==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 28-APR-05 1ZJB . COMPND 2 MOLECULE: TREHALULOSE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MESOACIDOPHILA; . AUTHOR S.RAVAUD,X.ROBERT,R.HASER,N.AGHAJARI . 1112 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41684.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 733 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 112 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 51 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 7 7 2 3 2 0 2 3 2 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 4 8 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 . 10 4 0 6 2 2 0 2 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 . 6 2 0 2 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 2 A P 0 0 192 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.9 -33.9 20.2 45.3 2 3 A G - 0 0 75 1,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.631 360.0-111.1-101.6 162.2 -35.0 23.0 47.7 3 4 A A - 0 0 54 -2,-0.2 5,-0.1 1,-0.1 474,-0.0 -0.688 44.8 -90.8 -91.6 148.4 -32.8 25.6 49.3 4 5 A P >> - 0 0 53 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.178 39.1-110.3 -52.9 150.1 -32.2 25.5 53.0 5 6 A W H >> S+ 0 0 62 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.849 115.7 61.1 -52.5 -36.4 -34.7 27.4 55.1 6 7 A W H 34 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.2 3,-0.2 0.723 92.6 63.0 -68.2 -22.1 -32.0 30.0 56.0 7 8 A K H <4 S+ 0 0 43 -3,-1.6 351,-0.3 1,-0.2 -1,-0.2 0.783 113.8 33.2 -73.7 -23.5 -31.4 31.1 52.4 8 9 A S H << S+ 0 0 55 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.358 98.1 108.1-111.7 7.0 -35.0 32.4 52.0 9 10 A A < - 0 0 3 -4,-0.5 2,-0.5 -3,-0.2 36,-0.1 -0.424 61.5-138.1 -83.2 157.1 -35.5 33.6 55.5 10 11 A V - 0 0 0 34,-0.2 36,-1.9 349,-0.1 37,-1.2 -0.980 24.5-157.1-115.1 119.6 -35.7 37.2 56.7 11 12 A F E -ab 47 361A 2 349,-2.7 351,-2.8 -2,-0.5 2,-0.4 -0.695 8.2-156.4 -98.6 152.4 -33.8 37.7 60.0 12 13 A Y E -ab 48 362A 0 35,-2.0 37,-2.2 -2,-0.3 2,-0.6 -0.991 13.8-140.9-125.4 132.0 -34.3 40.5 62.6 13 14 A Q E -ab 49 363A 2 349,-2.8 351,-2.0 -2,-0.4 2,-0.5 -0.852 14.5-165.4-100.1 124.9 -31.4 41.4 64.9 14 15 A V E -a 50 0A 0 35,-2.6 37,-2.0 -2,-0.6 3,-0.1 -0.938 13.9-161.2-111.7 125.2 -32.3 42.2 68.5 15 16 A Y > - 0 0 0 -2,-0.5 3,-2.2 35,-0.2 4,-0.3 -0.878 17.9-158.9-101.2 93.2 -29.8 43.9 70.8 16 17 A P G >> S+ 0 0 4 0, 0.0 3,-1.5 0, 0.0 4,-0.7 0.817 83.4 64.8 -42.9 -47.2 -31.6 42.8 74.1 17 18 A R G 34 S+ 0 0 23 