==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAY-12 4FEX . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE APHA1-IAB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.J.STOGIOS,E.EVDOKIMOVA,Z.WAWRZAK,G.MINASOV,O.EGOROVA,R.DI . 1283 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59413.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 919 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 214 16.7 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 . 1 0.1 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 . 77 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 179 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 403 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.8 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 5 3 1 3 13 3 2 0 2 5 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 5 6 5 10 11 0 5 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 . 0 10 0 1 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 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 18 A N 0 0 169 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-159.2 -43.0 -44.7 8.2 2 19 A L > + 0 0 16 2,-0.1 3,-1.4 67,-0.0 4,-0.2 0.434 360.0 105.6-135.2 -12.2 -42.2 -48.2 9.5 3 20 A D G >> + 0 0 45 1,-0.3 3,-2.6 2,-0.2 4,-1.2 0.747 66.6 67.7 -65.3 -34.4 -45.3 -49.6 10.9 4 21 A A G 34 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.842 104.2 48.6 -50.0 -36.9 -46.4 -52.1 8.2 5 22 A D G <4 S+ 0 0 39 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.452 113.2 49.6 -82.2 -0.9 -43.3 -54.2 9.2 6 23 A L T X4 S+ 0 0 13 -3,-2.6 3,-1.0 -4,-0.2 -2,-0.2 0.553 71.7 113.8-122.6 -11.2 -44.2 -54.0 12.9 7 24 A Y T 3< S+ 0 0 145 -4,-1.2 3,-0.1 -3,-0.2 22,-0.0 -0.437 86.0 20.1 -59.0 135.3 -47.9 -55.0 13.3 8 25 A G T 3 S+ 0 0 60 1,-0.3 -1,-0.2 -2,-0.1 2,-0.1 -0.065 95.2 110.3 97.7 -34.7 -48.0 -58.2 15.3 9 26 A Y < - 0 0 16 -3,-1.0 -1,-0.3 19,-0.1 2,-0.3 -0.474 57.4-141.8 -74.2 145.0 -44.6 -58.2 16.9 10 27 A R E -A 27 0A 151 17,-4.4 17,-2.3 -2,-0.1 2,-0.3 -0.739 21.5-119.0-102.7 165.6 -44.2 -57.8 20.6 11 28 A W E +A 26 0A 27 252,-0.4 252,-1.0 -2,-0.3 2,-0.3 -0.813 29.2 169.7-119.9 140.5 -41.4 -55.7 22.2 12 29 A A E -AB 25 262A 0 13,-1.4 13,-2.9 -2,-0.3 2,-0.7 -0.980 28.9-131.8-140.3 148.3 -38.5 -56.2 24.6 13 30 A R E -AB 24 261A 123 248,-2.7 248,-1.6 -2,-0.3 11,-0.2 -0.836 26.4-158.6-109.0 98.6 -35.6 -54.0 25.4 14 31 A D E -AB 23 260A 12 9,-1.6 9,-0.7 -2,-0.7 2,-0.4 -0.415 11.9-163.2 -74.3 144.4 -32.3 -55.8 25.3 15 32 A N E + B 0 259A 52 244,-1.8 244,-1.4 -2,-0.1 7,-0.1 -0.870 22.6 158.3-125.2 98.1 -29.1 -54.7 27.0 16 33 A V S S- 0 0 62 -2,-0.4 3,-0.1 242,-0.2 -1,-0.1 0.139 76.2 -87.9-103.5 17.6 -26.1 -56.6 25.5 17 34 A G S S+ 0 0 44 1,-0.2 2,-0.3 239,-0.1 -2,-0.1 0.492 73.1 170.3 88.5 7.8 -23.6 -54.0 26.7 18 35 A Q - 0 0 36 1,-0.1 2,-0.5 3,-0.1 -1,-0.2 -0.327 37.7-118.5 -66.5 116.7 -24.2 -52.1 23.5 19 