==== 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 09-JUL-09 3I7V . COMPND 2 MOLECULE: AP4A HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS VF5; . AUTHOR J.JEYAKANTHAN,S.P.KANAUJIA,N.NAKAGAWA,K.SEKAR,S.KURAMITSU,A. . 268 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 26.9 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 . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 0 0 0 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 2 0 0 2 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 139 0, 0.0 2,-0.2 0, 0.0 75,-0.2 0.000 360.0 360.0 360.0 129.9 30.7 15.3 26.6 2 2 A K E -a 76 0A 49 73,-2.2 75,-3.3 169,-0.1 2,-0.4 -0.664 360.0-144.8 -98.5 154.9 28.3 12.9 28.2 3 3 A K E -a 77 0A 127 -2,-0.2 2,-0.3 73,-0.2 75,-0.2 -0.972 14.4-173.7-123.8 138.1 26.8 13.2 31.7 4 4 A E E -a 78 0A 32 73,-2.1 75,-2.3 -2,-0.4 2,-0.4 -0.957 8.6-158.8-130.3 149.7 26.0 10.4 34.1 5 5 A F E +a 79 0A 86 -2,-0.3 29,-2.8 73,-0.2 2,-0.2 -0.965 17.0 169.2-134.8 117.0 24.3 10.3 37.5 6 6 A S E -aB 80 33A 2 73,-3.1 75,-2.4 -2,-0.4 2,-0.3 -0.737 18.0-152.3-120.1 169.5 24.7 7.6 40.1 7 7 A A E +aB 81 32A 0 25,-2.4 25,-1.9 73,-0.3 2,-0.3 -0.995 20.0 168.1-142.2 140.6 23.8 7.0 43.7 8 8 A G E -aB 82 31A 0 73,-2.4 75,-1.9 -2,-0.3 2,-0.4 -0.850 23.4-117.2-144.1-179.2 25.5 4.9 46.3 9 9 A G E -a 83 0A 0 21,-1.8 2,-0.7 -2,-0.3 75,-0.2 -0.954 4.1-155.1-132.5 148.2 25.7 4.0 50.0 10 10 A V E -a 84 0A 0 73,-2.6 75,-2.3 -2,-0.4 2,-0.4 -0.919 34.6-171.2-115.1 96.1 28.2 4.2 52.8 11 11 A L E -a 85 0A 1 -2,-0.7 7,-2.7 7,-0.4 2,-0.4 -0.782 10.0-160.0-101.6 136.5 26.9 1.5 55.1 12 12 A F E -aC 86 17A 1 73,-2.3 75,-2.3 -2,-0.4 2,-0.4 -0.872 9.0-176.4-115.3 144.7 28.1 0.7 58.6 13 13 A K E > S- C 0 16A 49 3,-2.6 3,-2.5 -2,-0.4 75,-0.0 -0.962 76.7 -24.9-139.0 116.6 27.6 -2.4 60.7 14 14 A D T 3 S- 0 0 149 -2,-0.4 3,-0.1 1,-0.3 120,-0.0 0.898 129.6 -44.6 46.0 50.1 28.9 -2.5 64.3 15 15 A G T 3 S+ 0 0 34 119,-0.5 91,-0.5 1,-0.2 -1,-0.3 0.267 118.3 107.3 83.1 -13.5 31.4 0.2 63.6 16 16 A E E < -CD 13 105A 70 -3,-2.5 -3,-2.6 89,-0.1 2,-0.4 -0.705 61.3-131.7-101.4 154.3 32.7 -1.2 60.3 17 17 A V E -CD 12 104A 0 87,-2.3 87,-2.1 -2,-0.3 2,-0.5 -0.832 16.4-122.9-107.6 142.0 32.1 0.1 56.8 18 18 A L E + D 0 103A 0 -7,-2.7 -7,-0.4 -2,-0.4 2,-0.3 -0.681 35.9 174.3 -84.1 123.0 30.9 -1.9 53.7 19 19 A L E - D 0 102A 0 83,-2.4 83,-2.5 -2,-0.5 2,-0.3 -0.852 18.7-150.6-126.5 162.1 33.2 -1.7 50.7 20 20 A I E -ED 28 101A 6 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.950 16.2-131.0-129.3 148.9 33.4 -3.4 47.3 21 21 A K E -ED 27 100A 61 79,-2.2 78,-2.9 -2,-0.3 79,-0.9 -0.915 26.4-140.7-104.7 122.0 36.5 -4.1 45.1 22 22 A T > - 0 0 21 