==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 13-APR-07 2YVK . COMPND 2 MOLECULE: METHYLTHIORIBOSE-1-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR H.TAMURA,T.INOUE,Y.KAI,H.MATSUMURA . 1396 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50901.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1028 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 108 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 7.4 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.9 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 . 99 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 180 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 444 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.4 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 8 0 2 5 8 4 5 0 1 3 0 2 4 2 0 0 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 4 8 8 4 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 PARALLEL BRIDGES PER LADDER . 6 8 7 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 ANTIPARALLEL BRIDGES PER LADDER . 3 4 4 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 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 0 142 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 104.5 48.9 -19.6 -18.3 2 2 A T G > + 0 0 62 1,-0.3 3,-0.9 2,-0.1 4,-0.1 0.890 360.0 54.9 -60.1 -41.3 48.7 -19.1 -14.6 3 3 A H G > S+ 0 0 100 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.339 75.5 103.1 -76.6 8.3 52.3 -17.7 -14.4 4 4 A S G X S+ 0 0 21 -3,-1.5 3,-1.1 206,-0.4 -1,-0.2 0.765 72.6 63.3 -62.3 -24.3 51.6 -15.0 -17.0 5 5 A F G < S+ 0 0 25 -3,-0.9 165,-2.6 1,-0.2 -1,-0.3 0.767 92.2 63.5 -70.5 -26.3 51.3 -12.5 -14.1 6 6 A A G < S+ 0 0 26 -3,-1.3 -1,-0.2 163,-0.2 -2,-0.2 0.356 97.4 69.8 -81.1 6.9 55.0 -13.1 -13.2 7 7 A V S < S- 0 0 71 -3,-1.1 163,-0.1 -4,-0.1 2,-0.1 -0.978 93.0-102.6-128.1 140.1 56.1 -11.7 -16.6 8 8 A P + 0 0 30 0, 0.0 161,-0.2 0, 0.0 160,-0.1 -0.364 52.4 146.6 -61.0 127.8 55.9 -8.1 -18.0 9 9 A R + 0 0 14 159,-0.6 3,-0.1 155,-0.4 12,-0.1 0.504 60.3 65.5-133.1 -27.6 53.0 -7.6 -20.4 10 10 A S S S- 0 0 0 158,-0.5 11,-1.2 154,-0.4 2,-0.3 0.954 115.9 -5.0 -66.8 -53.2 51.9 -4.0 -19.8 11 11 A V E -A 20 0A 1 157,-0.3 2,-0.3 9,-0.2 -1,-0.3 -0.996 59.3-179.9-150.1 140.4 55.0 -2.2 -21.0 12 12 A E E -A 19 0A 87 7,-2.1 7,-2.5 -2,-0.3 2,-0.2 -0.985 24.7-128.6-145.1 127.7 58.4 -3.3 -22.3 13 13 A W E +A 18 0A 47 -2,-0.3 5,-0.2 5,-0.2 3,-0.0 -0.537 23.1 176.6 -77.7 140.2 61.3 -1.1 -23.4 14 14 A K - 0 0 84 3,-2.0 2,-3.7 -2,-0.2 4,-0.1 -0.061 44.2-115.5-136.3 36.9 62.9 -1.9 -26.8 15 15 A E S S+ 0 0 140 1,-0.2 3,-0.1 110,-0.0 -2,-0.0 -0.235 113.7 28.2 64.1 -60.7 65.6 0.8 -27.4 16 16 A T S S+ 0 0 98 -2,-3.7 2,-0.3 1,-0.1 -1,-0.2 0.003 129.8 30.7-118.0 27.1 63.7 2.2 -30.4 17 17 A A - 0 0 2 2,-0.0 -3,-2.0 17,-0.0 2,-0.5 -0.906 62.3-137.0-177.7 150.3 60.2 1.3 -29.4 18 18 A I E -AB 13 35A 0 17,-2.7 17,-3.1 -2,-0.3 2,-0.4 -0.977 21.8-156.1-118.8 118.8 57.9 0.7 -26.4 19 19 A T E +AB 12 34A 20 -7,-2.5 -7,-2.1 -2,-0.5 2,-0.3 -0.813 18.1 171.0 -98.8 133.9 55.6 -2.3 -26.5 