36 A S S S- 0 0 75 -2,-0.3 2,-1.7 1,-0.2 -1,-0.1 -0.369 76.4 -34.6 -56.3 106.5 -22.6 -48.7 23.5 20 37 A G S S+ 0 0 56 -2,-0.5 -1,-0.2 1,-0.1 21,-0.1 -0.360 104.0 104.7 89.9 -60.0 -25.3 -46.1 23.2 21 38 A A - 0 0 2 -2,-1.7 2,-0.5 23,-0.1 19,-0.2 -0.339 65.3-129.3 -74.0 137.5 -28.0 -47.5 21.0 22 39 A T E - C 0 39A 25 17,-2.4 17,-2.4 -2,-0.1 2,-0.6 -0.706 24.5-154.5 -77.2 127.1 -31.3 -48.8 22.4 23 40 A I E -AC 14 38A 16 -9,-0.7 -9,-1.6 -2,-0.5 2,-0.4 -0.921 8.5-167.8-109.5 119.2 -32.0 -52.3 21.1 24 41 A Y E -AC 13 37A 26 13,-2.6 13,-2.0 -2,-0.6 2,-0.5 -0.827 12.5-145.0 -98.9 139.6 -35.5 -53.6 20.9 25 42 A R E -AC 12 36A 42 -13,-2.9 -13,-1.4 -2,-0.4 2,-0.6 -0.930 12.2-155.1-101.5 126.0 -36.2 -57.3 20.2 26 43 A L E +AC 11 35A 0 9,-3.7 9,-2.6 -2,-0.5 2,-0.2 -0.902 32.6 135.6-105.0 121.2 -39.3 -57.9 18.1 27 44 A Y E +A 10 0A 58 -17,-2.3 -17,-4.4 -2,-0.6 7,-0.0 -0.813 27.7 71.3-146.8-179.2 -40.9 -61.3 18.5 28 45 A G + 0 0 48 1,-0.3 -19,-0.1 -2,-0.2 -17,-0.1 0.009 61.1 126.7 95.1 -28.6 -44.2 -63.1 18.9 29 46 A K > - 0 0 59 -19,-0.1 3,-1.1 4,-0.1 -1,-0.3 -0.485 56.6-135.3 -67.5 120.1 -45.4 -62.7 15.4 30 47 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -21,-0.0 -0.457 87.7 18.5 -75.7 153.2 -46.3 -66.1 13.9 31 48 A N T 3 S+ 0 0 180 1,-0.2 -2,-0.1 -2,-0.1 0, 0.0 0.589 114.0 96.0 62.1 12.1 -45.1 -66.9 10.4 32 49 A A S < S- 0 0 28 -3,-1.1 -1,-0.2 -24,-0.0 -4,-0.1 -0.995 75.3-118.7-136.9 137.4 -42.7 -64.0 10.9 33 50 A P - 0 0 77 0, 0.0 -4,-0.1 0, 0.0 -7,-0.0 -0.372 37.0 -93.5 -77.6 150.9 -39.0 -64.0 12.0 34 51 A E - 0 0 71 -2,-0.1 49,-1.8 49,-0.1 2,-0.3 -0.218 48.7-160.0 -51.5 147.6 -37.6 -62.3 15.2 35 52 A L E -CD 26 82A 1 -9,-2.6 -9,-3.7 47,-0.2 2,-0.4 -0.974 14.1-146.1-135.5 150.2 -36.4 -58.8 14.4 36 53 A F E -CD 25 81A 52 45,-2.2 45,-2.8 -2,-0.3 2,-0.5 -0.964 7.1-166.2-115.2 140.5 -34.1 -56.3 16.0 37 54 A L E -CD 24 80A 4 -13,-2.0 -13,-2.6 -2,-0.4 2,-0.4 -0.983 7.6-162.4-121.6 114.5 -34.5 -52.6 15.8 38 55 A K E -CD 23 79A 31 41,-2.7 41,-2.3 -2,-0.5 2,-0.4 -0.812 7.1-166.1 -93.2 137.3 -31.5 -50.5 16.9 39 56 A H E +CD 22 78A 13 -17,-2.4 -17,-2.4 -2,-0.4 2,-0.4 -0.978 8.7 177.4-130.4 125.6 -32.2 -46.9 17.8 40 57 A G E - D 0 77A 1 37,-2.0 37,-2.2 -2,-0.4 2,-0.3 -0.956 7.1-165.6-122.5 137.6 -29.5 -44.2 18.1 41 58 A K E > - D 0 76A 136 -2,-0.4 3,-1.7 35,-0.2 4,-0.5 -0.836 57.6 -13.4-117.8 164.6 -30.0 -40.5 18.8 42 59 A G T >> S- 0 0 27 33,-1.6 3,-1.0 -2,-0.3 4,-0.6 -0.193 135.8 -4.5 48.9-128.2 -27.6 -37.6 18.5 43 60 A S H >> S+ 0 0 87 1,-0.3 3,-0.8 2,-0.2 4,-0.8 0.809 132.2 63.3 -63.3 -31.5 -24.0 -38.8 18.1 44 61 A V H <> S+ 0 0 27 -3,-1.7 4,-2.3 1,-0.3 3,-0.3 0.799 89.5 68.5 -69.9 -24.9 -25.1 -42.5 18.5 45 62 A A H <> S+ 0 0 0 -3,-1.0 4,-2.7 -4,-0.5 -1,-0.3 0.898 93.8 57.8 -58.0 -38.6 -27.2 -42.2 15.4 46 63 A N H < S+ 0 0 37 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.954 116.9 47.9 -63.4 -51.8 -21.7 -53.8 2.0 58 75 A L