==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 07-JAN-09 2ZXU . COMPND 2 MOLECULE: TRNA DELTA(2)-ISOPENTENYLPYROPHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SAKAI,M.YAO,S.CHIMNARONK,I.TANAKA . 611 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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-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 . 32 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 253 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 3 0 3 1 2 3 3 2 0 0 2 0 3 1 0 0 0 0 0 2 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 9 A L 0 0 174 0, 0.0 186,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 35.5 6.3 68.3 110.8 2 10 A P - 0 0 41 0, 0.0 186,-3.6 0, 0.0 2,-0.2 -0.296 360.0-109.1 -65.5 159.1 3.5 66.6 108.7 3 11 A K E +a 188 0A 84 184,-0.2 2,-0.3 85,-0.1 186,-0.2 -0.551 39.7 169.2 -91.2 157.7 4.4 63.3 107.1 4 12 A A E -a 189 0A 1 184,-1.8 186,-1.8 -2,-0.2 2,-0.4 -0.966 20.7-137.7-161.1 155.4 5.0 62.6 103.4 5 13 A I E -ab 190 95A 2 89,-2.9 91,-2.7 -2,-0.3 2,-0.5 -0.969 3.2-157.4-127.4 140.3 6.4 59.8 101.3 6 14 A F E -ab 191 96A 0 184,-2.2 186,-3.0 -2,-0.4 2,-0.6 -0.967 6.4-173.5-113.7 123.0 8.7 59.7 98.3 7 15 A L E +ab 192 97A 2 89,-3.2 91,-1.8 -2,-0.5 186,-0.2 -0.875 23.0 163.9-118.3 94.2 8.5 56.7 96.0 8 16 A M E +ab 193 98A 0 184,-2.6 186,-2.0 -2,-0.6 91,-0.2 -0.504 5.5 127.2-104.4 174.8 11.4 57.0 93.5 9 17 A G - 0 0 0 89,-0.5 186,-0.2 184,-0.3 3,-0.1 -0.831 52.7 -72.1 154.0 166.9 13.1 54.7 91.2 10 18 A P > - 0 0 0 0, 0.0 3,-0.9 0, 0.0 5,-0.3 -0.245 66.3 -65.7 -79.4-178.0 14.2 54.3 87.5 11 19 A T T 3 S+ 0 0 30 1,-0.2 195,-0.1 256,-0.2 260,-0.0 -0.325 117.7 15.8 -72.0 140.6 11.9 53.6 84.5 12 20 A A T 3 S+ 0 0 10 -3,-0.1 -1,-0.2 1,-0.1 193,-0.1 0.772 86.8 121.2 67.2 32.0 10.1 50.3 84.4 13 21 A S S < S- 0 0 1 -3,-0.9 -2,-0.1 181,-0.1 -1,-0.1 0.323 84.6-108.3-106.7 6.3 10.7 49.5 88.0 14 22 A G > + 0 0 24 3,-0.1 4,-2.2 -5,-0.1 5,-0.2 0.678 69.6 142.6 77.2 20.0 7.1 49.3 89.0 15 23 A K H > S+ 0 0 25 -5,-0.3 4,-1.9 1,-0.2 -4,-0.1 0.894 72.7 48.5 -57.7 -46.3 6.7 52.5 90.9 16 24 A T H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.937 110.0 51.6 -62.0 -47.7 3.2 53.3 89.7 17 25 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.949 111.7 47.6 -53.4 -51.1 2.0 49.8 90.4 18 26 A L H X S+ 0 0 9 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.828 106.9 57.8 -59.6 -37.1 3.3 50.0 94.0 19 27 A A H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.899 108.0 43.7 -65.4 -42.3 1.8 53.4 94.6 20 28 A I H X S+ 0 0 34 -4,-1.8 4,-0.8 -3,-0.3 -1,-0.2 0.868 110.9 54.3 -74.0 -33.3 -1.8 52.4 93.9 21 29 A E H >X S+ 0 0 73 -4,-1.7 4,-0.6 -5,-0.3 3,-0.6 0.876 108.7 51.5 -64.8 -33.3 -1.5 49.2 95.9 22 30 A L H >X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 3,-0.9 0.890 97.5 65.3 -67.5 -40.3 -0.3 51.5 98.7 23 31 A R H 3< S+ 0 0 64 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.779 94.8 64.8 -51.7 -27.8 -3.4 53.7 98.2 24 32 A K H << S+ 0 0 144 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.898 116.0 20.1 -66.2 -43.9 -5.3 50.6 99.3 25 33 A I H << S+ 0 0 108 -3,-0.9 -2,-0.2 -4,-0.6 -1,-0.2 0.464 118.2 66.1-107.7 -3.7 -4.0 50.4 102.9 26 34 A L S < S- 0 0 10 -4,-2.1 2,-2.4 2,-0.1 279,-0.0 -0.941 78.8-125.1-123.9 143.6 -2.7 54.0 103.4 27 35 A P + 0 0 39 0, 0.0 66,-3.1 0, 0.0 2,-0.3 -0.330 65.3 141.4 -77.5 58.9 -4.5 57.3 103.6 28 36 A V E -c 93 0A 0 -2,-2.4 2,-0.4 64,-0.2 -2,-0.1 -0.715 45.6-150.4-108.4 155.2 -2.3 58.7 100.9 29 37 A E E -c 94 0A 24 64,-2.2 66,-3.3 -2,-0.3 2,-0.3 -0.979 26.6-125.2-119.7 132.6 -2.9 61.0 97.9 30 38 A L E -cd 95 59A 0 28,-0.8 30,-1.9 -2,-0.4 2,-0.4 -0.629 23.1-174.4 -86.4 134.8 -0.7 60.5 94.8 31 39 A I E -cd 96 60A 0 64,-2.1 66,-2.7 -2,-0.3 2,-0.3 -0.993 23.1-130.8-127.5 122.3 1.4 63.3 93.3 32 40 A S E -c 97 0A 4 28,-2.6 2,-0.5 -2,-0.4 66,-0.2 -0.541 15.8-169.1 -76.1 132.9 3.2 62.6 90.0 33 41 A V E +c 98 0A 0 64,-3.3 67,-1.4 -2,-0.3 66,-0.6 -0.752 44.2 119.9-120.0 77.8 6.9 63.6 89.9 34 42 A D > - 0 0 34 -2,-0.5 4,-0.5 27,-0.3 3,-0.1 -0.908 55.2-150.1-149.3 116.2 7.6 63.2 86.2 35 43 A S T 4 S+ 0 0 47 -2,-0.3 36,-0.1 1,-0.2 -1,-0.1 0.691 101.8 39.7 -58.4 -19.1 8.8 65.9 83.8 36 44 A A T >4 S+ 0 0 12 2,-0.1 3,-1.8 1,-0.1 -1,-0.2 0.772 99.6 68.3-101.5 -31.4 7.0 64.1 80.9 37 45 A L T 34 S+ 0 0 14 1,-0.3 26,-1.7 -3,-0.1 -2,-0.2 0.532 87.2 74.8 -66.7 -3.8 3.7 63.0 82.5 38 46 A I T 3< S+ 0 0 4 -4,-0.5 27,-1.8 24,-0.3 26,-1.3 0.719 77.2 96.7 -79.9 -21.6 2.8 66.6 82.7 39 47 A Y B X S-f 65 0B 3 -3,-1.8 3,-1.2 24,-0.2 2,-0.4 -0.553 70.6-136.8 -81.1 128.7 2.1 66.8 79.0 40 48 A K T 3 S+ 0 0 104 25,-2.6 3,-0.1 -2,-0.3 -2,-0.1 -0.632 93.5 26.5 -77.8 130.2 -1.5 66.4 77.6 41 49 A G T 3 S+ 0 0 40 -2,-0.4 2,-0.6 1,-0.1 -1,-0.2 0.406 96.9 97.5 98.0 -5.8 -1.4 64.1 74.6 42 50 A M < + 0 0 0 -3,-1.2 21,-0.1 1,-0.1 -3,-0.1 -0.861 42.6 127.3-117.1 90.7 1.7 62.2 75.7 43 51 A D > + 0 0 68 -2,-0.6 5,-2.3 -3,-0.1 4,-0.2 0.782 64.9 38.9-115.2 -45.2 0.2 59.1 77.3 44 52 A I T > 5S+ 0 0 41 3,-0.2 3,-0.9 1,-0.2 174,-0.1 0.912 114.9 47.8 -81.8 -39.7 1.6 55.9 75.9 45 53 A G T 3 5S+ 0 0 13 1,-0.2 -1,-0.2 173,-0.1 198,-0.1 0.719 113.7 50.1 -71.3 -18.4 5.3 56.8 75.4 46 54 A T T 3 5S- 0 0 19 -10,-0.1 -1,-0.2 196,-0.1 -2,-0.2 0.491 109.0-124.5 -96.2 -3.8 5.4 58.3 78.9 47 55 A A T < 5 - 0 0 28 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.870 43.4-176.9 62.3 38.0 3.9 55.1 80.4 48 56 A K < - 0 0 21 -5,-2.3 -1,-0.2 1,-0.1 -5,-0.1 -0.332 34.4 -96.4 -65.6 144.3 1.2 57.3 81.9 49 57 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.351 44.2-117.2 -62.2 144.6 -1.4 55.5 84.1 50 58 A N > - 0 0 84 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.222 30.0 -96.3 -75.9 173.9 -4.5 54.5 82.2 51 59 A A H > S+ 0 0 72 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.822 123.2 53.6 -60.9 -34.1 -8.0 55.9 83.1 52 60 A E H > S+ 0 0 150 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 111.2 44.3 -67.2 -49.0 -8.9 52.9 85.1 53 61 A E H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.941 113.3 51.9 -58.9 -46.1 -5.8 53.1 87.3 54 62 A L H < S+ 0 0 44 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 105.4 56.4 -59.4 -33.3 -6.3 56.8 87.6 55 63 A L H < S+ 0 0 143 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.934 112.0 41.8 -64.3 -45.9 -9.8 56.1 88.7 56 64 A A H < S+ 0 0 55 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.991 133.7 17.3 -63.5 -60.2 -8.5 53.9 91.5 57 65 A A S < S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.881 80.9-145.6-120.6 100.3 -5.7 56.2 92.5 58 66 A P - 0 0 56 0, 0.0 -28,-0.8 0, 0.0 2,-0.4 -0.339 12.4-148.4 -63.1 141.5 -5.9 59.9 91.3 59 67 A H E -d 30 0A 27 -30,-0.1 3,-0.4 -28,-0.1 -28,-0.2 -0.941 4.1-143.0-113.3 133.7 -2.5 61.5 90.4 60 68 A R E S+d 31 0A 51 -30,-1.9 -28,-2.6 -2,-0.4 4,-0.1 -0.628 81.0 32.9 -90.1 155.8 -1.9 65.2 90.9 61 69 A L S S+ 0 0 12 1,-0.3 2,-0.4 -2,-0.2 -27,-0.3 0.905 83.0 129.8 66.8 45.7 0.2 67.0 88.3 62 70 A L S S+ 0 0 20 -3,-0.4 -1,-0.3 1,-0.2 -24,-0.3 -0.965 73.3 4.3-125.9 143.5 -0.7 65.0 85.3 63 71 A D S S+ 0 0 64 -26,-1.7 -24,-0.2 -2,-0.4 -1,-0.2 0.900 84.7 133.9 49.3 47.8 -1.8 66.6 82.0 64 72 A I + 0 0 51 -26,-1.3 2,-0.3 -3,-0.2 -25,-0.2 0.251 61.1 44.7-108.6 9.5 -1.2 70.1 83.4 65 73 A R B S-f 39 0B 52 -27,-1.8 -25,-2.6 6,-0.0 -1,-0.1 -0.995 73.9-121.4-156.1 149.6 0.7 71.4 80.3 66 74 A D > - 0 0 43 -2,-0.3 3,-3.4 -27,-0.2 171,-0.1 -0.682 38.8-113.8 -86.0 138.0 0.6 71.5 76.5 67 75 A P T 3 S+ 0 0 1 0, 0.0 170,-0.4 0, 0.0 171,-0.3 0.623 115.4 63.3 -48.6 -11.4 3.7 69.9 74.9 68 76 A S T 3 S+ 0 0 48 1,-0.1 2,-0.6 169,-0.1 -29,-0.0 0.551 91.3 74.1 -91.6 -9.7 4.6 73.4 73.6 69 77 A Q S < S- 0 0 87 -3,-3.4 -1,-0.1 166,-0.1 166,-0.0 -0.907 77.2-136.1-114.0 116.0 5.0 74.9 