1,-0.3 11,-2.8 10,-0.1 419,-0.2 0.776 116.7 28.5 -50.9 -29.4 -30.1 45.5 76.2 18 19 A S G <4 S+ 0 0 0 -3,-2.2 402,-2.7 9,-0.2 -1,-0.3 0.228 104.3 77.3-121.7 16.2 -31.9 48.1 74.1 19 20 A F T <4 S- 0 0 2 -3,-1.5 2,-0.3 -4,-0.3 -2,-0.1 0.949 105.0 -16.0 -92.5 -63.9 -35.1 46.4 72.9 20 21 A K < - 0 0 30 -4,-0.7 9,-2.4 9,-0.2 2,-0.4 -0.888 51.4-157.6-152.4 119.1 -37.6 46.3 75.7 21 22 A D + 0 0 6 409,-2.1 7,-0.2 -2,-0.3 -4,-0.0 -0.776 11.9 176.1 -92.1 131.8 -37.3 46.8 79.5 22 23 A T S S+ 0 0 45 -2,-0.4 -1,-0.1 5,-0.3 6,-0.1 0.256 74.4 45.3-119.8 11.2 -40.0 45.2 81.6 23 24 A N S S- 0 0 108 4,-0.3 -1,-0.1 0, 0.0 408,-0.1 0.240 103.1-112.5-138.3 14.9 -38.8 45.9 85.2 24 25 A G S S+ 0 0 25 1,-0.1 410,-0.4 409,-0.1 407,-0.1 0.615 79.7 119.6 66.9 18.0 -37.8 49.5 85.1 25 26 A D S S- 0 0 72 2,-0.3 -1,-0.1 408,-0.2 3,-0.1 0.449 85.7-111.5 -91.5 1.9 -34.0 49.2 85.6 26 27 A G S S+ 0 0 0 1,-0.2 410,-2.6 409,-0.1 2,-0.4 0.521 85.9 103.8 84.6 5.8 -33.4 50.9 82.3 27 28 A I S S- 0 0 23 408,-0.2 -5,-0.3 409,-0.1 -2,-0.3 -0.971 72.1-117.6-124.2 135.7 -32.0 47.8 80.5 28 29 A G - 0 0 0 -11,-2.8 -7,-0.3 -2,-0.4 2,-0.3 -0.237 38.1-174.7 -65.2 158.0 -33.9 45.6 78.0 29 30 A D > - 0 0 9 -9,-2.4 4,-1.9 1,-0.1 -9,-0.2 -0.903 39.7 -91.5-149.2 175.3 -34.5 42.0 79.0 30 31 A F H > S+ 0 0 1 45,-2.2 4,-3.1 -2,-0.3 5,-0.2 0.869 120.5 54.3 -59.4 -43.0 -35.9 38.6 77.9 31 32 A K H > S+ 0 0 109 44,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.889 107.9 52.5 -61.0 -36.1 -39.4 39.2 79.1 32 33 A G H > S+ 0 0 0 -12,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.926 111.7 44.1 -64.4 -45.2 -39.4 42.4 77.1 33 34 A L H >< S+ 0 0 3 -4,-1.9 3,-1.3 -13,-0.3 -2,-0.2 0.940 112.8 51.8 -64.7 -44.5 -38.4 40.5 73.9 34 35 A T H >< S+ 0 0 23 -4,-3.1 3,-1.4 1,-0.3 4,-0.3 0.892 105.4 56.7 -59.7 -38.3 -40.8 37.7 74.6 35 36 A E H 3< S+ 0 0 119 -4,-2.3 -1,-0.3 1,-0.3 3,-0.2 0.669 108.4 48.5 -66.0 -18.8 -43.6 40.3 75.0 36 37 A K T S+ 0 0 0 -3,-1.4 4,-3.0 1,-0.2 5,-0.2 0.851 81.0 55.0 -63.8 -33.4 -42.8 38.4 69.5 38 39 A D H > S+ 0 0 103 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.864 105.5 53.5 -66.2 -33.0 -46.2 39.2 68.0 39 40 A Y H > S+ 0 0 27 -3,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.949 113.8 41.6 -63.2 -48.0 -44.9 42.6 66.9 40 41 A L H X>S+ 0 0 0 -4,-2.0 5,-2.2 2,-0.2 4,-1.1 0.902 113.5 52.0 -67.1 -41.2 -42.0 40.8 65.1 41 42 A K H ><5S+ 0 0 97 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 0.917 108.3 53.6 -61.2 -40.4 -44.2 38.0 63.7 42 43 A G H 3<5S+ 