H >X S+ 0 0 0 -4,-3.5 3,-2.4 1,-0.2 4,-2.2 0.734 93.2 73.6 -68.5 -25.3 -20.6 -56.9 3.8 59 76 A T T 3< S+ 0 0 66 -4,-1.5 -1,-0.2 1,-0.3 5,-0.1 0.745 81.3 73.0 -71.0 -18.6 -23.6 -59.2 3.2 60 77 A A T <4 S+ 0 0 77 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.615 117.4 18.6 -59.4 -10.5 -22.4 -59.5 -0.4 61 78 A F T <4 S+ 0 0 70 -3,-2.4 -2,-0.2 1,-0.2 -1,-0.1 0.699 123.0 38.2-128.8 -48.5 -19.7 -61.8 1.1 62 79 A M S < S- 0 0 10 -4,-2.2 2,-0.8 52,-0.0 -1,-0.2 -0.534 87.7 -92.4-105.7 170.6 -20.5 -63.1 4.6 63 80 A P + 0 0 41 0, 0.0 134,-1.4 0, 0.0 -4,-0.1 -0.774 59.9 158.6 -86.4 113.4 -23.7 -64.3 6.3 64 81 A L - 0 0 14 -2,-0.8 2,-0.2 132,-0.2 134,-0.1 -0.757 49.1 -84.4-126.7 169.1 -25.3 -61.3 8.0 65 82 A P - 0 0 14 0, 0.0 2,-0.3 0, 0.0 18,-0.1 -0.576 53.8-119.4 -65.0 142.2 -28.7 -60.1 9.3 66 83 A T - 0 0 75 -2,-0.2 16,-1.7 17,-0.1 2,-1.1 -0.679 17.2-118.7 -87.8 140.9 -30.6 -58.6 6.4 67 84 A I E +E 81 0A 15 -2,-0.3 14,-0.2 14,-0.2 3,-0.2 -0.645 32.5 175.1 -75.5 98.9 -31.6 -54.9 6.6 68 85 A K E S- 0 0 65 12,-1.4 2,-0.3 -2,-1.1 -1,-0.2 0.865 70.2 -10.6 -70.6 -30.7 -35.4 -54.9 6.4 69 86 A H E -E 80 0A 12 11,-1.8 11,-3.3 268,-0.2 2,-0.4 -0.927 56.4-169.6-172.4 136.1 -35.5 -51.2 6.9 70 87 A F E -EF 79 336A 0 266,-2.4 266,-2.1 -2,-0.3 2,-0.4 -0.997 4.9-173.2-135.3 138.7 -33.4 -48.1 7.8 71 88 A I E -EF 78 335A 17 7,-2.7 7,-3.1 -2,-0.4 2,-0.4 -0.993 1.0-175.7-131.1 128.0 -34.3 -44.5 8.6 72 89 A R E +EF 77 334A 15 262,-2.8 262,-2.6 -2,-0.4 5,-0.2 -0.984 8.4 167.8-119.6 135.6 -32.0 -41.6 9.2 73 90 A T - 0 0 32 3,-2.0 3,-0.5 -2,-0.4 260,-0.2 -0.800 58.1 -80.5-131.6 173.3 -33.3 -38.1 10.3 74 91 A P S S+ 0 0 88 0, 0.0 257,-0.1 0, 0.0 3,-0.1 0.801 127.0 12.0 -54.3 -27.4 -31.1 -35.2 11.5 75 92 A D S S+ 0 0 87 1,-0.2 -33,-1.6 -30,-0.1 2,-0.4 0.399 120.7 63.8-128.7 -1.3 -30.8 -36.6 15.0 76 93 A D E -D 41 0A 36 -3,-0.5 -3,-2.0 -35,-0.2 2,-0.5 -0.974 48.2-171.9-138.7 128.4 -32.2 -40.2 14.8 77 94 A A E -DE 40 72A 0 -37,-2.2 -37,-2.0 -2,-0.4 2,-0.4 -0.943 8.2-169.0-111.5 133.0 -31.2 -43.4 13.1 78 95 A W E -DE 39 71A 41 -7,-3.1 -7,-2.7 -2,-0.5 2,-0.4 -0.985 2.5-172.2-121.8 134.2 -33.5 -46.5 13.1 79 96 A L E -DE 38 70A 3 -41,-2.3 -41,-2.7 -2,-0.4 2,-0.5 -0.942 3.6-171.8-131.7 112.3 -32.2 -49.9 11.9 80 97 A L E +DE 37 69A 0 -11,-3.3 -11,-1.8 -2,-0.4 -12,-1.4 -0.896 16.7 166.2-105.8 122.9 -34.5 -52.9 11.5 81 98 A T E -DE 36 67A 17 -45,-2.8 -45,-2.2 -2,-0.5 -14,-0.2 -0.869 37.6-105.7-130.0 163.1 -32.9 -56.3 10.8 82 99 A T E -D 35 0A 33 -16,-1.7 2,-0.3 -2,-0.3 -47,-0.2 -0.544 42.9-113.5 -80.9 156.3 -33.8 -59.9 10.7 83 100 A A - 0 0 21 -49,-1.8 -17,-0.1 -2,-0.2 -49,-0.1 -0.649 13.0-128.2 -91.1 149.0 -32.4 -62.0 13.6 84 101 A I - 0 0 33 -2,-0.3 2,-0.1 -19,-0.1 105,-0.1 -0.891 30.9-132.5 -92.7 110.5 -29.9 -64.8 13.3 85 102 A P + 0 0 84 0, 0.0 2,-0.3 0, 0.0 110,-0.1 -0.403 63.5 54.8 -60.0 131.9 -31.4 -67.8 15.1 86 103 A G S S- 0 0 45 -2,-0.1 2,-0.3 