==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-APR-13 4KGK . COMPND 2 MOLECULE: THG1-LIKE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THURINGIENSIS; . AUTHOR S.J.HYDE,B.S.RAO,B.E.ECKENROTH,J.E.JACKMAN,S.DOUBLIE . 846 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37350.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 594 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 67 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 34.9 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 6 2 0 4 0 1 1 2 0 0 0 2 0 2 0 0 1 1 1 2 2 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 3 1 1 10 4 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 . 0 0 0 0 4 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 3 A S > 0 0 108 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-177.8 55.6 79.5 -2.2 2 4 A I H > + 0 0 90 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.692 360.0 59.9 -81.5 -20.0 54.5 82.9 -0.9 3 5 A G H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 104.1 49.1 -74.6 -35.3 55.8 84.5 -4.1 4 6 A D H > S+ 0 0 93 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.901 112.5 47.6 -68.9 -42.5 53.5 82.5 -6.3 5 7 A R H X S+ 0 0 48 -4,-1.1 4,-1.1 1,-0.2 -2,-0.2 0.826 111.6 51.2 -69.0 -32.4 50.5 83.3 -4.1 6 8 A M H X S+ 0 0 1 -4,-1.4 4,-1.4 1,-0.2 -1,-0.2 0.876 107.4 50.5 -74.9 -39.4 51.3 87.0 -4.0 7 9 A K H X S+ 0 0 33 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.765 103.4 63.8 -67.9 -24.8 51.7 87.4 -7.8 8 10 A R H X S+ 0 0 110 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.900 101.5 47.7 -66.7 -43.3 48.3 85.7 -8.0 9 11 A Y H >< S+ 0 0 3 -4,-1.1 3,-0.6 1,-0.2 333,-0.3 0.897 113.4 49.9 -61.0 -41.9 46.6 88.5 -6.2 10 12 A E H >< S+ 0 0 23 -4,-1.4 3,-1.9 1,-0.2 -2,-0.2 0.914 104.0 57.3 -63.9 -44.8 48.4 90.9 -8.5 11 13 A N H >< S+ 0 0 87 -4,-2.7 3,-1.7 1,-0.3 -1,-0.2 0.689 87.1 79.8 -61.3 -18.9 47.4 89.1 -11.7 12 14 A A T << S+ 0 0 7 -4,-0.7 -1,-0.3 -3,-0.6 440,-0.3 0.696 106.0 30.4 -64.3 -18.9 43.7 89.5 -10.7 13 15 A Y T < S+ 0 0 4 -3,-1.9 2,-1.0 -4,-0.2 -1,-0.3 -0.082 84.1 116.0-131.1 33.0 44.0 93.1 -12.1 14 16 A R < - 0 0 93 -3,-1.7 2,-0.2 81,-0.1 -3,-0.1 -0.660 50.3-177.3 -95.4 72.8 46.6 92.5 -14.8 15 17 A I - 0 0 23 -2,-1.0 80,-2.6 212,-0.1 81,-0.4 -0.530 10.7-159.1 -79.0 136.7 44.1 93.4 -17.5 16 18 A K B -A 94 0A 60 432,-0.3 78,-0.2 -2,-0.2 77,-0.1 -0.949 14.8-128.8-116.8 137.3 45.2 93.1 -21.2 17 19 A L - 0 0 3 76,-3.0 432,-0.1 -2,-0.4 4,-0.0 -0.566 38.7-100.3 -74.9 143.4 43.7 94.9 -24.2 18 20 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.369 