4,-3.2 3,-2.5 -2,-0.6 76,-0.1 -0.220 28.3-100.4 -75.8 166.7 36.1 -3.0 41.5 23 23 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 75,-0.1 0.772 125.5 59.1 -57.6 -26.1 37.3 -4.9 38.4 24 24 A S T 3 S- 0 0 74 2,-0.2 3,-0.1 1,-0.0 -2,-0.0 0.388 122.3-110.0 -83.7 2.9 40.3 -2.5 38.4 25 25 A N S < S+ 0 0 91 -3,-2.5 2,-0.5 1,-0.3 -4,-0.0 0.733 74.7 136.2 73.8 25.4 41.1 -3.7 41.9 26 26 A V - 0 0 20 88,-0.0 -4,-3.2 87,-0.0 2,-0.4 -0.892 52.5-133.3-105.5 132.6 40.2 -0.5 43.6 27 27 A W E +Ef 21 113A 34 85,-0.6 87,-0.7 -2,-0.5 88,-0.3 -0.703 45.5 141.9 -82.6 133.7 38.2 -0.6 46.8 28 28 A S E -E 20 0A 3 -8,-2.9 -8,-2.5 -2,-0.4 85,-0.0 -0.790 50.2 -68.4-151.6-167.6 35.3 1.8 46.7 29 29 A F - 0 0 2 -2,-0.2 2,-0.2 -10,-0.2 -10,-0.1 -0.722 51.0-102.4 -98.2 146.7 31.6 2.2 47.7 30 30 A P + 0 0 2 0, 0.0 -21,-1.8 0, 0.0 2,-0.3 -0.473 59.0 147.3 -67.4 132.1 28.7 0.3 46.1 31 31 A K E -B 8 0A 51 -23,-0.2 2,-0.3 -2,-0.2 -23,-0.3 -0.966 23.3-170.9-157.1 171.6 26.8 2.5 43.7 32 32 A G E -B 7 0A 9 -25,-1.9 -25,-2.4 -2,-0.3 15,-0.1 -0.994 37.0 -74.5-166.5 162.1 24.8 2.6 40.5 33 33 A N E -B 6 0A 69 -2,-0.3 2,-0.9 -27,-0.3 -27,-0.3 -0.308 49.6-114.2 -61.1 138.9 23.2 4.7 37.8 34 34 A I - 0 0 23 -29,-2.8 -29,-0.1 1,-0.0 -1,-0.1 -0.694 40.1-144.6 -78.0 109.6 19.9 6.3 38.8 35 35 A E > - 0 0 88 -2,-0.9 3,-2.0 1,-0.1 8,-0.1 -0.360 27.7 -81.9 -76.7 155.5 17.4 4.5 36.6 36 36 A P T 3 S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.319 120.3 25.7 -55.6 130.8 14.3 6.1 35.0 37 37 A G T 3 S+ 0 0 7 1,-0.3 2,-0.4 173,-0.1 -2,-0.1 0.507 101.2 109.2 92.4 3.6 11.6 6.2 37.7 38 38 A E < - 0 0 31 -3,-2.0 -1,-0.3 4,-0.0 -4,-0.0 -0.901 59.2-142.3-117.3 145.5 14.0 6.1 40.7 39 39 A K >> - 0 0 105 -2,-0.4 4,-1.9 -3,-0.1 3,-0.7 -0.683 38.9-107.4 -91.8 154.8 14.8 8.8 43.2 40 40 A P H 3> S+ 0 0 28 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.856 119.8 56.9 -53.6 -37.1 18.5 8.7 44.2 41 41 A E H 3> S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.889 106.7 49.3 -61.9 -38.6 17.7 7.2 47.6 42 42 A E H <> S+ 0 0 104 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.889 111.1 49.8 -67.0 -39.0 15.9 4.3 46.0 43 43 A T H X S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-0.3 0.956 109.2 51.7 -63.9 -49.7 18.9 3.7 43.7 44 44 A A H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -35,-0.2 0.911 112.5 44.0 -53.8 -50.5 21.4 3.8 46.5 45 45 A V H X S+ 0 0 53 -4,-2.0 4,-1.9 2,-0.2 11,-0.2 0.938 116.9 46.0 -63.0 -47.2 19.5 1.2 48.6 46 46 A R H X S+ 0 0 57 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.916 113.4 49.2 -62.0 -45.6 18.9 -1.1 45.6 47 47 A E H X S+ 0 0 22 -4,-3.5 4,-2.3 2,-0.2 5,-0.2 0.856 106.7 54.6 -65.4 -37.1 