-0.2 0.422 131.9 46.8-104.6 -2.2 44.0 121.5 20.1 119 119 A N >< + 0 0 31 -4,-0.9 3,-1.4 1,-0.1 -1,-0.2 -0.605 60.2 169.6-139.9 75.3 45.8 119.9 23.0 120 120 A P G > + 0 0 42 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 0.759 66.8 82.0 -56.2 -30.0 49.6 119.7 22.4 121 121 A D G 3 S+ 0 0 29 1,-0.3 92,-0.3 10,-0.1 4,-0.1 0.454 72.5 77.0 -59.9 -0.3 50.2 118.7 26.0 122 122 A I G < S+ 0 0 0 -3,-1.4 15,-2.6 -6,-0.2 -1,-0.3 0.661 89.4 70.2 -82.6 -15.5 49.4 115.1 25.1 123 123 A F E < S-L 136 0D 3 -3,-2.5 2,-0.2 13,-0.2 13,-0.1 -0.632 100.4 -92.5 -99.7 158.4 52.8 114.9 23.5 124 124 A Y E -L 132 0D 3 8,-0.6 8,-1.8 11,-0.6 2,-0.4 -0.515 48.7-159.3 -68.2 132.1 56.2 114.8 25.2 125 125 A T E -L 131 0D 4 83,-0.3 85,-2.3 -2,-0.2 86,-0.3 -0.955 12.7-151.7-124.2 137.1 57.5 118.4 25.4 126 126 A N > - 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