45.2-117.7 -62.8 147.5 42.8 92.6 -27.1 19 21 A E S S+ 0 0 35 1,-0.2 63,-0.1 -3,-0.1 69,-0.0 -0.226 84.6 41.2 -88.4 176.0 45.4 92.7 -29.9 20 22 A R S S+ 0 0 45 61,-0.5 -1,-0.2 1,-0.2 764,-0.1 0.964 93.9 108.1 49.6 62.0 45.3 93.8 -33.5 21 23 A M S S- 0 0 6 -3,-0.1 -1,-0.2 58,-0.1 -4,-0.0 -0.936 79.0 -93.4-167.4 134.7 43.1 96.7 -32.7 22 24 A P - 0 0 4 0, 0.0 111,-2.4 0, 0.0 2,-0.5 -0.304 38.8-156.3 -53.6 129.1 43.5 100.5 -32.5 23 25 A V E -BC 79 132B 1 56,-3.1 56,-1.7 109,-0.2 2,-0.5 -0.961 4.3-162.3-114.9 119.1 44.4 101.7 -29.0 24 26 A I E -BC 78 131B 4 107,-0.8 107,-1.4 -2,-0.5 2,-0.5 -0.880 4.2-168.1-100.3 127.7 43.5 105.2 -27.9 25 27 A V E -BC 77 130B 0 52,-2.0 52,-1.3 -2,-0.5 2,-0.5 -0.966 2.5-163.3-115.7 121.6 45.3 106.6 -24.8 26 28 A R E -BC 76 129B 18 103,-1.6 103,-2.2 -2,-0.5 2,-0.5 -0.897 2.6-168.1-105.7 131.5 44.0 109.8 -23.3 27 29 A I E -BC 75 128B 1 48,-2.9 48,-1.7 -2,-0.5 2,-0.4 -0.953 10.0-175.6-118.8 112.3 46.2 111.8 -20.9 28 30 A D E -BC 74 127B 48 99,-2.2 99,-3.0 -2,-0.5 46,-0.2 -0.873 28.8-111.3-112.3 141.4 44.5 114.6 -18.9 29 31 A G E > - C 0 126B 3 44,-0.7 3,-0.7 -2,-0.4 2,-0.5 -0.474 33.5-120.7 -68.6 131.9 46.0 117.1 -16.6 30 32 A A T 3 S- 0 0 15 95,-3.7 95,-0.5 1,-0.3 5,-0.1 -0.648 82.7 -23.3 -79.9 122.7 45.0 116.6 -12.9 31 33 A H T >> S+ 0 0 127 -2,-0.5 3,-1.3 1,-0.1 4,-1.2 0.866 76.9 162.5 41.1 53.3 43.3 119.7 -11.5 32 34 A F H <> + 0 0 11 -3,-0.7 4,-3.2 1,-0.3 -1,-0.1 0.613 61.2 81.0 -73.6 -11.8 44.8 122.1 -14.0 33 35 A H H 34 S+ 0 0 171 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.808 103.6 35.0 -60.0 -29.8 42.1 124.6 -13.1 34 36 A T H X4 S+ 0 0 100 -3,-1.3 3,-1.2 2,-0.1 4,-0.2 0.822 116.7 53.6 -89.4 -39.8 44.4 125.3 -10.1 35 37 A Y H >< S+ 0 0 28 -4,-1.2 3,-0.6 1,-0.3 -2,-0.2 0.866 106.4 52.4 -64.1 -38.5 47.7 124.8 -12.0 36 38 A T T 3< S+ 0 0 43 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.1 0.018 76.1 108.6 -90.3 28.6 46.8 127.2 -14.7 37 39 A K T < S+ 0 0 80 -3,-1.2 -1,-0.2 1,-0.2 -2,-0.1 0.907 83.5 41.8 -69.4 -42.8 45.9 130.0 -12.2 38 40 A G S < S+ 0 0 79 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.1 0.657 100.3 99.3 -76.9 -16.2 49.0 132.0 -13.2 39 41 A C S S- 0 0 27 -4,-0.2 -3,-0.0 1,-0.1 5,-0.0 -0.248 78.9-104.1 -71.2 159.8 48.4 131.2 -16.8 40 42 A A - 0 0 63 1,-0.0 4,-0.3 3,-0.0 -1,-0.1 -0.133 43.8 -83.5 -78.1 176.0 46.8 133.7 -19.2 41 43 A K S S- 0 0 93 2,-0.2 2,-0.1 1,-0.0 116,-0.0 -0.994 86.1 -9.2-143.4 146.4 43.2 133.7 -20.6 42 44 A P S S+ 0 0 61 0, 0.0 2,-0.6 0, 0.0 115,-0.1 -0.936 134.7 12.8 -84.2 -25.4 41.6 132.5 -22.7 43 45 A F - 0 0 46 -2,-0.1 2,-0.6 113,-0.0 -2,-0.2 -0.910 65.3-160.6-118.9 108.8 44.4 131.0 -24.6 44 46 A D > - 0 0 18 -2,-0.6 4,-2.0 -4,-0.3 5,-0.2 -0.766 2.5-162.5 -90.5 117.4 47.9 130.7 -23.0 45 47 A Q H > S+ 0 0 96 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.936 89.0 49.8 -62.1 -51.7 50.7 130.3 -25.6 46 48 A D H > S+ 0 0 83 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.815 111.1 51.2 -61.0 -33.2 53.4 129.1 -23.2 47 49 A L H > S+ 0 0 25 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.932 114.4 41.9 -68.2 -47.4 50.9 126.5 -21.7 48 50 A A H X S+ 0 0 5 -4,-2.0 4,-2.0 1,-0.2 3,-0.4 0.869 109.9 57.6 -68.8 -38.3 50.0 125.1 -25.1 49 51 A E H X S+ 0 0 34 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.829 103.2 55.4 -61.6 -32.2 53.6 125.2 -26.4 50 52 A A H X S+ 0 0 2 -4,-1.1 4,-1.5 -5,-0.2 -1,-0.2 0.817 106.5 50.2 -70.1 -32.3 54.5 122.9 -23.5 51 53 A F H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.4 -2,-0.2 0.885 104.3 58.0 -71.9 -39.5 51.9 120.4 -24.5 52 54 A W H X S+ 0 0 24 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.896 109.8 43.9 -58.0 -43.0 53.2 120.4 -28.1 53 55 A E H X S+ 0 0 73 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.867 112.1 53.4 -68.8 -37.6 56.7 119.3 -26.9 54 56 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.883 106.0 53.6 -63.8 -38.7 55.1 116.8 -24.5 55 57 A C H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.838 107.8 51.2 -65.4 -34.4 53.2 115.3 -27.4 56 58 A K H X S+ 0 0 51 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.965 109.6 48.5 -63.8 -53.2 56.5 114.9 -29.3 57 59 A Y H < S+ 0 0 43 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.839 112.0 50.9 -57.4 -36.6 58.2 113.1 -26.4 58 60 A L H >X S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-1.0 0.957 112.4 43.7 -65.5 -52.5 55.2 110.8 -26.1 59 61 A A H 3< S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.3 6,-0.2 0.768 108.1 61.0 -65.8 -26.6 55.1 109.9 -29.8 60 62 A Q T 3< S+ 0 0 109 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.614 115.7 31.8 -74.5 -13.1 58.9 109.4 -29.8 61 63 A N T <4 S+ 0 0 80 -3,-1.4 2,-0.7 -4,-0.4 -2,-0.2 0.425 94.0 95.3-127.4 -2.1 58.6 106.7 -27.2 62 64 A I >< - 0 0 8 -4,-1.0 3,-1.8 -3,-0.1 2,-0.6 -0.847 69.7-134.4 -98.2 115.1 55.3 104.9 -27.7 63 65 A M T 3 S+ 0 0 108 -2,-0.7 27,-0.4 1,-0.3 -3,-0.1 -0.537 93.3 16.5 -67.0 112.6 55.6 101.8 -29.9 64 66 A G T 3 S+ 0 0 21 -2,-0.6 16,-2.2 1,-0.3 -1,-0.3 0.394 85.0 151.0 105.8 -0.5 52.8 101.9 -32.4 65 67 A A E < +D 79 0B 6 -3,-1.8 -1,-0.3 