22.5 -0.8 44.4 48 48 A V H X>S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 6,-0.7 0.953 113.5 43.7 -61.6 -45.2 24.0 -1.6 47.8 49 49 A W H X5S+ 0 0 114 -4,-1.9 4,-2.2 4,-0.2 -2,-0.2 0.914 114.7 47.3 -65.4 -44.9 21.9 -4.8 47.8 50 50 A E H <5S+ 0 0 79 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.857 119.6 40.1 -65.9 -34.7 22.5 -5.8 44.2 51 51 A E H <5S+ 0 0 29 -4,-2.3 44,-1.1 -5,-0.2 -2,-0.2 0.756 136.7 12.9 -86.0 -27.6 26.3 -5.2 44.6 52 52 A T H <5S- 0 0 0 -4,-2.2 41,-1.7 -5,-0.2 -3,-0.2 0.528 89.6-123.7-125.6 -14.8 26.8 -6.6 48.1 53 53 A G S < S-G 74 0A 75 3,-1.9 3,-2.4 -2,-0.3 -2,-0.0 -0.925 77.2 -21.0-147.0 116.0 36.1 5.1 27.9 72 72 A K T 3 S- 0 0 191 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.859 130.8 -48.7 50.9 38.7 37.3 4.2 24.4 73 73 A G T 3 S+ 0 0 68 1,-0.3 -1,-0.3 100,-0.0 2,-0.2 0.176 112.0 120.6 91.6 -19.2 38.0 7.9 23.8 74 74 A E E < - G 0 71A 38 -3,-2.4 -3,-1.9 98,-0.1 2,-0.5 -0.530 54.9-140.2 -79.0 146.6 34.6 9.2 25.0 75 75 A R E - G 0 70A 163 -5,-0.2 -73,-2.2 -2,-0.2 2,-0.4 -0.926 18.5-172.0-111.5 130.3 34.6 11.7 27.9 76 76 A I E -aG 2 69A 0 -7,-3.3 -7,-2.0 -2,-0.5 2,-0.7 -0.978 17.1-150.0-125.2 133.6 32.0 11.4 30.6 77 77 A F E -aG 3 68A 52 -75,-3.3 -73,-2.1 -2,-0.4 2,-0.4 -0.897 27.6-166.7-101.7 112.2 31.3 13.8 33.5 78 78 A K E -aG 4 67A 30 -11,-3.2 -11,-2.4 -2,-0.7 2,-0.4 -0.826 14.9-166.6-111.0 141.1 29.8 11.8 36.3 79 79 A T E -aG 5 66A 4 -75,-2.3 -73,-3.1 -2,-0.4 2,-0.4 -0.962 4.5-167.5-122.2 135.1 28.1 12.7 39.5 80 80 A V E -aG 6 65A 0 -15,-2.6 -15,-2.1 -2,-0.4 2,-0.5 -0.981 7.7-156.0-128.8 123.9 27.4 10.4 42.5 81 81 A K E -aG 7 64A 48 -75,-2.4 -73,-2.4 -2,-0.4 2,-0.4 -0.847 17.9-156.6 -97.0 126.4 25.1 11.1 45.4 82 82 A Y E -aG 8 63A 2 -19,-3.1 -20,-2.8 -2,-0.5 -19,-1.4 -0.856 7.2-163.3-110.4 142.5 26.0 9.2 48.6 83 83 A Y E -aG 9 61A 9 -75,-1.9 -73,-2.6 -2,-0.4 2,-0.4 -0.923 22.2-121.1-123.3 144.5 23.8 8.3 51.5 84 84 A L E -aG 10 60A 0 -24,-3.0 -25,-3.2 -2,-0.3 -24,-1.1 -0.680 38.2-173.0 -81.4 132.7 24.7 7.1 55.1 85 85 A M E -aG 11 58A 0 -75,-2.3 -73,-2.3 -2,-0.4 2,-0.4 -0.949 20.9-142.2-132.2 151.0 23.2 3.7 55.8 86 86 A K E -aG 12 57A 54 -29,-2.3 -29,-1.9 -2,-0.3 2,-0.2 -0.881 38.0 -99.9-109.3 141.6 22.8 1.4 58.8 87 87 A Y E + G 0 56A 57 -75,-2.3 -31,-0.2 -2,-0.4 -73,-0.1 -0.411 43.9 167.0 -63.5 124.6 23.1 -2.4 58.4 88 88 A K E - 0 0 97 -33,-2.7 2,-0.3 1,-0.3 -32,-0.2 0.832 55.6 -32.8-104.9 -46.2 19.8 -4.2 58.3 89 89 A E E S+ G 0 55A 110 -34,-1.3 -34,-3.1 0, 0.0 -1,-0.3 -0.953 83.2 63.4-173.1 156.2 20.4 -7.8 57.1 90 90 A G - 0 0 27 -2,-0.3 -36,-0.2 -36,-0.2 -37,-0.1 -0.275 62.4 -96.1 109.2 165.0 22.5 -10.0 54.8 91 91 A E - 0 0 128 -38,-0.4 