20 20 A I E -AB 11 33A 0 13,-1.8 13,-2.1 -2,-0.4 2,-0.4 -0.887 38.4-104.8-134.4 164.4 52.5 -2.4 -24.5 21 21 A L E - B 0 32A 0 -11,-1.2 2,-1.6 -2,-0.3 11,-0.3 -0.784 35.7-123.8 -87.6 133.1 49.4 -4.6 -24.2 22 22 A N > - 0 0 6 9,-3.8 3,-1.3 -2,-0.4 4,-0.4 -0.631 29.4-173.1 -78.2 92.3 46.4 -3.0 -25.9 23 23 A Q G > S+ 0 0 0 26,-3.0 3,-0.7 -2,-1.6 -1,-0.2 0.671 72.7 74.4 -64.6 -14.5 44.2 -3.0 -22.9 24 24 A Q G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 25,-0.1 0.877 95.8 51.1 -63.8 -35.9 41.2 -1.8 -24.9 25 25 A K G <> S+ 0 0 75 -3,-1.3 4,-2.3 6,-0.1 3,-0.3 0.582 90.0 142.2 -81.0 -11.8 40.9 -5.2 -26.5 26 26 A L T <4 + 0 0 0 -3,-0.7 177,-0.1 -4,-0.4 176,-0.1 -0.450 59.4 14.6 -72.8 152.4 40.8 -7.3 -23.4 27 27 A P T 4 S+ 0 0 17 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.989 124.1 57.0 -90.3 -5.7 39.4 -9.7 -22.5 28 28 A D T 4 S- 0 0 94 -3,-0.3 2,-0.3 1,-0.2 -2,-0.2 0.933 122.6 -2.0 -43.7 -62.5 38.3 -10.5 -26.1 29 29 A E < - 0 0 107 -4,-2.3 2,-0.6 -7,-0.1 -1,-0.2 -0.949 61.3-129.8-137.9 156.6 41.9 -10.5 -27.4 30 30 A T + 0 0 83 -2,-0.3 2,-0.4 -3,-0.1 -7,-0.1 -0.920 38.9 164.1-107.1 112.4 45.5 -10.0 -26.3 31 31 A E - 0 0 58 -2,-0.6 -9,-3.8 -9,-0.3 2,-0.4 -0.984 25.2-149.8-133.9 141.2 47.4 -7.7 -28.6 32 32 A Y E -B 21 0A 115 -2,-0.4 2,-0.3 -11,-0.3 -11,-0.2 -0.899 12.5-160.6-111.2 138.0 50.6 -5.7 -28.3 33 33 A L E -B 20 0A 57 -13,-2.1 -13,-1.8 -2,-0.4 2,-0.5 -0.822 16.3-126.7-115.0 157.2 51.3 -2.4 -30.0 34 34 A E E -B 19 0A 132 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.906 19.3-160.6-106.3 123.3 54.5 -0.7 -30.8 35 35 A L E +B 18 0A 9 -17,-3.1 -17,-2.7 -2,-0.5 3,-0.1 -0.914 23.5 157.2-104.6 127.1 54.9 2.9 -29.5 36 36 A T + 0 0 64 -2,-0.5 2,-0.3 -19,-0.2 -1,-0.1 0.446 54.1 52.8-128.2 -4.7 57.6 5.0 -31.2 37 37 A T S > S- 0 0 52 1,-0.1 4,-2.0 30,-0.0 5,-0.2 -0.880 78.8-115.7-132.6 164.4 56.6 8.6 -30.8 38 38 A K H > S+ 0 0 47 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.809 118.2 55.7 -66.5 -28.9 55.7 11.0 -27.9 39 39 A E H > S+ 0 0 95 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.851 105.3 52.7 -70.3 -36.4 52.3 11.3 -29.5 40 40 A D H > S+ 0 0 58 2,-0.2 4,-2.8 1,-0.2 3,-0.5 0.979 108.5 46.9 -62.4 -59.0 51.8 7.5 -29.4 41 41 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.3 -1,-0.2 0.904 113.6 52.1 -50.1 -40.6 52.6 7.2 -25.7 42 42 A F H X S+ 0 0 52 -4,-1.6 4,-1.9 -5,-0.2 -1,-0.3 0.850 110.3 47.5 -64.6 -37.7 50.2 10.2 -25.3 43 43 A D H X S+ 0 0 67 -4,-2.0 4,-2.7 -3,-0.5 -2,-0.2 0.949 108.9 52.5 -68.5 -50.1 47.5 8.4 -27.2 44 44 A A H <>S+ 0 0 0 -4,-2.8 5,-3.0 1,-0.2 6,-1.3 0.837 112.3 47.3 -55.1 -36.9 47.8 5.1 -25.4 45 45 A I H ><5S+ 0 0 0 -4,-1.6 3,-1.3 -5,-0.3 -1,-0.2 0.960 114.1 42.6 -72.4 -53.3 47.4 6.9 -22.1 46 46 A V H 3<5S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.860 119.0 46.0 -63.3 -34.1 44.4 9.0 -22.8 47 47 A T T 3<5S- 0 0 40 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.312 111.3-119.8 -91.1 5.8 42.7 6.2 -24.6 48 48 A L T < 5 + 0 0 16 -3,-1.3 -3,-0.2 2,-0.2 3,-0.2 0.852 69.3 137.7 59.3 40.0 43.5 3.6 -21.8 49 49 A