14,-0.2 14,-0.2 -0.455 7.8 159.8 -67.3 130.9 52.0 105.6 -32.0 66 68 A K E + 0 0 60 12,-2.5 115,-0.6 1,-0.3 2,-0.4 0.723 60.2 17.4-116.1 -49.4 50.6 107.1 -35.2 67 69 A L E -DE 78 180B 0 11,-0.7 11,-3.2 113,-0.1 2,-0.4 -0.993 55.1-165.4-138.3 135.1 48.7 110.3 -34.4 68 70 A V E -DE 77 179B 0 111,-1.9 111,-2.9 -2,-0.4 2,-0.5 -0.980 7.2-166.6-123.4 128.2 48.7 112.6 -31.4 69 71 A Y E -DE 76 178B 5 7,-1.8 7,-2.5 -2,-0.4 2,-0.4 -0.953 5.2-155.9-119.5 128.1 46.0 115.3 -30.8 70 72 A H E +DE 75 177B 10 107,-2.9 107,-1.7 -2,-0.5 2,-0.3 -0.849 20.0 158.5-106.8 136.7 46.2 118.1 -28.2 71 73 A Q E > -D 74 0B 15 3,-1.9 3,-2.2 -2,-0.4 2,-0.5 -0.976 60.9 -41.3-151.8 138.2 43.3 120.0 -26.6 72 74 A S T 3 S- 0 0 73 -2,-0.3 -2,-0.0 1,-0.3 -44,-0.0 -0.179 122.4 -31.4 53.4 -97.8 42.9 122.0 -23.4 73 75 A D T 3 S+ 0 0 27 -2,-0.5 -44,-0.7 -44,-0.1 -1,-0.3 0.307 119.8 97.3-129.3 -2.3 44.9 120.0 -20.9 74 76 A E E < -BD 28 71B 9 -3,-2.2 -3,-1.9 -46,-0.2 2,-0.4 -0.536 52.1-162.2 -89.9 155.5 44.2 116.6 -22.5 75 77 A I E -BD 27 70B 0 -48,-1.7 -48,-2.9 -5,-0.2 2,-0.3 -0.948 6.4-165.7-137.5 117.2 46.4 114.6 -24.9 76 78 A S E -BD 26 69B 0 -7,-2.5 -7,-1.8 -2,-0.4 2,-0.4 -0.745 3.5-165.3-100.4 151.4 45.1 111.8 -27.0 77 79 A I E -BD 25 68B 0 -52,-1.3 -52,-2.0 -2,-0.3 2,-0.4 -0.962 13.0-144.3-142.6 121.3 47.2 109.2 -28.8 78 80 A L E -BD 24 67B 2 -11,-3.2 -12,-2.5 -2,-0.4 -11,-0.7 -0.700 21.1-173.4 -82.1 130.6 46.3 106.8 -31.6 79 81 A I E -BD 23 65B 6 -56,-1.7 -56,-3.1 -2,-0.4 2,-0.3 -0.941 5.1-174.3-132.1 111.9 48.2 103.4 -31.3 80 82 A T + 0 0 4 -16,-2.2 3,-0.1 -2,-0.4 130,-0.0 -0.780 10.5 178.8-101.2 149.4 48.1 100.7 -33.9 81 83 A N + 0 0 7 -2,-0.3 -61,-0.5 6,-0.1 8,-0.1 -0.186 67.8 71.5-141.3 42.7 49.7 97.3 -33.5 82 84 A Y + 0 0 24 -62,-0.1 130,-0.1 -18,-0.1 -1,-0.1 0.095 50.4 119.0-144.5 21.2 48.8 95.4 -36.7 83 85 A D S S+ 0 0 53 -3,-0.1 2,-0.3 129,-0.0 -2,-0.0 0.864 89.5 14.5 -58.8 -37.9 50.9 97.2 -39.3 84 86 A K S > S- 0 0 141 4,-0.0 3,-1.0 1,-0.0 -3,-0.0 -0.796 86.0-106.8-128.4 173.1 52.6 93.9 -40.0 85 87 A L T 3 S+ 0 0 150 -2,-0.3 -2,-0.0 1,-0.2 -1,-0.0 0.706 121.5 44.5 -73.2 -19.3 51.8 90.2 -39.1 86 88 A T T 3 S+ 0 0 102 2,-0.1 -1,-0.2 -4,-0.0 2,-0.2 0.117 80.5 140.6-111.6 18.7 54.6 90.3 -36.5 87 89 A T < - 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0 0 0 -107,-2.4 2,-0.1 -2,-0.3 5,-0.1 -0.981 26.2-111.8-134.3 146.9 44.5 92.2 -0.7 344 136 B P >> - 0 0 9 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.469 42.2-106.3 -69.3 155.6 42.6 90.4 2.1 345 137 B Q G >4 S+ 0 0 48 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.816 