11,-0.0 -2,-0.1 -1,-0.0 -0.989 46.5 -97.9-125.2 126.4 26.1 -11.1 54.4 92 92 A P + 0 0 36 0, 0.0 -39,-0.2 0, 0.0 9,-0.1 -0.078 53.8 156.7 -44.8 130.4 28.6 -9.3 52.1 93 93 A R - 0 0 91 -41,-1.7 -39,-0.1 7,-0.1 7,-0.1 -0.938 40.2-109.4-157.8 134.2 28.9 -11.1 48.7 94 94 A P - 0 0 55 0, 0.0 -42,-0.2 0, 0.0 7,-0.1 -0.380 23.5-133.3 -72.2 144.0 30.0 -9.7 45.3 95 95 A S - 0 0 21 -44,-1.1 3,-0.5 5,-0.1 -44,-0.1 -0.110 38.7 -94.6 -77.6-172.3 27.7 -9.1 42.4 96 96 A W S S+ 0 0 245 1,-0.2 -1,-0.1 3,-0.0 -45,-0.1 0.652 126.1 55.4 -80.7 -14.3 28.8 -10.2 39.0 97 97 A E S S+ 0 0 128 -75,-0.0 2,-0.3 -46,-0.0 -1,-0.2 0.514 105.1 57.2 -95.3 -8.0 30.1 -6.7 38.3 98 98 A V - 0 0 17 -3,-0.5 -76,-0.2 -76,-0.1 3,-0.1 -0.871 69.4-139.3-123.8 159.0 32.4 -6.5 41.4 99 99 A K S S- 0 0 103 -78,-2.9 2,-0.3 -2,-0.3 -77,-0.2 0.779 80.4 -13.1 -85.3 -29.6 35.3 -8.7 42.6 100 100 A D E -D 21 0A 54 -79,-0.9 -79,-2.2 -7,-0.1 2,-0.3 -0.991 47.5-150.7-166.1 165.0 34.4 -8.6 46.2 101 101 A A E +D 20 0A 4 -2,-0.3 2,-0.3 -81,-0.2 -81,-0.2 -0.977 31.6 152.3-144.2 128.1 32.3 -7.1 49.0 102 102 A K E -D 19 0A 95 -83,-2.5 -83,-2.4 -2,-0.3 2,-0.3 -0.991 42.0-112.9-161.8 151.1 33.4 -6.9 52.6 103 103 A F E -D 18 0A 24 -2,-0.3 -85,-0.2 -85,-0.2 -91,-0.1 -0.651 35.7-172.0 -84.3 139.6 33.2 -5.0 55.9 104 104 A F E -D 17 0A 10 -87,-2.1 -87,-2.3 -2,-0.3 -2,-0.0 -0.975 29.8-105.4-134.4 146.1 36.3 -3.2 57.1 105 105 A P E > -D 16 0A 58 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.380 42.5-110.0 -64.2 150.6 37.3 -1.5 60.3 106 106 A I H > S+ 0 0 34 -91,-0.5 4,-2.1 1,-0.2 -90,-0.1 0.903 117.0 54.6 -47.3 -48.2 37.3 2.3 59.8 107 107 A K H > S+ 0 0 132 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.884 110.8 42.3 -55.7 -47.4 41.1 2.4 60.0 108 108 A E H > S+ 0 0 99 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.863 109.8 59.3 -69.7 -35.1 41.7 -0.2 57.3 109 109 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.890 100.4 56.3 -59.4 -40.8 39.0 1.3 55.1 110 110 A K H < S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 109.3 45.8 -59.3 -39.0 40.9 4.6 55.1 111 111 A K H < S+ 0 0 174 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.781 112.4 50.8 -75.6 -28.7 44.0 2.9 53.7 112 112 A L H < S+ 0 0 49 -4,-1.7 -85,-0.6 -3,-0.1 -2,-0.2 0.864 88.5 92.1 -78.6 -37.7 42.1 1.0 51.1 113 113 A L B < +f 27 0A 7 -4,-2.3 -85,-0.1 -5,-0.2 3,-0.0 -0.271 44.3 169.5 -59.8 142.9 40.1 3.9 49.6 114 114 A K + 0 0 134 -87,-0.7 -1,-0.1 0, 0.0 -86,-0.1 0.717 41.8 90.7-121.9 -48.6 41.8 5.6 46.6 115 115 A Y S > S- 0 0 106 -88,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.282 72.3-130.3 -60.0 137.8 39.5 8.0 44.8 116 116 A K H > S+ 0 0 159 