104,-0.1 104,-0.2 -0.886 82.4 -64.2 140.4-168.6 -29.1 -69.5 17.5 87 104 A K E -K 189 0B 90 102,-2.4 102,-3.1 -2,-0.3 2,-0.0 -0.770 50.3 -98.1-115.5 161.2 -26.8 -69.0 20.5 88 105 A T E > -K 188 0B 13 -2,-0.3 4,-2.3 100,-0.2 100,-0.2 -0.372 33.3-113.6 -73.6 159.4 -23.7 -66.9 20.8 89 106 A A H > S+ 0 0 0 98,-1.8 4,-2.2 95,-0.6 96,-0.2 0.886 119.8 55.9 -56.2 -38.2 -20.3 -68.6 20.6 90 107 A F H > S+ 0 0 21 94,-2.1 4,-2.6 97,-0.2 -1,-0.2 0.937 106.9 47.0 -61.9 -49.0 -19.9 -67.7 24.2 91 108 A Q H > S+ 0 0 62 93,-0.3 4,-3.2 1,-0.2 5,-0.3 0.937 111.6 50.4 -57.7 -46.9 -23.1 -69.4 25.3 92 109 A V H X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.859 110.0 51.6 -65.1 -33.8 -22.3 -72.6 23.3 93 110 A L H < S+ 0 0 4 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.974 113.6 44.0 -60.1 -55.5 -18.9 -72.7 24.9 94 111 A E H < S+ 0 0 123 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.7 45.2 -54.6 -48.2 -20.4 -72.4 28.4 95 112 A E H < S+ 0 0 96 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 127.6 24.1 -71.1 -34.1 -23.2 -74.9 27.8 96 113 A Y >< + 0 0 121 -4,-1.9 3,-1.4 -5,-0.3 -1,-0.3 -0.703 61.4 170.8-134.3 82.6 -21.0 -77.6 26.1 97 114 A P G > S+ 0 0 103 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.699 76.4 68.8 -73.6 -12.5 -17.4 -77.3 27.1 98 115 A D G 3 S+ 0 0 149 1,-0.2 -5,-0.1 2,-0.1 4,-0.1 0.149 96.4 57.6 -84.2 21.6 -16.5 -80.5 25.4 99 116 A S G X> S+ 0 0 48 -3,-1.4 4,-2.1 -6,-0.2 3,-1.1 0.401 70.1 103.2-124.9 -6.8 -17.2 -78.7 22.1 100 117 A G H <> S+ 0 0 3 -3,-0.8 4,-2.8 1,-0.2 5,-0.3 0.817 75.4 60.8 -46.2 -38.8 -14.7 -75.9 22.4 101 118 A E H 3> S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.894 110.5 39.5 -62.8 -37.5 -12.3 -77.6 20.0 102 119 A N H <> S+ 0 0 105 -3,-1.1 4,-2.7 2,-0.2 -1,-0.2 0.805 114.5 54.0 -80.5 -29.6 -14.8 -77.5 17.1 103 120 A I H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 112.0 43.0 -69.6 -43.4 -16.1 -74.1 18.1 104 121 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.865 113.7 52.9 -70.2 -34.8 -12.6 -72.6 17.9 105 122 A D H X S+ 0 0 20 -4,-1.5 4,-2.4 -5,-0.3 -2,-0.2 0.977 112.2 45.4 -59.4 -53.0 -11.9 -74.5 14.7 106 123 A A H X S+ 0 0 29 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.847 110.5 53.8 -56.1 -40.0 -15.1 -73.0 13.3 107 124 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.918 110.1 47.2 -65.3 -40.0 -14.2 -69.5 14.5 108 125 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.947 111.3 48.9 -67.9 -50.8 -10.8 -69.6 12.8 109 126 A V H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.944 114.4 47.4 -51.8 -49.2 -12.0 -70.9 9.5 110 127 A F H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.902 111.3 49.5 -60.1 -45.1 -14.7 -68.2 9.5 111 128 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.874 109.4 52.9 -65.4 -34.1 -12.3 -65.5 10.4 112 129 A R H X S+ 0 0 44 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.916 107.4 52.8 -63.3 -43.0 -10.0 -66.7 7.6 113 130 A R H >X S+ 0 0 114 -4,-2.3 3,-1.0 2,-0.2 4,-0.6 0.952 109.9 46.3 -56.2 -54.4 -13.0 -66.4 5.3 114 131 A L H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 63,-0.2 0.925 113.9 49.3 -52.8 -46.8 -13.7 -62.8 6.3 115 132 A H H 3< S+ 0 0 1 -4,-2.2 62,-0.3 1,-0.3 -1,-0.2 0.618 100.2 64.7 -73.7 -12.8 -10.0 -61.9 6.0 116 133 A S H << S+ 0 0 38 -3,-1.0 -1,-0.3 -4,-0.9 558,-0.2 0.647 73.0 110.4 -86.7 -12.7 -9.7 -63.5 2.6 117 134 A I S << S- 0 0 9 -3,-1.3 60,-0.4 -4,-0.6 5,-0.1 -0.499 83.4-113.2 -60.9 115.3 -12.1 -60.9 1.2 118 135 A P > - 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0 0 20 -49,-1.7 -49,-0.2 -2,-0.1 -1,-0.0 -0.855 14.1-131.9-105.4 134.5 -30.2 -27.3 -1.7 348 101 B I - 0 0 34 -2,-0.4 105,-0.1 -51,-0.1 112,-0.1 -0.761 27.7-136.7 -85.9 112.6 -27.1 -25.1 -1.8 349 102 B P + 0 0 87 0, 0.0 2,-0.3 0, 0.0 103,-0.0 -0.340 59.8 52.6 -71.6 151.7 -28.2 -21.8 -3.3 350 103 B G S S- 0 0 43 104,-0.1 2,-0.3 102,-0.0 104,-0.2 -0.837 82.3 -63.1 125.4-164.7 -26.0 -20.2 -5.9 351 104 B K E -P 453 0E 99 102,-1.9 102,-3.6 -2,-0.3 2,-0.1 -0.837 47.7-100.8-126.4 157.8 -24.3 -21.1 -9.2 352 105 B T E > -P 452 0E 22 -2,-0.3 4,-3.1 100,-0.2 5,-0.2 -0.343 31.2-109.0 -80.2 163.5 -21.5 -23.6 -10.1 353 106 B A H > S+ 0 0 0 98,-1.9 4,-2.8 95,-0.9 5,-0.2 0.891 121.7 52.2 -52.6 -45.2 -17.8 -22.9 -10.7 354 107 B F H > S+ 0 0 11 94,-1.2 4,-2.2 97,-0.2 -1,-0.2 0.935 111.5 45.0 -56.8 -51.2 -18.4 -23.5 -14.4 355 108 B Q H > S+ 0 0 56 93,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.893 114.6 48.4 -62.1 -41.8 -21.3 -21.0 -14.5 356 109 B V H X S+ 0 0 18 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.881 110.6 51.0 -69.8 -37.6 -19.4 -18.4 -12.5 357 110 B L H < S+ 0 0 5 -4,-2.8 3,-0.5 -5,-0.2 6,-0.2 0.943 110.1 51.4 -56.5 -45.2 -16.3 -18.8 -14.6 358 111 B E H < S+ 0 0 36 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.0 43.7 -68.7 -30.9 -18.5 -18.3 -17.7 359 112 B E H < S+ 0 0 94 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.648 123.7 35.1 -86.2 -19.4 -20.0 -15.1 -16.3 360 113 B Y >< + 0 0 118 -4,-1.4 3,-2.7 -3,-0.5 -1,-0.2 -0.402 63.6 155.7-133.5 61.1 -16.7 -13.6 -15.1 361 114 B P G > S+ 0 0 90 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.858 76.2 60.1 -59.4 -35.4 -14.1 -14.7 -17.6 362 115 B D G 3 S+ 0 0 171 1,-0.3 4,-0.1 2,-0.1 3,-0.1 0.441 102.6 54.9 -70.1 0.3 -11.9 -11.7 -16.5 363 116 B S G <> S+ 0 0 44 -3,-2.7 4,-2.6 -6,-0.2 -1,-0.3 0.149 71.9 117.2-117.2 14.9 -11.9 -13.2 -13.0 364 117 B G H <> S+ 0 0 6 -3,-1.8 4,-2.9 1,-0.2 5,-0.3 0.886 73.8 48.9 -50.4 -51.0 -10.6 -16.5 -14.1 365 118 B E H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 113.3 47.7 -61.9 -44.1 -7.3 -16.4 -12.1 366 119 B N H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.890 111.8 50.4 -59.9 -42.7 -9.2 -15.3 -8.9 367 120 B I H X S+ 0 0 12 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.967 109.4 48.8 -64.8 -50.0 -11.8 -18.1 -9.4 368 121 B V H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.875 108.7 57.7 -56.0 -33.1 -9.2 -20.8 -9.8 369 122 B D H X S+ 0 0 35 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.944 105.5 47.6 -61.5 -47.8 -7.6 -19.2 -6.7 370 123 B A H X S+ 0 0 36 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.911 111.2 52.9 -59.2 -42.3 -10.8 -19.8 -4.7 371 124 B L H X S+ 0 0 0 -4,-2.6 4,-3.3 2,-0.2 -2,-0.2 0.971 108.6 48.8 -54.6 -57.7 -10.9 -23.4 -6.1 372 125 B A H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 -2,-0.2 0.918 112.8 47.0 -48.7 -53.9 -7.3 -24.1 -4.9 373 126 B V H X S+ 0 0 99 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.954 112.7 49.2 -56.7 -50.0 -7.9 -22.8 -1.4 374 127 B F H X S+ 0 0 13 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.941 112.2 49.1 -54.5 -48.4 -11.1 -24.7 -1.1 375 128 B L H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.934 108.5 53.1 -53.6 -51.0 -9.3 -27.8 -2.3 376 129 B R H X S+ 0 0 101 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.904 107.0 53.4 -49.5 -46.3 -6.5 -27.1 0.3 377 130 B R H X S+ 0 0 122 -4,-2.8 4,-0.8 1,-0.2 3,-0.4 0.934 109.6 47.4 -56.3 -49.3 -9.2 -26.9 2.9 378 131 B L H >< S+ 0 0 1 -4,-2.2 3,-1.0 1,-0.2 63,-0.2 0.931 113.2 47.4 -58.0 -46.7 -10.6 -30.4 1.9 379 132 B H H 3< S+ 0 0 9 -4,-2.6 62,-0.4 1,-0.3 -1,-0.2 0.703 100.0 67.2 -74.5 -17.8 -7.1 -32.0 1.8 380 133 B S H 3< S+ 0 0 78 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.744 70.0 109.7 -71.9 -26.1 -6.2 -30.6 5.2 381 134 B I S << S- 0 0 9 -3,-1.0 60,-0.7 -4,-0.8 2,-0.2 -0.379 83.9-116.5 -52.7 116.7 -8.8 -32.8 6.8 382 135 B P > - 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0 0 17 -49,-2.3 -17,-0.1 -2,-0.4 -1,-0.1 -0.331 18.8-126.8 -63.2 152.4 -46.4 -31.9 -31.8 1120 101 E I - 0 0 31 -19,-0.1 2,-0.2 2,-0.1 105,-0.1 -0.942 29.8-122.9 -98.8 117.8 -44.1 -31.4 -28.9 1121 102 E P S S+ 0 0 93 0, 0.0 2,-0.3 0, 0.0 110,-0.1 -0.483 72.3 62.3 -64.6 130.1 -45.6 -28.6 -26.8 1122 103 E G S S- 0 0 39 -2,-0.2 2,-0.3 104,-0.1 104,-0.2 -0.928 82.1 -76.9 150.5-170.5 -43.1 -25.7 -26.5 1123 104 E K E -R 1225 0O 73 102,-3.2 102,-3.4 -2,-0.3 2,-0.1 -0.786 50.6 -95.1-116.7 166.4 -41.1 -23.2 -28.5 1124 105 E T E > -R 1224 0O 18 -2,-0.3 4,-2.6 100,-0.2 5,-0.3 -0.507 30.9-113.9 -79.3 156.6 -38.0 -23.9 -30.6 1125 106 E A H > S+ 0 0 0 98,-2.7 4,-1.2 95,-0.4 96,-0.2 0.845 122.4 53.4 -51.1 -34.8 -34.5 -23.3 -29.2 1126 107 E F H > S+ 0 0 43 94,-2.1 4,-0.6 97,-0.2 -1,-0.2 0.939 108.3 47.4 -69.5 -46.7 -34.4 -20.6 -31.8 1127 108 E Q H >> S+ 0 0 98 93,-0.3 3,-2.0 1,-0.2 4,-2.0 0.958 111.6 47.8 -59.1 -52.7 -37.6 -18.9 -30.7 1128 109 E V H 3X S+ 0 0 18 -4,-2.6 4,-2.1 1,-0.3 -1,-0.2 0.791 106.7 60.0 -62.6 -24.6 -36.8 -18.9 -26.9 1129 110 E L H 3< S+ 0 0 4 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.666 110.7 40.6 -76.9 -16.0 -33.4 -17.5 -27.8 1130 111 E E H << S+ 0 0 