117.8 55.6 -55.2 -36.3 43.5 91.7 5.5 346 138 B D G 34 S+ 0 0 66 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.279 106.5 51.6 -84.5 12.1 45.6 88.7 6.5 347 139 B E G <> S+ 0 0 2 -3,-2.0 4,-1.6 2,-0.1 -1,-0.2 0.535 84.0 81.8-120.3 -15.2 47.9 89.0 3.4 348 140 B V H S+ 0 0 1 -4,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.899 108.7 53.3 -63.4 -42.0 51.6 91.7 6.1 350 142 B N H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.758 103.7 58.8 -66.5 -26.0 52.8 88.9 3.9 351 143 B Y H X S+ 0 0 0 -4,-1.6 4,-2.3 -3,-0.2 5,-0.2 0.976 107.6 41.9 -66.3 -58.0 53.2 91.3 1.0 352 144 B F H X S+ 0 0 2 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.826 114.2 54.6 -61.7 -32.2 55.7 93.7 2.6 353 145 B I H X S+ 0 0 32 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.934 107.8 49.7 -60.7 -47.3 57.4 90.6 4.0 354 146 B W H X S+ 0 0 47 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.862 114.1 44.4 -61.1 -38.4 57.7 89.3 0.4 355 147 B R H X S+ 0 0 17 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.880 115.0 49.1 -72.1 -38.4 59.1 92.7 -0.7 356 148 B Q H X S+ 0 0 6 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.892 110.4 49.0 -70.1 -41.7 61.4 92.9 2.2 357 149 B Q H X S+ 0 0 64 -4,-3.3 4,-1.6 1,-0.2 -1,-0.2 0.885 112.6 49.2 -63.4 -38.4 62.8 89.3 1.8 358 150 B D H X S+ 0 0 51 -4,-1.4 4,-1.7 -5,-0.3 -2,-0.2 0.796 106.1 58.6 -68.3 -29.8 63.3 90.2 -1.9 359 151 B A H X S+ 0 0 7 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.886 105.0 48.9 -66.1 -40.6 65.1 93.4 -0.7 360 152 B S H X S+ 0 0 36 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.906 108.1 53.4 -66.9 -43.2 67.6 91.4 1.3 361 153 B K H X S+ 0 0 52 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.898 110.7 46.7 -59.4 -43.4 68.4 89.0 -1.6 362 154 B N H X S+ 0 0 71 -4,-1.7 4,-1.1 2,-0.2 -1,-0.2 0.859 112.0 51.2 -67.1 -36.8 69.1 91.9 -4.0 363 155 B S H X S+ 0 0 6 -4,-1.7 4,-2.3 31,-0.3 5,-0.2 0.913 111.8 45.3 -68.1 -44.7 71.3 93.7 -1.4 364 156 B I H X S+ 0 0 28 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.883 114.8 49.0 -65.2 -38.6 73.4 90.6 -0.7 365 157 B S H X S+ 0 0 85 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.699 112.0 50.2 -74.6 -19.8 73.7 89.9 -4.4 366 158 B M H X S+ 0 0 31 -4,-1.1 4,-1.6 2,-0.2 -2,-0.2 0.884 110.7 45.4 -84.9 -43.7 74.7 93.6 -5.0 367 159 B V H < S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.1 0.908 110.9 54.3 -65.4 -43.2 77.5 93.8 -2.4 368 160 B A H < S+ 0 0 44 -4,-1.8 3,-0.3 -5,-0.2 -1,-0.2 0.823 107.0 54.5 -60.2 -32.9 79.0 90.5 -3.5 369 161 B Q H < S+ 0 0 78 -4,-0.6 2,-0.6 1,-0.3 -2,-0.2 0.997 101.3 56.4 -65.5 -67.6 79.2 91.8 -7.1 370 162 B A < 0 0 53 -4,-1.6 -1,-0.3 1,-0.4 -2,-0.1 -0.886 360.0 360.0-115.1 101.7 81.1 95.0 -6.6 371 163 B N 0 0 128 -2,-0.6 -1,-0.4 -3,-0.3 -2,-0.2 0.480 360.0 360.0-120.6 360.0 83.4 94.0 -5.3 372 ! 