77.1 70 78 A A - 0 0 58 -2,-0.6 2,-0.2 1,-0.1 -4,-0.1 -0.173 14.8-157.9 -62.7 154.5 8.1 74.0 79.2 71 79 A Y - 0 0 19 -36,-0.1 2,-0.3 -6,-0.1 3,-0.1 -0.517 9.4-155.2-118.3-173.6 7.9 73.1 82.8 72 80 A S > - 0 0 37 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.986 34.0-108.1-162.5 163.6 10.7 73.4 85.4 73 81 A A H > S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 121.8 53.9 -64.5 -33.8 12.0 72.0 88.7 74 82 A A H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 108.6 46.2 -66.2 -45.7 11.0 75.4 90.2 75 83 A D H > S+ 0 0 45 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.888 112.7 51.5 -64.6 -38.5 7.4 75.2 88.9 76 84 A F H X S+ 0 0 2 -4,-2.4 4,-4.4 2,-0.2 5,-0.3 0.963 107.6 51.5 -62.5 -51.9 7.1 71.6 90.1 77 85 A R H X S+ 0 0 62 -4,-2.5 4,-3.4 2,-0.2 5,-0.2 0.937 113.5 45.7 -50.2 -50.3 8.3 72.5 93.6 78 86 A R H X S+ 0 0 117 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.989 117.5 41.8 -57.0 -63.4 5.7 75.3 93.7 79 87 A D H X S+ 0 0 35 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.903 117.4 49.3 -51.2 -44.6 2.9 73.1 92.4 80 88 A A H X S+ 0 0 0 -4,-4.4 4,-2.4 -5,-0.2 -1,-0.2 0.933 109.4 50.4 -61.7 -48.7 4.0 70.2 94.5 81 89 A L H X S+ 0 0 44 -4,-3.4 4,-2.0 -5,-0.3 -1,-0.2 0.930 113.2 47.2 -56.0 -46.6 4.2 72.3 97.7 82 90 A A H X S+ 0 0 63 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.909 110.8 50.3 -63.0 -44.7 0.7 73.6 97.1 83 91 A E H X S+ 0 0 53 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.867 109.2 52.7 -61.8 -37.0 -0.7 70.1 96.3 84 92 A M H X S+ 0 0 0 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.911 105.8 53.2 -66.0 -41.7 0.8 68.8 99.5 85 93 A A H X S+ 0 0 52 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.966 110.6 47.6 -55.6 -53.8 -0.8 71.5 101.6 86 94 A D H X S+ 0 0 91 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.911 114.6 46.8 -53.9 -46.6 -4.2 70.6 100.2 87 95 A I H ><>S+ 0 0 0 -4,-2.3 5,-1.7 1,-0.2 3,-0.8 0.942 113.1 45.1 -65.3 -49.1 -3.6 66.9 100.8 88 96 A T H ><5S+ 0 0 42 -4,-3.4 3,-1.7 1,-0.3 -1,-0.2 0.832 107.1 62.3 -65.8 -26.2 -2.3 67.2 104.4 89 97 A A H 3<5S+ 0 0 86 -4,-2.3 -1,-0.3 -5,-0.4 -2,-0.2 0.847 100.2 54.1 -64.1 -32.2 -5.2 69.6 105.0 90 98 A A T <<5S- 0 0 68 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.328 121.4-110.4 -83.8 7.0 -7.5 66.7 104.2 91 99 A G T < 5S+ 0 0 66 -3,-1.7 2,-0.2 1,-0.3 -3,-0.2 0.700 83.1 114.1 72.8 17.9 -5.8 64.6 106.8 92 100 A R < - 0 0 73 -5,-1.7 -1,-0.3 -66,-0.0 -64,-0.2 -0.664 67.1-108.9-113.7 171.9 -4.2 62.3 104.3 93 101 A I E - c 0 28A 4 -66,-3.1 -64,-2.2 -2,-0.2 2,-0.3 -0.895 24.0-122.7-110.6 131.2 -0.5 61.8 103.4 94 102 A P E - c 0 29A 0 0, 0.0 -89,-2.9 0, 0.0 2,-0.7 -0.517 21.3-166.0 -69.3 122.9 1.2 63.0 100.1 95 103 A L E -bc 5 30A 0 -66,-3.3 -64,-2.1 -2,-0.3 2,-0.6 -0.884 7.2-159.6-114.6 97.6 2.8 60.1 98.2 96 104 A L E -bc 6 31A 0 -91,-2.7 -89,-3.2 -2,-0.7 2,-0.4 -0.687 14.5-174.8 -79.2 117.6 5.1 61.7 95.6 97 105 A V E +bc 7 32A 9 -66,-2.7 -64,-3.3 -2,-0.6 2,-0.3 -0.951 23.4 86.5-120.2 136.8 5.9 59.1 92.9 98 106 A G E -bc 8 33A 6 -91,-1.8 -89,-0.5 -2,-0.4 -64,-0.2 -0.972 65.6-106.6 165.0-179.5 8.2 59.4 89.9 99 107 A G S S+ 0 0 9 -66,-0.6 2,-1.1 -2,-0.3 -65,-0.1 0.159 78.5 106.1-122.0 14.8 11.6 59.0 88.3 100 108 A T >> + 0 0 26 -67,-1.4 4,-1.4 1,-0.2 3,-0.7 -0.733 42.9 177.3 -99.9 86.8 12.5 62.7 88.0 101 109 A M H 3> S+ 0 0 3 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.829 72.9 61.4 -57.8 -41.8 15.1 63.0 90.7 102 110 A L H 3> S+ 0 0 86 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.869 105.8 50.1 -57.9 -34.4 16.0 66.7 90.2 103 111 A Y H <> S+ 0 0 23 -3,-0.7 4,-2.6 2,-0.2 -1,-0.2 0.927 109.0 49.7 -68.4 -45.8 12.4 67.6 91.0 104 112 A F H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 -2,-0.2 0.930 114.6 47.6 -55.5 -46.2 12.4 65.5 94.2 105 113 A K H X>S+ 0 0 72 -4,-2.9 4,-3.0 2,-0.2 5,-0.8 0.973 109.8 49.0 -60.3 -58.5 15.6 67.3 95.1 106 114 A A H X5S+ 0 0 1 -4,-3.1 4,-1.2 1,-0.2 -1,-0.2 0.890 116.3 46.1 -49.8 -40.7 14.4 70.8 94.3 107 115 A L H <5S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.938 118.0 41.1 -67.7 -47.9 11.3 70.0 96.4 108 116 A L H <5S+ 0 0 39 -4,-3.1 77,-2.7 -5,-0.2 -2,-0.2 0.955 131.8 21.2 -64.9 -56.5 13.3 68.4 99.3 109 117 A E H <5S- 0 0 98 -4,-3.0 73,-0.3 1,-0.3 -3,-0.2 0.604 103.1-135.3 -91.9 -15.9 16.2 70.9 99.5 110 118 A G << - 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0 0 20 -4,-2.3 4,-0.9 -5,-0.4 3,-0.5 0.021 38.1 -72.4 82.9 164.2 31.0 79.2 69.4 134 142 A W H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.632 125.0 71.4 -70.8 -12.0 30.3 78.3 73.0 135 143 A E H > S+ 0 0 123 -3,-0.2 4,-2.6 2,-0.2 5,-0.3 0.939 93.6 52.8 -68.1 -47.4 34.0 78.9 73.9 136 144 A S H X S+ 0 0 30 -4,-0.7 4,-1.0 -3,-0.5 -1,-0.2 0.896 112.6 45.9 -54.6 -40.8 33.6 82.6 73.5 137 145 A L H X S+ 0 0 0 -4,-0.9 4,-2.4 2,-0.2 3,-0.4 0.917 111.1 51.0 -69.5 -44.0 30.7 82.5 75.9 138 146 A H H X S+ 0 0 19 -4,-2.4 4,-1.5 1,-0.3 -2,-0.2 0.842 108.2 53.3 -63.0 -32.3 32.5 80.2 78.4 139 147 A R H X S+ 0 0 139 -4,-2.6 4,-0.7 1,-0.2 -1,-0.3 0.800 109.7 49.4 -72.5 -25.0 35.5 82.6 78.3 140 148 A Q H >X S+ 0 0 56 -4,-1.0 4,-1.8 -3,-0.4 3,-0.5 