0 0 36 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.798 102.8 55.1 -64.9 -30.5 -46.5 40.7 62.4 43 44 A L H 3<5S- 0 0 1 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.774 124.7-106.5 -71.7 -25.0 -43.7 42.4 60.5 44 45 A G T <<5 + 0 0 21 -4,-1.1 2,-0.2 -3,-0.6 -34,-0.2 0.568 59.2 166.1 107.8 17.5 -43.0 39.1 58.9 45 46 A I < - 0 0 1 -5,-2.2 -1,-0.2 1,-0.1 -34,-0.2 -0.469 19.7-174.6 -71.8 131.1 -39.9 38.0 60.7 46 47 A D + 0 0 47 -36,-1.9 48,-1.5 1,-0.3 2,-0.3 0.782 68.4 6.8 -90.9 -37.0 -38.9 34.4 60.4 47 48 A A E -ac 11 94A 0 -37,-1.2 -35,-2.0 46,-0.2 2,-0.4 -0.993 61.6-144.5-151.0 152.5 -35.9 34.3 62.7 48 49 A I E -ac 12 95A 0 46,-2.2 48,-3.1 -2,-0.3 2,-0.6 -0.946 3.0-154.5-122.9 140.4 -34.2 36.5 65.2 49 50 A W E -ac 13 96A 2 -37,-2.2 -35,-2.6 -2,-0.4 2,-0.4 -0.969 18.5-160.7-109.8 122.6 -30.5 36.8 66.1 50 51 A I E -ac 14 97A 1 46,-2.3 48,-0.6 -2,-0.6 -35,-0.2 -0.851 17.2-120.9-104.7 140.5 -30.0 38.0 69.6 51 52 A N - 0 0 1 -37,-2.0 47,-0.2 -2,-0.4 11,-0.1 -0.164 66.2 -41.0 -66.8 171.9 -26.8 39.6 70.8 52 53 A P + 0 0 0 0, 0.0 -1,-0.2 0, 0.0 11,-0.1 -0.057 55.1 176.1 -41.3 128.0 -24.9 37.9 73.8 53 54 A H + 0 0 0 45,-0.3 19,-2.5 -3,-0.2 2,-0.2 0.068 41.8 109.4-122.4 20.4 -27.3 36.8 76.5 54 55 A Y E S-H 71 0B 3 17,-0.3 17,-0.3 8,-0.3 14,-0.1 -0.520 82.8 -68.4 -99.0 166.4 -24.8 35.0 78.9 55 56 A A E +H 67 0B 15 15,-2.0 11,-2.3 12,-0.9 12,-1.0 -0.241 69.6 158.4 -52.0 129.7 -23.4 35.9 82.3 56 57 A S - 0 0 16 9,-0.3 9,-0.2 10,-0.2 17,-0.1 -0.987 55.9-137.9-161.4 143.1 -21.2 39.0 81.8 57 58 A P - 0 0 61 0, 0.0 4,-0.1 0, 0.0 8,-0.1 0.556 51.9-132.6 -75.3 -8.6 -19.6 41.9 83.7 58 59 A N > + 0 0 19 6,-0.6 3,-1.1 2,-0.1 7,-0.1 0.763 61.1 142.0 63.2 31.4 -20.6 43.9 80.6 59 60 A T T 3 S+ 0 0 36 1,-0.3 325,-0.3 5,-0.2 -1,-0.1 0.780 94.4 23.7 -69.3 -22.8 -17.4 45.7 79.9 60 61 A D T > S- 0 0 9 4,-0.1 3,-2.0 106,-0.1 -1,-0.3 -0.245 122.9-102.0-132.1 42.3 -18.3 45.1 76.3 61 62 A N T < S- 0 0 6 -3,-1.1 -44,-0.1 1,-0.3 -2,-0.1 0.838 93.0 -24.5 37.0 62.2 -22.1 44.6 76.8 62 63 A G T 3 S+ 0 0 0 2,-0.2 -1,-0.3 -11,-0.1 -8,-0.3 0.060 117.5 95.3 101.4 -25.7 -22.3 40.9 76.6 63 64 A Y S < S+ 0 0 5 -3,-2.0 2,-0.6 1,-0.2 -2,-0.1 0.399 74.4 69.3 -81.7 3.1 -19.1 40.1 74.6 64 65 A D S S- 0 0 0 -10,-0.1 -6,-0.6 -12,-0.1 2,-0.5 -0.866 78.0-167.5-119.2 91.8 -17.1 39.5 77.8 65 66 A I + 0 0 0 -2,-0.6 40,-2.7 38,-0.3 -9,-0.3 -0.699 23.8 179.9 -90.6 127.5 -18.6 36.3 79.1 66 67 A S S S+ 0 0 31 -11,-2.3 43,-0.7 -2,-0.5 2,-0.3 0.574 81.3 17.5 -99.5 -11.0 -17.9 