K S S- 0 0 12 -2,-0.3 4,-2.3 3,-0.1 5,-0.2 0.315 77.7 -95.4 100.6 124.2 46.9 1.7 -13.9 53 53 A A H > S+ 0 0 3 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.856 119.4 41.7 -39.9 -60.9 49.0 4.3 -12.0 54 54 A P H > S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.941 114.8 49.7 -60.1 -44.9 52.4 2.5 -12.0 55 55 A A H > S+ 0 0 0 111,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.865 110.0 53.3 -60.2 -34.0 52.2 1.2 -15.6 56 56 A I H X S+ 0 0 3 -4,-2.3 4,-2.9 110,-0.3 -1,-0.2 0.909 111.3 45.9 -65.8 -41.6 51.3 4.7 -16.7 57 57 A G H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.969 114.3 46.4 -64.4 -53.4 54.3 6.1 -14.9 58 58 A I H X S+ 0 0 2 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.896 116.6 46.1 -55.4 -42.8 56.7 3.4 -16.3 59 59 A T H X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.913 112.3 48.9 -69.0 -42.8 55.2 3.9 -19.7 60 60 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.910 109.1 54.2 -63.2 -41.2 55.4 7.7 -19.6 61 61 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.922 107.9 49.3 -57.9 -46.9 59.0 7.6 -18.4 62 62 A F H X S+ 0 0 0 -4,-1.8 4,-2.2 -5,-0.2 -1,-0.2 0.839 109.8 52.0 -63.3 -34.7 60.0 5.4 -21.4 63 63 A G H X S+ 0 0 2 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.936 108.8 49.1 -67.8 -46.3 58.3 7.8 -23.8 64 64 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.962 115.0 45.0 -55.9 -51.5 60.1 10.8 -22.4 65 65 A A H X S+ 0 0 2 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.873 114.5 50.4 -59.2 -38.8 63.4 9.0 -22.7 66 66 A L H >< S+ 0 0 16 -4,-2.2 3,-1.0 -5,-0.2 4,-0.3 0.933 112.0 44.7 -66.7 -46.8 62.4 7.8 -26.1 67 67 A A H >< S+ 0 0 9 -4,-3.3 3,-1.4 1,-0.2 4,-0.4 0.766 100.7 69.8 -69.6 -26.5 61.5 11.2 -27.4 68 68 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 -5,-0.3 -1,-0.2 0.728 86.6 68.2 -64.7 -21.1 64.6 12.8 -25.9 69 69 A K T << S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.737 93.2 57.3 -70.3 -23.5 66.7 11.0 -28.5 70 70 A D T < S+ 0 0 122 -3,-1.4 2,-0.5 -4,-0.3 -1,-0.2 0.661 78.7 112.6 -80.6 -16.2 65.2 13.1 -31.3 71 71 A I < - 0 0 2 -3,-0.7 2,-0.7 -4,-0.4 8,-0.1 -0.436 58.5-153.6 -63.9 111.6 66.4 16.3 -29.6 72 72 A E + 0 0 183 -2,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.797 42.3 112.3 -91.5 108.9 69.1 17.7 -31.8 73 73 A T - 0 0 41 -2,-0.7 44,-0.1 1,-0.1 -2,-0.0 -0.824 52.5-157.2-179.6 139.0 71.6 19.8 -29.8 74 74 A D S S+ 0 0 168 -2,-0.2 2,-0.8 43,-0.1 43,-0.3 0.633 81.1 89.9 -89.3 -19.0 75.1 20.0 -28.5 75 75 A N > - 0 0 84 1,-0.2 4,-2.0 41,-0.1 3,-0.3 -0.724 61.9-162.7 -86.8 108.7 73.9 22.4 -25.7 76 76 A V H > S+ 0 0 23 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.849 91.3 52.0 -59.4 -37.7 72.9 20.4 -22.6 77 77 A T H > S+ 0 0 63 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.847 109.6 48.8 -69.7 -31.9 71.0 23.3 -21.1 78 78 A E H > S+ 0 0 79 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.847 110.3 55.9 -72.6 -31.4 69.1 23.7 -24.4 79 79 A F H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.948 108.1 43.3 -62.0 -53.8 68.5 19.9 -24.1 80 80 A