0.873 107.8 51.1 -79.0 -37.6 33.1 85.4 79.2 141 149 A L H 3X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 8,-0.3 0.868 105.1 61.6 -64.3 -31.6 31.5 83.5 82.1 142 150 A Q H 3< S+ 0 0 76 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.811 104.6 46.4 -62.0 -34.9 35.1 83.0 83.2 143 151 A E H << S+ 0 0 129 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.912 122.4 31.2 -77.0 -45.9 35.6 86.7 83.5 144 152 A V H < S+ 0 0 48 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.830 135.9 19.5 -83.8 -33.1 32.4 87.6 85.4 145 153 A D X + 0 0 2 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 -0.678 60.6 168.6-141.6 83.4 32.0 84.3 87.4 146 154 A P H > S+ 0 0 82 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.838 77.4 59.3 -67.3 -33.7 35.1 82.1 87.7 147 155 A V H > S+ 0 0 94 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.972 112.1 40.7 -58.6 -49.5 33.7 79.7 90.4 148 156 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 3,-0.3 0.872 111.1 58.0 -63.7 -39.7 30.8 78.8 88.0 149 157 A A H < S+ 0 0 6 -4,-1.9 -1,-0.2 -8,-0.3 -2,-0.2 0.789 104.3 51.8 -61.4 -31.2 33.2 78.7 85.0 150 158 A A H < S+ 0 0 90 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.804 115.2 41.6 -76.5 -30.5 35.4 76.1 86.7 151 159 A R H < S+ 0 0 149 -4,-1.1 2,-0.5 -3,-0.3 -2,-0.2 0.896 105.1 68.5 -83.2 -44.7 32.4 73.8 87.4 152 160 A I S < S- 0 0 8 -4,-3.1 -1,-0.1 -5,-0.1 0, 0.0 -0.677 83.1-131.4 -84.0 121.5 30.6 74.2 84.1 153 161 A H > - 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0 0 41 -3,-1.0 -3,-0.2 -4,-0.2 -2,-0.1 0.889 43.6-176.7 60.5 40.0 10.7 62.8 44.1 357 56 B K < - 0 0 22 -5,-2.4 -1,-0.2 1,-0.1 -5,-0.1 -0.364 34.2 -95.3 -67.3 145.2 10.8 65.4 41.3 358 57 B P - 0 0 8 0, 0.0 -1,-0.1 0, 0.0 10,-0.1 -0.363 44.5-117.2 -61.7 143.2 13.9 67.7 41.3 359 58 B N > - 0 0 69 1,-0.1 4,-2.8 -3,-0.1 5,-0.2 -0.227 29.7 -97.8 -74.6 171.6 13.3 71.0 43.2 360 59 B A H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.824 123.6 54.5 -60.2 -33.5 13.4 74.3 41.4 361 60 B E H > S+ 0 0 158 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.965 111.2 43.3 -64.0 -53.8 17.0 74.9 42.6 362 61 B E H > S+ 0 0 64 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.939 113.3 52.5 -56.3 -50.0 18.2 71.6 41.2 363 62 B L H < S+ 0 0 42 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 105.5 55.9 -56.5 -33.8 16.3 72.2 38.0 364 63 B L H < S+ 0 0 141 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.933 111.8 42.5 -65.1 -45.4 18.0 75.6 37.8 365 64 B A H < S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.990 133.6 