35.0 82.6 67 68 A D E > -H 55 0B 62 -12,-1.0 3,-1.1 3,-0.2 -12,-0.9 -0.785 59.9-162.0-160.6 112.1 -20.0 31.8 82.4 68 69 A Y E 3 S+ 0 0 6 -2,-0.3 -1,-0.0 1,-0.2 -2,-0.0 0.595 90.8 52.7 -73.3 -10.9 -21.2 30.3 79.0 69 70 A R E 3 S+ 0 0 97 2,-0.1 2,-0.4 -15,-0.0 -1,-0.2 0.246 98.3 72.8-110.1 12.3 -23.9 28.2 80.6 70 71 A E E < S- 0 0 102 -3,-1.1 -15,-2.0 -15,-0.1 -3,-0.2 -0.946 80.1-116.8-126.1 148.7 -25.7 30.9 82.6 71 72 A V E -H 54 0B 13 -2,-0.4 -17,-0.3 -17,-0.3 2,-0.3 -0.438 41.6 -91.7 -79.4 154.6 -27.9 33.7 81.4 72 73 A M >> - 0 0 0 -19,-2.5 3,-1.4 -17,-0.2 4,-1.2 -0.517 32.8-132.4 -67.5 130.4 -26.9 37.3 81.9 73 74 A K G >4 S+ 0 0 179 1,-0.3 3,-0.5 -2,-0.3 -1,-0.1 0.870 103.9 56.8 -52.1 -42.5 -28.4 38.6 85.2 74 75 A E G 34 S+ 0 0 68 1,-0.2 -1,-0.3 -45,-0.0 -49,-0.1 0.781 106.5 49.5 -62.5 -27.7 -29.8 41.7 83.6 75 76 A Y G <4 S- 0 0 5 -3,-1.4 -45,-2.2 1,-0.3 -44,-0.5 0.718 115.2-107.5 -87.5 -18.0 -31.8 39.8 81.0 76 77 A G << - 0 0 23 -4,-1.2 -1,-0.3 -3,-0.5 2,-0.2 -0.983 47.1 -40.8 136.0-147.0 -33.4 37.4 83.4 77 78 A T > - 0 0 75 -2,-0.4 4,-2.1 -3,-0.1 3,-0.1 -0.676 52.2-100.5-118.8 171.7 -33.1 33.7 84.3 78 79 A M H > S+ 0 0 45 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.867 125.2 58.7 -59.7 -32.6 -32.6 30.5 82.4 79 80 A E H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 104.1 49.5 -62.4 -42.6 -36.4 30.1 82.8 80 81 A D H > S+ 0 0 15 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 111.1 49.9 -61.6 -42.5 -37.0 33.3 81.0 81 82 A F H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 110.0 49.9 -61.2 -46.2 -34.7 32.2 78.2 82 83 A D H X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.859 110.1 51.1 -61.8 -37.0 -36.5 28.8 77.9 83 84 A R H X S+ 0 0 98 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.879 106.2 54.6 -68.3 -38.7 -39.8 30.7 77.8 84 85 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.2 0.961 110.7 46.3 -58.3 -49.0 -38.5 32.9 75.0 85 86 A M H X S+ 0 0 29 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 112.2 50.3 -60.7 -42.4 -37.6 29.8 73.0 86 87 A A H X S+ 0 0 49 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.903 112.1 47.3 -63.3 -40.6 -41.0 28.2 73.7 87 88 A E H X S+ 0 0 43 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.837 110.8 51.0 -71.1 -33.6 -42.9 31.3 72.5 88 89 A L H ><>S+ 0 0 3 -4,-2.3 5,-2.9 -5,-0.2 3,-0.6 0.936 111.0 49.9 -65.7 -44.9 -40.8 31.7 69.4 89 90 A K H ><5S+ 0 0 174 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.868 103.2 58.2 -62.9 -36.3 -41.5 28.1 68.5 90 91 A K H 3<5S+ 0 0 156 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.833 110.9 45.3 -62.0 -29.3 -45.3 28.5 69.1 91 92 A R T <<5S- 0 0 56 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.314 118.2-113.4 -95.9 7.0 -45.0 31.2 66.4 92 93 A G T < 5S+ 0 0 52 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.751 72.3 138.1 66.9 25.4 -42.9 29.0 64.1 93 94 A M < - 0 0 9 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.2 -0.607 43.5-139.4 -99.0 159.9 -40.0 31.4 64.5 94 95 A R E -c 47 0A 91 -48,-1.5 -46,-2.2 -2,-0.2 2,-0.4 -0.897 7.1-135.9-120.6 154.5 -36.3 30.4 65.0 95 96 A L E -c 48 0A 8 -2,-0.3 99,-1.6 97,-0.2 100,-1.2 -0.918 10.7-168.9-113.9 133.3 -33.6 31.7 67.3 96 97 A M E -cd 49 195A 0 -48,-3.1 -46,-2.3 -2,-0.4 100,-0.3 -0.982 16.3-159.6-115.3 126.2 -29.9 32.4 66.4 97 98 A V E -cd 50 196A 0 98,-2.4 100,-2.6 -2,-0.5 2,-0.4 -0.691 20.4-108.6-105.6 163.5 -27.7 33.1 69.4 98 99 A D E - d 0 197A 0 -48,-0.6 2,-0.6 -2,-0.2 -45,-0.3 -0.714 26.1-157.0 -91.9 133.1 -24.3 34.9 69.5 99 100 A V E - d 0 198A 4 98,-3.2 100,-2.6 -2,-0.4 2,-0.7 -0.956 8.4-174.0-117.7 118.3 -21.3 32.7 70.1 100 101 A V + 0 0 1 -2,-0.6 -35,-0.2 98,-0.2 100,-0.1 -0.847 29.2 137.0-116.8 89.8 -18.3 34.6 71.6 101 102 A I + 0 0 0 -2,-0.7 -1,-0.1 98,-0.4 3,-0.1 0.118 48.7 84.1-125.5 21.0 -15.3 32.2 71.7 102 103 A N S S- 0 0 0 1,-0.3 68,-1.9 97,-0.1 2,-0.3 0.716 112.4 -1.6 -84.2 -27.8 -12.4 34.2 70.5 103 104 A H B -I 169 0C 2 66,-0.3 -1,-0.3 -40,-0.1 -38,-0.3 -0.972 64.2-148.0-154.9 163.0 -12.1 35.4 74.1 104 105 A S - 0 0 0 64,-2.0 -38,-0.2 -2,-0.3 2,-0.1 -0.696 39.9 -82.6-124.8 178.1 -13.8 35.2 77.5 105 106 A S > - 0 0 0 -40,-2.7 3,-1.3 -2,-0.2 6,-0.3 -0.469 35.1-122.0 -75.7 157.8 -14.2 37.7 80.4 106 107 A D T 3 S+ 0 0 18 60,-1.3 -1,-0.1 1,-0.2 61,-0.1 0.511 114.6 63.5 -78.4 -1.2 -11.3 37.9 82.8 107 108 A Q T 3 S+ 0 0 84 59,-0.3 -1,-0.2 4,-0.1 2,-0.1 0.384 74.8 115.6 -98.1 -0.7 -13.8 37.0 85.4 108 109 A H S X> S- 0 0 13 -3,-1.3 4,-2.2 -43,-0.2 3,-0.7 -0.473 77.5-123.1 -66.9 141.4 -14.4 33.6 83.8 109 110 A E H 3> S+ 0 0 116 -43,-0.7 4,-2.4 1,-0.2 5,-0.2 0.845 110.8 61.3 -57.1 -31.9 -13.3 30.8 86.2 110 111 A W H 3> S+ 0 0 29 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.901 109.0 42.2 -61.2 -39.9 -10.9 29.5 83.5 111 112 A F H <> S+ 0 0 0 -3,-0.7 4,-2.8 -6,-0.3 -2,-0.2 0.866 110.3 54.5 -75.0 -38.4 -9.0 32.8 83.5 112 113 A K H X S+ 0 0 88 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.920 116.8 40.6 -60.3 -39.5 -9.1 33.2 87.3 