R H X S+ 0 0 61 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.902 111.1 56.8 -60.4 -41.4 67.0 20.0 -20.7 81 81 A R H X S+ 0 0 151 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.892 111.6 42.6 -56.6 -41.2 64.9 23.0 -21.7 82 82 A R H >X S+ 0 0 102 -4,-1.8 4,-1.7 1,-0.2 3,-1.5 0.899 105.0 62.0 -72.2 -41.4 63.5 21.0 -24.6 83 83 A L H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.836 100.0 60.3 -53.3 -31.4 63.0 17.9 -22.4 84 84 A E H 3X S+ 0 0 70 -4,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.790 99.3 51.7 -69.8 -30.7 60.7 20.1 -20.5 85 85 A D H < S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.863 114.1 52.7 -65.4 -35.0 53.3 13.8 -21.7 91 91 A N H >< S+ 0 0 55 -4,-2.0 3,-0.6 1,-0.2 -2,-0.2 0.833 95.9 62.8 -72.3 -34.1 52.1 15.1 -18.2 92 92 A S T 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.273 80.8 99.3 -74.1 13.6 48.9 16.8 -19.4 93 93 A S T < S- 0 0 11 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.991 100.9 -15.8 -61.0 -66.6 47.9 13.3 -20.4 94 94 A R < - 0 0 21 -3,-0.6 -1,-0.3 -4,-0.3 6,-0.1 -0.976 61.2-149.7-140.7 147.2 45.8 12.5 -17.4 95 95 A P S S+ 0 0 61 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.843 76.8 62.9 -90.8 -36.9 45.7 14.4 -14.1 96 96 A T S S+ 0 0 0 191,-0.1 2,-0.5 2,-0.0 153,-0.1 0.881 82.8 73.7 -63.5 -48.2 44.8 12.1 -11.2 97 97 A A >> - 0 0 10 1,-0.2 3,-1.0 2,-0.0 4,-0.6 -0.578 59.0-162.8 -75.9 119.2 47.6 9.5 -11.0 98 98 A I H 3> S+ 0 0 16 142,-1.5 4,-3.3 -2,-0.5 5,-0.2 0.788 78.0 81.1 -69.9 -26.7 50.8 11.0 -9.5 99 99 A N H 3> S+ 0 0 1 141,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.759 89.7 56.1 -49.8 -28.7 53.0 8.2 -10.8 100 100 A L H <> S+ 0 0 3 -3,-1.0 4,-2.7 2,-0.2 5,-0.3 0.979 112.9 37.2 -67.7 -57.4 53.0 9.9 -14.2 101 101 A S H X S+ 0 0 34 -4,-0.6 4,-3.3 1,-0.2 5,-0.2 0.889 116.7 55.6 -59.9 -41.6 54.3 13.2 -12.9 102 102 A W H X S+ 0 0 80 -4,-3.3 4,-2.5 2,-0.2 -1,-0.2 0.915 112.0 40.3 -59.5 -48.5 56.6 11.4 -10.4 103 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.921 118.2 47.3 -68.0 -45.2 58.3 9.3 -13.1 104 104 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.907 116.4 45.3 -61.9 -41.2 58.5 12.2 -15.5 105 105 A E H X S+ 0 0 95 -4,-3.3 4,-1.9 -5,-0.3 -2,-0.2 0.869 110.7 53.6 -70.9 -37.2 59.8 14.4 -12.7 106 106 A R H X S+ 0 0 55 -4,-2.5 4,-0.9 -5,-0.2 -2,-0.2 0.874 110.5 47.2 -66.6 -35.2 62.2 11.7 -11.6 107 107 A L H X S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 3,-0.2 0.869 108.2 54.7 -72.4 -37.6 63.6 11.4 -15.1 108 108 A S H >< S+ 0 0 22 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.908 107.4 51.1 -61.4 -41.0 64.0 15.2 -15.4 109 109 A H H >< S+ 0 0 129 -4,-1.9 3,-0.7 1,-0.3 4,-0.3 0.765 97.3 68.5 -67.1 -28.2 66.0 15.2 -12.2 110 110 A S H 3< S+ 0 0 22 -4,-0.9 -1,-0.3 -3,-0.2 -2,-0.2 0.704 106.6 39.4 -67.5 -18.5 68.3 12.5 -13.6 111 111 A V T X< S+ 0 0 1 -3,-1.1 3,-0.8 -4,-0.5 -1,-0.2 0.442 82.9 98.2-109.7 -1.5 69.7 15.0 -16.2 112 112 A E T < S+ 0 0 105 -3,-0.7 -1,-0.1 -4,-0.4 -2,-0.1 0.683 95.2 37.2 -63.6 -13.8 70.0 18.2 -14.2 113 113 A N T 3 S+ 0 0 141 