16.6 -63.0 -60.7 21.4 74.0 37.9 366 65 B A S < S- 0 0 0 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.1 -0.883 80.8-145.0-121.7 101.4 20.5 71.2 35.5 367 66 B P - 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0 0 69 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.420 35.5-107.3 -83.5 165.9 -6.3 54.5 57.9 565 264 B Y H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.929 119.7 49.2 -59.6 -50.7 -3.2 56.7 57.9 566 265 B D H > S+ 0 0 60 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.864 111.7 51.7 -58.9 -34.8 -0.9 54.1 59.4 567 266 B E H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.875 108.1 50.6 -69.6 -38.5 -2.2 51.6 56.8 568 267 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.868 108.9 50.9 -70.1 -34.3 -1.5 53.9 53.9 569 268 B V H X S+ 0 0 10 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.862 111.0 50.3 -69.1 -34.5 2.1 54.5 55.0 570 269 B Y H X S+ 0 0 146 -4,-1.5 4,-2.4 -5,-0.2 -2,-0.2 0.938 114.2 43.0 -68.1 -47.5 2.6 50.8 55.3 571 270 B R H X S+ 0 0 111 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.836 111.4 53.7 -70.2 -33.4 1.2 50.1 51.8 572 271 B G H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.6 45.8 -66.3 -45.2 3.0 53.0 50.1 573 272 B V H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.971 115.4 45.8 -61.1 -53.9 6.3 51.8 51.5 574 273 B C H X S+ 0 0 14 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.910 111.7 53.2 -55.6 -43.7 5.7 48.2 50.5 575 274 B A H X S+ 0 0 17 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.862 108.8 49.4 -60.8 -37.0 4.4 49.4 47.1 576 275 B T H X S+ 0 0 11 -4,-2.0 4,-2.3 -3,-0.3 -1,-0.2 0.878 110.9 49.5 -71.5 -36.3 7.6 51.3 46.5 577 276 B R H X S+ 0 0 77 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 109.8 50.0 -68.4 -43.7 9.8 48.4 47.5 578 277 B Q H X S+ 0 0 106 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.874 109.8 53.3 -61.1 -34.3 7.9 46.0 45.1 579 278 B L H X S+ 0 0 35 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.948 109.0 48.6 -61.8 -50.8 8.5 48.7 42.5 580 279 B A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.900 106.6 56.6 -56.4 -45.5 12.2 48.7 43.2 581 280 B K H X S+ 0 0 106 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.928 109.7 44.9 -54.0 -48.8 12.3 44.9 43.0 582 281 B R H X S+ 0 0 134 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.840 108.9 55.8 -66.5 -35.6 10.9 44.9 39.5 583 282 B Q H X S+ 0 0 23 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.886 108.5 48.7 -64.4 -36.9 13.2 47.7 38.4 584 283 B I H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.860 