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.915 108.7 50.0 -52.5 -49.7 39.7 11.6 46.0 117 117 A G H > S+ 0 0 12 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.854 106.4 54.9 -59.9 -38.7 35.9 11.7 46.3 118 118 A D H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.900 109.0 47.6 -62.8 -42.1 35.7 8.5 48.2 119 119 A K H X S+ 0 0 108 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.921 114.5 46.8 -65.4 -42.2 38.1 9.8 50.9 120 120 A E H X S+ 0 0 105 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.933 114.3 46.8 -65.4 -45.6 36.1 13.0 51.1 121 121 A I H X S+ 0 0 2 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.897 110.4 53.3 -63.4 -41.5 32.8 11.3 51.3 122 122 A F H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.933 107.7 49.9 -61.1 -45.0 34.1 8.8 53.9 123 123 A E H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.892 113.0 47.1 -61.1 -38.8 35.3 11.6 56.2 124 124 A K H X S+ 0 0 107 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.891 111.4 51.5 -69.3 -37.9 31.9 13.3 55.9 125 125 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.861 107.7 52.9 -66.0 -37.1 30.1 10.0 56.6 126 126 A L H X S+ 0 0 23 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.902 111.1 44.8 -66.3 -42.5 32.2 9.4 59.7 127 127 A K H X S+ 0 0 147 -4,-1.7 4,-0.5 1,-0.2 3,-0.5 0.915 115.4 49.6 -66.9 -41.4 31.4 12.8 61.2 128 128 A L H >X S+ 0 0 41 -4,-2.1 3,-0.6 1,-0.2 4,-0.6 0.813 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16.9 236 101 B A E +K 155 0B 0 -2,-0.3 2,-0.3 -81,-0.3 -81,-0.2 -0.884 29.6 145.5-153.8 116.9 11.6 -9.0 14.2 237 102 B K E -K 154 0B 95 -83,-2.2 -83,-2.6 -2,-0.3 2,-0.4 -0.991 46.5-111.6-153.7 158.8 10.7 -9.1 10.5 238 103 B F E -K 153 0B 29 -2,-0.3 -85,-0.2 -85,-0.2 -91,-0.1 -0.743 37.0-170.7 -90.5 139.7 11.3 -7.4 7.2 239 104 B F E -K 152 0B 27 -87,-2.5 -87,-2.7 -2,-0.4 -2,-0.0 -0.991 30.1-106.0-133.8 140.2 8.2 -5.7 5.8 240 105 B P E >> -K 151 0B 51 0, 0.0 4,-2.4 0, 0.0 3,-0.9 -0.395 40.5-112.8 -60.9 145.9 7.5 -4.2 2.4 241 106 B I H 3> S+ 0 0 36 -91,-1.9 4,-2.1 1,-0.3 -90,-0.1 0.857 115.6 59.5 -47.2 -42.3 7.6 -0.4 2.8 242 107 B K H 3> S+ 0 0 161 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.888 110.4 39.6 -56.0 -44.8 3.8 -0.2 2.1 243 108 B E H X> S+ 0 0 90 -3,-0.9 4,-1.3 1,-0.2 3,-0.5 0.889 109.5 60.7 -74.2 -39.9 2.9 -2.5 5.0 244 109 B A H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.6 0.897 98.8 58.2 -53.1 -44.2 5.5 -0.9 7.3 245 110 B K H 3< S+ 0 0 112 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.880 107.9 45.6 -54.8 -42.1 3.8 2.5 6.9 246 111 B K H << S+ 0 0 178 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.718 111.9 53.6 -74.7 -22.2 0.5 1.0 8.2 247 112 B L H << S+ 0 0 48 -4,-1.3 -85,-0.6 -3,-0.6 -2,-0.2 0.806 84.6 92.9 -84.7 -32.4 2.2 -0.8 11.1 248 113 B L B < +m 162 0B 9 -4,-2.0 -85,-0.1 1,-0.1 3,-0.0 -0.299 44.7 173.9 -62.4 148.9 4.1 2.1 12.7 249 114 B K + 0 0 130 -87,-0.7 -1,-0.1 1,-0.0 -86,-0.1 0.689 47.1 85.9-122.6 -49.8 2.3 3.9 15.5 250 115 B Y S > S- 0 0 109 -88,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.370 71.7-135.7 -61.6 134.1 4.5 6.5 17.2 251 116 B K H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.876 106.8 55.9 -58.6 -39.2 4.4 9.9 15.4 252 117 B G H > S+ 0 0 15 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 105.9 51.7 -59.3 -43.8 8.1 10.1 15.8 253 118 B D H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 109.0 49.0 -60.3 -40.7 8.5 6.8 14.0 254 119 B K H X S+ 0 0 118 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.899 113.3 48.1 -67.0 -38.7 6.3 7.9 11.1 255 120 B E H X S+ 0 0 91 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.901 113.7 46.0 -67.4 -43.2 8.3 11.1 10.8 256 121 B I H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.889 110.9 53.0 -68.0 -39.1 11.6 9.2 10.9 257 122 B F H X S+ 0 0 5 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.889 108.4 50.3 -64.6 -38.4 10.5 6.6 8.4 258 123 B E H X S+ 0 0 74 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.935 111.3 47.4 -65.7 -45.0 9.4 9.3 5.9 259 124 B K H X S+ 0 0 111 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.914 110.7 53.9 -60.3 -41.5 12.8 11.1 6.2 260 125 B A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 106.9 51.0 -60.6 -39.0 14.5 7.7 5.8 261 126 B L H X S+ 0 0 26 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.908 110.5 47.8 -67.2 -42.5 12.6 7.0 2.5 262 127 B K H X S+ 0 0 135 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.966 114.5 46.4 -61.2 -50.7 13.5 10.4 1.0 263 128 B L H X S+ 0 0 29 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.874 109.4 58.5 -58.3 -37.3 17.1 9.8 2.0 264 129 B K H ><>S+ 0 0 31 -4,-2.2 5,-2.1 -5,-0.2 3,-0.5 0.920 103.3 47.9 -59.8 -50.9 16.8 6.3 0.6 265 130 B E H ><5S+ 0 0 112 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.921 105.3 62.4 -57.5 -44.1 15.8 7.3 -3.0 266 131 B K H 3<5S+ 0 0 144 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.854 111.5 36.1 -49.0 -42.3 18.7 9.8 -3.0 267 132 B F T <<5S- 0 0 81 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.364 107.6-125.8 -94.8 4.4 21.2 6.9 -2.5 268 133 B K T < 5 0 0 147 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.842 360.0 360.0 53.1 34.5 19.2 4.6 -4.8 269 134 B L < 0 0 56 -5,-2.1 -120,-0.2 -6,-0.2 -4,-0.1 0.952 360.0 360.0 -70.6 360.0 19.3 2.2 -1.9