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.488 86.3 134.4-110.3 -8.6 73.7 17.6 -13.6 114 114 A A < - 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0 0 4 -3,-1.3 2,-1.0 46,-0.1 -1,-0.2 -0.559 53.8-170.2 -87.3 73.9 -11.2 -22.7 -20.7 422 72 B E + 0 0 149 -2,-1.8 2,-0.3 2,-0.0 -2,-0.1 -0.538 25.2 144.3 -69.4 102.3 -14.1 -24.4 -22.4 423 73 B T - 0 0 33 -2,-1.0 44,-0.1 1,-0.1 -2,-0.0 -0.968 51.3-147.9-143.0 159.5 -15.8 -26.2 -19.5 424 74 B D S S+ 0 0 163 -2,-0.3 43,-0.3 43,-0.1 -1,-0.1 0.908 82.6 61.5 -85.9 -53.0 -19.2 -27.1 -18.2 425 75 B N > - 0 0 89 1,-0.1 4,-0.9 41,-0.1 41,-0.1 -0.408 63.5-150.3 -81.5 152.7 -18.6 -26.9 -14.4 426 76 B V H > S+ 0 0 17 2,-0.2 4,-2.4 39,-0.2 -1,-0.1 0.738 103.5 52.3 -89.1 -29.7 -17.5 -23.8 -12.5 427 77 B T H > S+ 0 0 95 2,-0.2 4,-2.6 1,-0.2 -1,-0.1 0.915 112.7 45.3 -70.0 -43.7 -15.6 -25.9 -9.9 428 78 B E H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.873 110.3 55.7 -64.5 -38.5 -13.8 -27.5 -12.9 429 79 B F H X S+ 0 0 0 -4,-0.9 4,-3.1 2,-0.2 -2,-0.2 0.942 109.6 45.1 -59.1 -48.0 -13.4 -24.0 -14.3 430 80 B R H X S+ 0 0 64 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.915 110.4 54.4 -60.9 -45.1 -11.7 -23.0 -11.0 431 81 B R H X S+ 0 0 128 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.939 113.7 41.8 -54.6 -49.4 -9.6 -26.2 -11.1 432 82 B R H >X S+ 0 0 78 -4,-2.9 4,-1.5 1,-0.2 3,-0.5 0.921 112.8 54.2 -64.6 -44.3 -8.4 -25.3 -14.5 433 83 B L H 3X S+ 0 0 6 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.851 103.6 55.9 -58.7 -38.0 -8.0 -21.6 -13.6 434 84 B E H 3X S+ 0 0 72 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.826 103.2 56.0 -65.4 -32.9 -5.7 -22.5 -10.7 435 85 B D H < S+ 0 0 66 -4,-1.6 3,-0.8 1,-0.2 -1,-0.2 0.949 112.0 38.6 -58.6 -56.7 2.0 -21.2 -14.0 440 90 B L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 4,-0.3 0.759 112.2 60.7 -67.9 -24.2 2.2 -17.4 -14.5 441 91 B N H 3< S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.739 94.3 63.1 -75.2 -22.5 3.0 -17.0 -10.8 442 92 B S T << S+ 0 0 79 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.295 79.7 90.2 -85.3 10.9 6.2 -19.0 -11.2 443 93 B S S < S- 0 0 13 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.992 102.3 -1.4 -69.4 -61.7 7.6 -16.5 -13.6 444 94 B R - 0 0 20 -4,-0.3 -1,-0.3 -3,-0.2 6,-0.1 -0.997 60.8-157.2-135.1 139.2 9.4 -14.2 -11.0 445 95 B P S S+ 0 0 65 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.967 75.6 57.3 -75.4 -64.2 9.4 -14.6 -7.2 446 96 B T S S+ 0 0 1 191,-0.1 2,-0.5 4,-0.1 153,-0.1 0.808 80.7 83.8 -43.8 -57.4 10.2 -11.2 -5.5 447 97 B A >> - 0 0 10 1,-0.2 3,-1.2 2,-0.1 4,-0.7 -0.385 58.4-164.8 -60.0 108.1 7.5 -8.8 -6.7 448 98 B I H >> S+ 0 0 20 142,-2.2 4,-2.7 -2,-0.5 3,-0.6 0.902 81.1 74.6 -60.1 -40.6 4.5 -9.5 -4.5 449 99 B N H 3> S+ 0 0 2 141,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.749 89.4 60.6 -43.8 -32.2 2.2 -7.6 -7.0 450 100 B L H <> S+ 0 0 2 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.983 112.0 34.4 -60.9 -59.8 2.4 -10.7 -9.2 451 101 B S H < S+ 0 0 18 