123 -3,-2.0 -2,-0.2 -4,-0.6 -1,-0.2 0.691 118.6 44.8 -99.7 -24.5 -35.2 -14.5 -29.4 1131 112 E E H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.801 126.6 27.5 -87.8 -30.8 -37.9 -14.0 -26.8 1132 113 E Y >< + 0 0 118 -4,-2.1 3,-2.4 -5,-0.3 -1,-0.2 -0.538 68.5 167.7-129.6 68.3 -35.7 -14.4 -23.7 1133 114 E P G > S+ 0 0 97 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.695 74.1 63.3 -62.4 -20.3 -32.2 -13.2 -24.9 1134 115 E D G 3 S+ 0 0 146 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.369 96.5 61.3 -84.5 7.2 -30.9 -13.1 -21.3 1135 116 E S G <> + 0 0 33 -3,-2.4 4,-1.7 -7,-0.2 3,-0.3 0.176 67.3 110.9-115.2 15.5 -31.4 -16.8 -21.1 1136 117 E G H <> S+ 0 0 2 -3,-1.0 4,-2.2 1,-0.2 5,-0.2 0.828 73.2 56.7 -56.3 -36.6 -29.0 -17.7 -23.9 1137 118 E E H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.887 106.4 48.1 -67.1 -39.7 -26.5 -19.3 -21.6 1138 119 E N H > S+ 0 0 95 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.897 110.4 52.4 -69.4 -38.2 -29.0 -21.8 -20.1 1139 120 E I H X S+ 0 0 8 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.949 110.0 47.6 -62.2 -47.5 -30.2 -22.8 -23.5 1140 121 E V H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.898 110.6 51.5 -62.3 -40.6 -26.7 -23.5 -24.7 1141 122 E D H X S+ 0 0 15 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.888 111.3 48.4 -64.3 -38.9 -25.8 -25.6 -21.6 1142 123 E A H X S+ 0 0 29 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.901 111.3 49.2 -65.4 -44.7 -28.9 -27.6 -22.1 1143 124 E L H X S+ 0 0 0 -4,-2.5 4,-3.4 2,-0.2 -2,-0.2 0.947 111.9 48.9 -58.5 -51.0 -28.2 -28.2 -25.8 1144 125 E A H X S+ 0 0 1 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.912 112.6 47.8 -54.3 -46.5 -24.6 -29.3 -25.0 1145 126 E V H X S+ 0 0 83 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.895 113.8 46.9 -67.1 -43.1 -25.8 -31.7 -22.3 1146 127 E F H X S+ 0 0 11 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.928 112.4 50.1 -57.4 -49.2 -28.5 -33.2 -24.5 1147 128 E L H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.930 109.8 50.3 -58.8 -44.8 -25.9 -33.5 -27.3 1148 129 E R H < S+ 0 0 46 -4,-2.8 4,-0.5 1,-0.2 -1,-0.2 0.921 110.9 50.8 -58.4 -44.9 -23.5 -35.2 -25.0 1149 130 E R H >X S+ 0 0 84 -4,-2.3 3,-1.1 1,-0.2 4,-0.7 0.930 111.4 47.3 -57.4 -47.2 -26.3 -37.5 -24.0 1150 131 E L H >< S+ 0 0 2 -4,-2.8 3,-1.2 1,-0.2 63,-0.3 0.937 107.9 54.3 -63.8 -47.3 -27.1 -38.3 -27.6 1151 132 E H T 3< S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 62,-0.2 0.530 99.0 66.3 -64.9 -4.8 -23.5 -39.0 -28.6 1152 133 E S T <4 + 0 0 37 -3,-1.1 -1,-0.2 -4,-0.5 -741,-0.2 0.747 68.8 106.9 -93.1 -25.5 -23.2 -41.6 -25.8 1153 134 E I S << S- 0 0 16 -3,-1.2 60,-0.7 -4,-0.7 2,-0.2 -0.335 86.6-108.2 -47.7 125.5 -25.7 -44.0 -27.3 1154 135 E P > - 0 0 69 0, 0.0 3,-2.9 0, 0.0 4,-0.1 -0.462 15.8-131.4 -72.7 135.2 -23.4 -46.7 -28.5 1155 136 E V G > S+ 0 0 54 1,-0.3 3,-1.7 -2,-0.2 86,-0.1 0.743 102.8 69.8 -60.2 -22.1 -22.9 -46.9 -32.2 1156 137 E C G 3 S+ 0 0 116 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.617 92.3 60.6 -71.7 -11.3 -23.5 -50.7 -32.2 1157 138 E N G < S+ 0 0 78 -3,-2.9 -1,-0.3 1,-0.1 -2,-0.2 0.401 91.5 89.2 -87.9 1.8 -27.2 -49.9 -31.3 1158 139 E C < - 0 0 15 -3,-1.7 83,-0.1 -4,-0.1 -1,-0.1 -0.891 49.2-173.8-122.4 111.7 -27.7 -48.0 -34.5 1159 140 E P + 0 0 92 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.668 65.0 93.4 -65.2 -20.1 -28.8 -49.3 -37.9 1160 141 E F - 0 0 26 -70,-0.0 81,-3.0 2,-0.0 2,-0.5 -0.683 58.8-157.6 -95.7 125.7 -28.3 -46.0 -39.6 1161 142 E N B +t 1241 0P 74 -2,-0.5 81,-0.1 79,-0.3 -1,-0.0 -0.843 24.5 157.8 -96.5 126.0 -25.1 -44.9 -41.4 1162 143 E S + 0 0 7 79,-2.1 81,-0.2 -2,-0.5 -1,-0.1 0.080 26.6 148.9-127.8 21.3 -24.4 -41.2 -41.8 1163 144 E D >> - 0 0 55 79,-0.1 4,-2.8 1,-0.1 3,-1.2 -0.177 59.9-108.4 -70.2 154.9 -20.7 -41.4 -42.3 1164 145 E R H 3> S+ 0 0 52 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.673 115.6 59.9 -57.8 -21.9 -18.8 -38.9 -44.5 1165 146 E V H 3> S+ 0 0 103 2,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.920 114.7 36.9 -72.2 -37.3 -18.1 -41.4 -47.3 1166 147 E F H <> S+ 0 0 79 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.916 118.1 49.6 -75.2 -47.3 -21.8 -41.9 -47.7 1167 148 E R H X S+ 0 0 22 -4,-2.8 4,-2.3 1,-0.2 -3,-0.2 0.877 109.9 51.2 -63.7 -36.6 -22.7 -38.3 -47.0 1168 149 E L H X S+ 0 0 16 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.889 106.4 55.1 -65.0 -37.0 -20.1 -37.0 -49.5 1169 150 E A H X S+ 0 0 50 -4,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.886 110.0 46.7 -64.3 -36.9 -21.5 -39.3 -52.2 1170 151 E Q H X S+ 0 0 74 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.907 108.8 53.7 -71.7 -43.6 -24.9 -37.8 -51.7 1171 152 E A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.938 108.0 51.8 -51.0 -49.5 -23.6 -34.2 -51.7 1172 153 E Q H X S+ 0 0 85 -4,-2.5 4,-3.2 1,-0.2 -1,-0.2 0.893 110.5 48.1 -57.8 -43.8 -22.0 -35.0 -55.0 1173 154 E S H X S+ 0 0 61 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.850 110.1 50.4 -66.5 -38.5 -25.2 -36.3 -56.5 1174 155 E R H <>S+ 0 0 70 -4,-2.5 5,-2.8 2,-0.2 6,-0.7 0.886 112.8 48.8 -70.2 -33.5 -27.2 -33.4 -55.3 1175 156 E M H ><5S+ 0 0 26 -4,-2.5 3,-2.2 -5,-0.2 -2,-0.2 0.985 112.6 46.6 -63.3 -56.3 -24.6 -31.2 -56.9 1176 157 E N H 3<5S+ 0 0 111 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.717 111.7 51.7 -60.3 -25.6 -24.7 -33.2 -60.2 1177 158 E N T 3<5S- 0 0 117 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.397 113.9-115.2 -93.0 2.1 -28.5 -33.1 -60.2 1178 159 E G T < 5S+ 0 0 66 -3,-2.2 -3,-0.2 -4,-0.2 -2,-0.1 0.757 78.1 125.9 71.3 27.7 -28.6 -29.4 -59.7 1179 160 E L < + 0 0 94 -5,-2.8 2,-0.3 -6,-0.2 -4,-0.2 0.621 32.4 113.9 -94.1 -10.8 -30.3 -29.6 -56.3 1180 161 E V - 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