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 0.0 373 172 B L 0 0 141 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-110.3 75.0 80.5 -5.7 374 173 B N > - 0 0 51 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.216 360.0-115.8 -72.6 166.1 72.7 81.0 -2.7 375 174 B G H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.838 116.0 52.9 -71.0 -34.3 72.4 84.2 -0.8 376 175 B K H > S+ 0 0 75 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.834 106.6 53.3 -70.0 -33.9 73.7 82.6 2.4 377 176 B D H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.0 47.3 -66.6 -41.2 76.7 81.3 0.5 378 177 B M H X S+ 0 0 29 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.849 113.1 48.6 -68.8 -35.7 77.5 84.8 -0.7 379 178 B Q H < S+ 0 0 43 -4,-1.8 7,-0.2 2,-0.2 -2,-0.2 0.831 109.0 54.5 -71.6 -32.8 77.0 86.2 2.8 380 179 B D H < S+ 0 0 139 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.921 113.3 40.4 -67.4 -45.8 79.3 83.5 4.2 381 180 B K H < 0 0 90 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.1 0.986 360.0 360.0 -65.8 -61.0 82.2 84.4 1.9 382 181 B L < 0 0 66 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.1 0.932 360.0 360.0 -70.9 360.0 81.8 88.2 2.0 383 ! 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 0.0 384 187 B I 0 0 126 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.2 83.5 93.1 5.1 385 188 B N - 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0 0 17 -3,-0.7 -24,-0.1 -2,-0.3 3,-0.0 -0.576 29.9-136.1 -71.6 122.2 62.5 99.7 10.0 420 224 B P - 0 0 34 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.146 26.2 -90.5 -73.3 168.9 62.1 96.3 11.6 421 225 B I >> - 0 0 82 1,-0.2 4,-2.5 2,-0.0 3,-2.1 -0.772 35.3-148.4 -78.3 111.4 62.0 92.9 9.8 422 226 B I T 34 S+ 0 0 1 -2,-0.8 -1,-0.2 1,-0.3 7,-0.1 0.789 96.0 64.7 -55.9 -29.8 58.3 92.6 9.1 423 227 B S T 34 S+ 0 0 71 1,-0.2 -1,-0.3 2,-0.1 3,-0.3 0.838 113.0 34.1 -59.6 -34.2 58.7 88.8 9.4 424 228 B K T <4 S+ 0 0 162 -3,-2.1 2,-0.8 1,-0.2 -2,-0.2 0.915 127.5 36.8 -84.4 -51.4 59.6 89.4 13.1 425 229 B D >< + 0 0 73 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 -0.668 63.7 160.6-108.4 77.5 57.4 92.4 13.8 426 230 B R T >> S+ 0 0 86 -2,-0.8 4,-2.4 -3,-0.3 3,-1.5 0.794 70.7 65.2 -68.0 -29.7 54.1 91.8 11.9 