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.920 107.9 47.4 -65.3 -43.1 -8.8 -16.0 -8.2 459 109 B H H >< S+ 0 0 117 -4,-2.0 3,-0.9 1,-0.2 4,-0.3 0.703 98.2 71.9 -72.1 -19.4 -10.9 -14.7 -5.3 460 110 B S T 3< S+ 0 0 24 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.583 104.9 38.1 -74.1 -9.2 -13.2 -12.9 -7.7 461 111 B V T X S+ 0 0 2 -3,-1.2 3,-0.7 -4,-0.3 -1,-0.2 0.280 83.0 104.4-121.7 8.6 -14.7 -16.2 -8.9 462 112 B E T < S+ 0 0 88 -3,-0.9 -2,-0.1 1,-0.3 -3,-0.1 0.777 95.1 31.4 -61.6 -28.6 -14.8 -18.1 -5.6 463 113 B N T 3 S+ 0 0 142 -4,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.348 91.2 136.4-109.2 2.8 -18.5 -17.6 -5.3 464 114 B A < - 0 0 6 -3,-0.7 3,-0.1 1,-0.1 -3,-0.1 -0.086 37.9-165.2 -49.1 150.3 -19.1 -17.6 -9.0 465 115 B I + 0 0 140 1,-0.2 2,-0.3 -39,-0.0 -39,-0.2 0.648 67.4 31.4-111.6 -27.9 -22.1 -19.6 -10.1 466 116 B S S > S- 0 0 49 1,-0.1 4,-1.4 -40,-0.1 -1,-0.2 -0.889 72.9-121.4-132.4 163.0 -21.4 -20.0 -13.8 467 117 B V H > S+ 0 0 19 -43,-0.3 4,-2.6 -2,-0.3 3,-0.3 0.950 113.1 48.8 -65.6 -51.2 -18.5 -20.2 -16.2 468 118 B N H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.857 109.5 53.1 -59.0 -36.3 -19.4 -17.1 -18.2 469 119 B E H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.862 110.3 49.4 -65.7 -34.9 -19.9 -15.1 -15.0 470 120 B A H X S+ 0 0 0 -4,-1.4 4,-3.1 -3,-0.3 5,-0.2 0.966 107.5 51.5 -68.0 -54.3 -16.4 -16.1 -14.0 471 121 B K H X S+ 0 0 32 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.942 113.4 46.3 -46.4 -56.1 -14.8 -15.2 -17.2 472 122 B T H X S+ 0 0 65 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.917 109.8 54.5 -54.0 -47.9 -16.4 -11.7 -17.0 473 123 B N H X S+ 0 0 42 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.953 107.6 50.1 -51.9 -52.5 -15.4 -11.4 -13.4 474 124 B L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.923 113.0 45.4 -53.5 -48.8 -11.8 -12.1 -14.3 475 125 B V H X S+ 0 0 11 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.942 115.6 45.8 -61.9 -48.7 -11.8 -9.5 -17.0 476 126 B H H X S+ 0 0 118 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.878 114.1 48.9 -60.9 -40.8 -13.5 -6.8 -14.9 477 127 B E H X S+ 0 0 45 -4,-3.2 4,-1.9 -5,-0.3 -1,-0.2 0.895 110.5 51.1 -69.0 -38.7 -11.3 -7.6 -11.9 478 128 B A H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.3 3,-0.5 0.987 113.3 44.3 -60.5 -57.0 -8.2 -7.3 -14.1 479 129 B I H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.3 5,-0.3 0.872 109.6 55.8 -54.8 -42.2 -9.2 -4.0 -15.5 480 130 B Q H X S+ 0 0 91 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.899 103.8 55.9 -60.1 -37.7 -10.2 -2.7 -12.1 481 131 B I H X S+ 0 0 2 -4,-1.9 4,-1.9 -3,-0.5 -1,-0.2 0.894 108.7 47.1 -60.4 -40.6 -6.7 -3.5 -10.9 482 132 B Q H X S+ 0 0 21 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.903 113.0 46.1 -67.7 -45.4 -5.2 -1.3 -13.7 483 133 B V H X S+ 0 0 77 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.860 113.0 52.0 -67.4 -33.9 -7.5 1.7 -13.1 484 134 B E H X S+ 0 0 84 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.887 106.2 53.0 -68.7 -38.9 -6.9 1.4 -9.4 