113 114 A S H >< S+ 0 0 45 -4,-2.4 3,-0.8 -5,-0.2 4,-0.5 0.939 113.9 53.1 -69.4 -51.1 -7.5 29.7 87.4 114 115 A S H >< S+ 0 0 0 -4,-2.9 3,-0.7 -5,-0.2 6,-0.2 0.890 109.7 46.5 -52.1 -48.3 -5.2 30.4 84.4 115 116 A R H 3< S+ 0 0 67 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.652 91.8 83.1 -72.7 -17.0 -3.7 33.6 85.9 116 117 A A T << S- 0 0 63 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.2 0.723 106.4 -15.6 -61.8 -27.0 -3.0 32.2 89.4 117 118 A S < - 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0 0 8 -5,-0.4 -2,-0.3 -4,-0.4 -1,-0.3 -0.983 46.6-142.6-153.5 158.4 -38.7 51.7 80.0 432 433 A T S S+ 0 0 135 -2,-0.3 -1,-0.1 -3,-0.1 -5,-0.1 0.469 94.9 50.0 -97.9 -8.9 -40.6 53.2 83.0 433 434 A G S S- 0 0 25 -6,-0.1 -408,-0.2 -7,-0.1 -2,-0.2 0.073 113.0 -54.7-103.9-143.8 -37.2 53.9 84.6 434 435 A K - 0 0 179 -410,-0.4 -2,-0.1 -2,-0.0 -1,-0.1 -0.914 56.9-122.6-106.0 115.3 -34.1 55.6 83.4 435 436 A P - 0 0 15 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.199 12.7-128.0 -56.0 140.2 -32.6 54.1 80.2 436 437 A W S S+ 0 0 44 -410,-2.6 2,-0.4 -419,-0.2 -409,-0.1 0.786 102.5 26.5 -61.4 -25.1 -29.0 52.8 80.3 437 438 A L S S- 0 0 13 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.996 105.9 -93.4-137.9 136.2 -28.4 55.0 77.2 438 439 A K - 0 0 95 -2,-0.4 2,-0.2 -58,-0.2 -2,-0.1 -0.160 36.3-119.9 -56.3 139.8 -30.4 58.1 76.4 439 440 A V - 0 0 12 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.540 34.3-103.3 -77.9 141.9 -33.4 57.8 74.1 440 441 A N > - 0 0 6 -21,-0.3 3,-1.9 -2,-0.2 4,-0.1 -0.476 23.7-133.7 -66.3 129.3 -33.2 59.8 70.9 441 442 A P G > S+ 0 0 78 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.722 99.3 76.1 -58.1 -18.4 -35.5 62.9 71.2 442 443 A N G >> + 0 0 31 1,-0.3 4,-2.5 2,-0.1 3,-1.7 0.431 62.9 99.5 -76.1 9.9 -36.9 62.2 67.8 443 444 A Y G <4 + 0 0 55 -3,-1.9 -1,-0.3 1,-0.3 -3,-0.0 0.758 68.5 71.1 -64.3 -20.9 -39.0 59.4 69.3 444 445 A T G <4 S+ 0 0 61 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.1 0.772 115.2 22.9 -66.9 -22.7 -41.9 61.8 69.3 445 446 A E T <4 S+ 0 0 116 -3,-1.7 2,-0.6 1,-0.2 -2,-0.2 0.608 124.0 56.4-112.1 -22.2 -42.0 61.5 65.5 446 447 A I S < S+ 0 0 2 -4,-2.5 2,-0.3 -23,-0.1 -1,-0.2 -0.875 72.6 123.5-116.9 99.3 -40.3 58.1 65.1 447 448 A N > - 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0 0 0 -4,-3.4 3,-1.5 -5,-0.1 4,-0.3 -0.038 59.3-134.7 -51.3 141.3 27.7 64.0 110.9 970 414 B R G > S+ 0 0 18 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.744 101.9 73.5 -63.7 -25.5 29.3 60.7 110.2 971 415 B D G >> S+ 0 0 0 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.741 78.9 73.0 -64.6 -20.9 31.4 62.6 107.6 972 416 B N G <4 S+ 0 0 0 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.818 102.5 42.9 -59.7 -30.8 33.5 64.1 110.4 973 417 B A G <4 S+ 0 0 1 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.530 107.5 63.3 -92.0 -7.0 35.0 60.7 110.9 974 418 B R T <4 + 0 0 2 -3,-0.9 -2,-0.2 -4,-0.4 -1,-0.2 0.408 66.0 116.6-103.4 2.5 35.4 60.0 107.2 975 419 B T S < S- 0 0 1 -4,-0.5 21,-0.1 -3,-0.3 20,-0.1 -0.402 82.8 -77.5 -69.6 148.6 37.9 62.7 106.1 976 420 B P - 0 0 0 0, 0.0 21,-0.3 0, 0.0 -400,-0.2 -0.118 50.6-102.0 -50.0 137.6 41.2 61.2 104.8 977 421 B F - 0 0 0 -402,-2.5 2,-1.1 -3,-0.1 -55,-0.1 -0.357 36.1-122.7 -59.4 138.7 43.7 59.9 107.4 978 422 B Q + 0 0 1 1,-0.2 27,-2.4 -3,-0.1 8,-0.1 -0.735 39.5 166.7 -94.6 95.1 46.5 62.5 107.8 979 423 B W - 0 0 15 6,-1.5 27,-2.5 -2,-1.1 2,-0.2 0.885 62.3 -33.5 -75.2 -43.6 49.7 60.7 107.0 980 424 B D - 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0 0 180 -410,-0.4 -2,-0.1 -2,-0.1 -1,-0.1 -0.907 58.0-119.6-104.3 118.8 41.8 64.5 94.4 992 436 B P - 0 0 17 0, 0.0 -408,-0.2 0, 0.0 -409,-0.1 -0.225 12.3-130.0 -55.1 140.3 40.4 63.0 97.8 993 437 B W S S+ 0 0 43 -410,-2.4 2,-0.3 -419,-0.2 -409,-0.1 0.790 102.1 24.6 -63.5 -25.4 36.8 61.7 97.6 994 438 B L S S- 0 0 12 -411,-0.3 -1,-0.2 -20,-0.1 -56,-0.1 -0.994 106.9 -93.0-137.1 136.4 36.1 63.9 100.6 995 439 B K - 0 0 97 -2,-0.3 2,-0.2 -58,-0.2 -2,-0.1 -0.160 36.5-120.2 -56.0 139.9 38.2 67.0 101.5 996 440 B V - 0 0 19 -21,-0.1 -1,-0.1 1,-0.1 -11,-0.1 -0.567 35.0-102.0 -78.7 141.1 41.2 66.6 103.8 997 441 B N > - 0 0 7 -21,-0.3 3,-1.8 -2,-0.2 4,-0.1 -0.450 23.8-132.6 -63.6 129.7 41.0 68.7 107.0 998 442 B P G > S+ 0 0 78 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.740 100.2 75.8 -56.9 -20.9 43.2 71.8 106.6 999 443 B N G >> + 0 0 30 1,-0.3 4,-2.1 2,-0.1 3,-1.6 0.431 63.2 98.5 -73.9 8.2 44.6 71.0 110.1 1000 444 B Y G <4 + 0 0 55 -3,-1.8 -1,-0.3 1,-0.3 -3,-0.0 0.777 69.0 71.3 -64.5 -23.0 46.7 68.2 108.5 1001 445 B T G <4 S+ 0 0 64 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.810 115.5 22.5 -62.6 -27.7 49.6 70.7 108.5 1002 446 B E T <4 S+ 0 0 114 -3,-1.6 2,-0.6 1,-0.2 -2,-0.2 0.582 123.7 56.9-110.7 -18.5 49.7 70.4 112.3 1003 447 B I S < S+ 0 0 2 -4,-2.1 2,-0.3 -23,-0.1 -1,-0.2 -0.903 72.4 123.5-119.8 99.5 48.0 67.0 112.8 1004 448 B N > - 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