427 231 B E H 3> S+ 0 0 108 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.730 82.9 78.7 -67.0 -20.3 52.1 94.3 14.0 428 232 B Y H <4 S+ 0 0 20 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.790 113.6 19.5 -56.4 -29.7 54.3 97.0 12.6 429 233 B V H X> S+ 0 0 0 -3,-1.5 3,-2.3 -4,-0.3 4,-0.5 0.728 116.0 67.5-107.3 -38.3 52.2 96.8 9.4 430 234 B E H 3X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.3 3,-0.5 0.672 84.8 75.4 -61.0 -17.9 49.1 95.1 10.8 431 235 B Q H 3< S+ 0 0 93 -4,-1.6 -1,-0.3 1,-0.2 -3,-0.1 0.714 100.0 43.4 -65.4 -20.9 48.3 98.2 12.9 432 236 B F H <4 S+ 0 0 41 -3,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.555 112.5 53.1 -99.0 -12.2 47.1 99.8 9.6 433 237 B V H < S+ 0 0 0 -4,-0.5 2,-0.5 -3,-0.5 -2,-0.2 0.842 107.5 47.7 -92.2 -39.6 45.2 96.8 8.4 434 238 B Y < 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -137,-0.0 -0.923 360.0 360.0-109.4 123.1 43.0 96.1 11.5 435 239 B L 0 0 132 -2,-0.5 -1,-0.2 -3,-0.1 -138,-0.0 0.970 360.0 360.0 -66.5 360.0 41.1 99.1 13.0 436 !* 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 0.0 437 3 C S 0 0 131 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 177.7 51.9 79.4 -33.5 438 4 C I > + 0 0 98 2,-0.1 4,-2.1 3,-0.1 5,-0.1 0.524 360.0 62.3-112.6 -17.0 48.3 80.3 -34.2 439 5 C G H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.784 100.7 55.6 -74.4 -28.7 47.0 78.7 -31.1 440 6 C D H > S+ 0 0 91 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.836 109.1 47.3 -69.9 -34.4 49.1 81.1 -29.1 441 7 C R H > S+ 0 0 24 2,-0.2 4,-1.4 1,-0.1 3,-0.3 0.950 114.2 44.7 -70.2 -50.9 47.4 84.0 -30.9 442 8 C M H X S+ 0 0 3 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.871 112.6 50.4 -64.8 -39.9 43.9 82.7 -30.4 443 9 C K H X S+ 0 0 31 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.759 105.7 59.7 -68.8 -23.5 44.3 81.8 -26.7 444 10 C R H X S+ 0 0 116 -4,-0.7 4,-0.6 -3,-0.3 -2,-0.2 0.874 103.0 49.2 -73.3 -38.1 45.8 85.3 -26.2 445 11 C Y H < S+ 0 0 7 -4,-1.4 3,-0.4 1,-0.2 335,-0.3 0.844 112.1 51.3 -65.2 -35.0 42.5 86.9 -27.4 446 12 C E H >< S+ 0 0 22 -4,-1.4 3,-1.8 1,-0.2 -2,-0.2 0.926 104.2 55.1 -66.8 -46.8 40.7 84.6 -25.0 447 13 C N H >< S+ 0 0 85 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.609 87.1 80.0 -66.9 -12.6 42.9 85.5 -22.0 448 14 C A T 3< S+ 0 0 11 -4,-0.6 -1,-0.3 -3,-0.4 -432,-0.3 0.630 107.3 30.7 -69.1 -12.6 42.1 89.2 -22.4 449 15 C Y T < S+ 0 0 6 -3,-1.8 2,-1.3 -4,-0.1 -1,-0.3 0.036 84.4 116.9-133.2 24.7 38.8 88.4 -20.7 450 16 C R < - 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