485 135 B D H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.875 104.3 58.7 -63.4 -36.0 -3.1 1.4 -9.9 486 136 B E H X S+ 0 0 16 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.873 106.1 46.7 -60.7 -40.6 -3.6 4.6 -11.9 487 137 B E H X S+ 0 0 87 -4,-1.3 4,-2.5 2,-0.2 5,-0.2 0.951 111.9 49.3 -69.6 -47.3 -5.2 6.5 -9.0 488 138 B T H X S+ 0 0 18 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.937 110.1 51.0 -57.6 -46.8 -2.6 5.4 -6.5 489 139 B C H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.946 110.6 50.6 -54.1 -47.6 0.3 6.4 -8.8 490 140 B R H X S+ 0 0 86 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.881 115.3 41.7 -57.4 -42.2 -1.4 9.7 -9.1 491 141 B L H X S+ 0 0 46 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.806 112.1 55.0 -77.1 -29.9 -1.8 10.1 -5.3 492 142 B I H X S+ 0 0 0 -4,-3.3 4,-2.1 -5,-0.2 5,-0.2 0.891 106.4 52.2 -68.5 -39.7 1.8 8.7 -4.7 493 143 B G H X S+ 0 0 6 -4,-2.7 4,-1.6 -5,-0.3 -2,-0.2 0.935 114.1 43.7 -61.1 -45.5 3.1 11.4 -7.1 494 144 B Q H X S+ 0 0 100 -4,-1.5 4,-0.8 -5,-0.2 3,-0.3 0.984 112.7 48.3 -64.0 -61.4 1.3 14.1 -5.1 495 145 B N H >< S+ 0 0 29 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.858 113.1 49.4 -48.2 -44.7 2.1 12.9 -1.5 496 146 B A H >< S+ 0 0 0 -4,-2.1 3,-3.2 1,-0.2 4,-0.2 0.884 95.0 67.4 -66.7 -42.6 5.8 12.5 -2.3 497 147 B L H >< S+ 0 0 16 -4,-1.6 3,-1.9 -3,-0.3 -1,-0.2 0.757 86.1 75.3 -51.9 -22.2 6.4 15.9 -3.9 498 148 B Q T << S+ 0 0 141 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.764 87.1 62.7 -60.5 -23.9 5.8 17.3 -0.4 499 149 B L T < S+ 0 0 53 -3,-3.2 2,-0.4 -4,-0.2 -1,-0.3 0.524 95.2 72.5 -80.8 -5.8 9.2 16.0 0.5 500 150 B F < - 0 0 15 -3,-1.9 2,-0.2 -4,-0.2 3,-0.1 -0.905 60.6-156.5-120.4 141.9 11.1 18.2 -2.0 501 151 B K > - 0 0 150 -2,-0.4 3,-1.9 1,-0.1 34,-0.1 -0.650 49.3 -67.2-103.9 163.6 11.8 21.9 -2.1 502 152 B K T 3 S+ 0 0 164 1,-0.3 34,-0.2 -2,-0.2 -1,-0.1 -0.215 119.3 13.2 -53.2 132.7 12.6 23.9 -5.3 503 153 B G T 3 S+ 0 0 27 32,-3.6 -1,-0.3 1,-0.2 33,-0.1 0.459 84.8 159.2 82.1 1.0 15.8 23.0 -6.9 504 154 B D < - 0 0 13 -3,-1.9 34,-3.2 31,-0.3 2,-0.7 -0.229 38.2-135.4 -58.7 146.7 16.4 19.8 -4.9 505 155 B R E -p 538 0F 76 76,-0.3 78,-2.7 32,-0.2 79,-1.2 -0.931 26.2-166.6-107.4 109.9 18.8 17.2 -6.5 506 156 B I E -pq 539 584F 0 32,-2.6 34,-2.9 -2,-0.7 2,-0.3 -0.845 8.7-150.6-104.8 132.2 17.2 13.8 -6.1 507 157 B M E +pq 540 585F 0 77,-2.8 79,-2.2 -2,-0.4 2,-0.3 -0.738 21.6 170.8 -98.6 147.9 19.0 10.5 -6.6 508 158 B T E -p 541 0F 2 32,-2.2 34,-2.3 -2,-0.3 2,-0.3 -0.954 18.0-147.9-148.7 167.9 17.1 7.4 -7.8 509 159 B I + 0 0 3 77,-0.4 79,-0.3 -2,-0.3 3,-0.3 -0.957 58.9 1.2-140.0 157.2 17.7 3.8 -9.0 510 160 B C S S- 0 0 14 32,-0.4 2,-0.3 -2,-0.3 32,-0.1 -0.190 96.1 -69.7 61.1-158.2 16.1 1.4 -11.4 511 161 B N + 0 0 1 43,-0.1 2,-0.4 2,-0.1 -1,-0.2 -0.775 54.5 161.4-135.4 88.7 13.0 2.6 -13.3 512 162 B A + 0 0 16 -2,-0.3 10,-2.2 -3,-0.3 12,-1.7 -0.362 48.2 104.1-103.4 53.0 9.9 3.1 -11.1 513 163 B G S > S- 0 0 0 -2,-0.4 3,-0.9 8,-0.2 4,-0.4 -0.005 85.1 -44.6-110.6-147.1 8.1 5.3 -13.6 514 164 B S T 3 S+ 0 0 0 6,-0.4 -154,-0.5 1,-0.2 -155,-0.4 0.693 130.4 42.4 -63.6 -27.0 5.3 5.5 -16.2 515 165 B I T 3 S+ 0 0 0 1,-0.2 -114,-0.3 5,-0.1 -1,-0.2 0.505 106.3 62.1 -99.3 -3.5 6.1 2.2 -18.0 516 166 B A S < S+ 0 0 3 -3,-0.9 -111,-2.3 -116,-0.1 -110,-0.3 0.509 117.8 27.0 -92.9 -7.5 6.7 0.3 -14.7 517 167 B T S S- 0 0 0 -4,-0.4 -157,-0.4 -113,-0.2 -158,-0.3 -0.701 109.7 -79.3-135.9-174.3 3.1 1.0 -13.8 518 168 B S S S- 0 0 0 1,-0.3 -159,-0.7 -2,-0.2 -158,-0.4 0.942 101.1 -56.1 -57.3 -46.2 -0.1 1.7 -15.7 519 169 B R S S+ 0 0 54 -161,-0.2 2,-2.6 -160,-0.1 -1,-0.3 -0.926 118.8 46.6 177.9 171.5 1.2 5.3 -16.2 520 170 B Y S S- 0 0 39 -165,-2.8 -6,-0.4 -2,-0.3 2,-0.2 -0.349 87.8-142.6 75.5 -59.9 2.4 8.2 -14.1 521 171 B G - 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0 0 20 -4,-0.3 -1,-0.2 -3,-0.2 6,-0.1 -0.971 58.5-152.1-129.0 146.1 30.7 14.6 35.8 1145 95 D P S S+ 0 0 57 0, 0.0 6,-0.1 0, 0.0 -1,-0.1 0.852 76.3 60.0 -85.0 -43.1 30.7 15.2 39.6 1146 96 D T S S+ 0 0 1 191,-0.1 2,-0.6 2,-0.0 153,-0.1 0.880 82.8 76.6 -63.1 -47.9 29.8 12.0 41.5 1147 97 D A >> - 0 0 7 1,-0.2 3,-1.1 144,-0.1 4,-0.5 -0.574 62.6-160.4 -73.6 114.8 32.5 9.4 40.6 1148 98 D I H 3> S+ 0 0 13 142,-1.4 4,-3.2 -2,-0.6 5,-0.2 0.651 79.9 79.6 -68.7 -18.5 35.6 10.4 42.6 1149 99 D N H 3> S+ 0 0 1 141,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.811 86.4 60.7 -60.2 -30.7 37.8 8.4 40.3 1150 100 D L H <> S+ 0 0 2 -3,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.984 113.9 32.8 -59.8 -58.2 37.7 11.3 37.8 1151 101 D S H X S+ 0 0 26 -4,-0.5 4,-3.5 1,-0.2 5,-0.4 0.944 116.4 59.1 -62.0 -50.5 39.3 13.7 40.3 1152 102 D W H X S+ 0 0 63 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.864 109.0 42.7 -44.0 -50.9 41.4 11.0 41.9 1153 103 D A H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.807 115.9 48.1 -71.1 -33.1 43.1 10.2 38.6 1154 104 D L H X S+ 0 0 0 -4,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.911 112.8 47.7 -74.0 -42.4 43.6 13.8 37.6 1155 105 D E H X S+ 0 0 127 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.925 109.3 55.2 -62.5 -43.2 45.0 14.7 41.0 1156 106 D R H X S+ 0 0 47 -4,-2.1 4,-1.3 -5,-0.4 -1,-0.2 0.925 109.2 47.8 -57.3 -44.2 47.2 11.7 40.8 1157 107 D L H >X S+ 0 0 0 -4,-1.7 4,-0.7 1,-0.2 3,-0.6 0.940 109.5 49.3 -65.6 -46.4 48.6 13.0 37.5 1158 108 D S H 3< S+ 0 0 24 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.787 108.7 56.5 -65.8 -21.6 49.3 16.6 38.6 1159 109 D H H >< S+ 0 0 134 -4,-1.8 3,-1.1 -5,-0.2 4,-0.4 0.849 99.2 60.0 -73.6 -33.0 51.1 15.2 41.6 1160 110 D S H << S+ 0 0 23 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.683 110.3 40.5 -69.5 -18.5 53.4 13.2 39.3 1161 111 D V T >< S+ 0 0 0 -4,-0.7 3,-1.2 -3,-0.3 -1,-0.3 0.293 85.9 98.9-110.5 8.5 54.7 16.4 37.7 1162 112 D E T < S+ 0 0 102 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.830 94.6 32.9 -64.9 -29.5 54.8 18.5 40.9 1163 113 D N T 3 S+ 0 0 133 -4,-0.4 -1,-0.3 -3,-0.1 2,-0.2 0.048 87.8 127.8-116.3 26.7 58.5 17.8 41.1 1164 114 D A < - 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