106.2 57.3 -69.7 -33.9 16.1 45.6 39.4 585 284 B T H < S+ 0 0 83 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 107.0 49.8 -61.7 -40.5 14.6 42.7 37.5 586 285 B W H < S+ 0 0 102 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.981 111.8 45.7 -60.5 -59.3 14.7 44.9 34.4 587 286 B L H >< S+ 0 0 0 -4,-2.2 3,-2.1 2,-0.1 2,-0.3 0.790 92.0 91.4 -58.3 -31.5 18.3 45.9 34.8 588 287 B R T 3< S+ 0 0 154 -4,-2.2 3,-0.1 1,-0.3 0, 0.0 -0.531 104.5 10.5 -68.2 126.2 19.5 42.4 35.6 589 288 B G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -2,-0.3 -1,-0.3 0.367 90.3 144.7 86.5 -7.7 20.4 40.9 32.2 590 289 B W X - 0 0 33 -3,-2.1 3,-0.9 -4,-0.1 -1,-0.3 -0.536 54.8-117.8 -64.8 126.0 20.1 44.3 30.6 591 290 B E T 3 S+ 0 0 162 -2,-0.3 -1,-0.1 1,-0.2 -91,-0.0 -0.456 84.8 9.1 -73.7 138.7 22.9 44.2 28.0 592 291 B G T 3 S+ 0 0 37 1,-0.2 -92,-0.5 -2,-0.2 2,-0.4 0.556 85.0 152.7 74.2 12.3 25.8 46.6 28.1 593 292 B V E < -k 500 0C 24 -3,-0.9 2,-0.5 -6,-0.1 -92,-0.2 -0.593 34.5-151.7 -82.6 130.0 25.0 48.0 31.5 594 293 B H E -k 501 0C 76 -94,-2.7 -92,-2.6 -2,-0.4 2,-0.3 -0.875 19.7-135.6 -97.4 124.2 27.8 49.4 33.7 595 294 B W E -k 502 0C 110 -2,-0.5 2,-0.3 -94,-0.2 -92,-0.2 -0.645 22.3-175.9 -88.6 139.8 27.0 49.1 37.4 596 295 B L E -k 503 0C 10 -94,-2.6 -92,-1.8 -2,-0.3 2,-0.4 -0.884 25.1-116.3-126.7 156.2 27.6 51.9 39.8 597 296 B D E > -k 504 0C 48 -2,-0.3 3,-1.1 3,-0.3 7,-0.2 -0.807 10.2-148.4 -97.9 134.5 27.2 52.1 43.6 598 297 B S T 3 S+ 0 0 7 -94,-1.5 -1,-0.1 -2,-0.4 6,-0.1 0.934 99.6 47.3 -63.9 -47.8 24.7 54.5 45.1 599 298 B E T 3 S+ 0 0 87 1,-0.3 -1,-0.2 -95,-0.2 3,-0.1 0.217 104.0 64.9 -82.2 17.4 26.7 55.2 48.3 600 299 B K <> + 0 0 90 -3,-1.1 4,-2.1 1,-0.1 -3,-0.3 -0.455 61.8 162.5-133.4 55.4 29.8 55.8 46.3 601 300 B P H > S+ 0 0 76 0, 0.0 4,-0.5 0, 0.0 -2,-0.1 0.542 71.9 50.1 -53.3 -14.1 28.6 58.9 44.4 602 301 B E H > S+ 0 0 88 2,-0.2 4,-2.9 3,-0.1 3,-0.3 0.894 109.9 42.8 -94.3 -54.5 32.2 59.9 43.5 603 302 B Q H > S+ 0 0 118 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.841 111.6 61.0 -60.0 -32.4 33.6 56.7 42.0 604 303 B A H X S+ 0 0 3 -4,-2.1 4,-1.4 -7,-0.2 -1,-0.2 0.915 109.3 40.1 -59.6 -45.5 30.2 56.5 40.2 605 304 B R H X S+ 0 0 81 -4,-0.5 4,-2.1 -3,-0.3 -2,-0.2 0.944 116.4 48.4 -69.2 -50.7 30.9 59.8 38.5 606 305 B D H X S+ 0 0 78 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.874 110.6 52.7 -58.8 -38.1 34.6 59.0 37.8 607 306 B E H < S+ 0 0 86 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.883 108.2 50.6 -66.0 -36.5 33.6 55.6 36.4 608 307 B V H >< S+ 0 0 12 -4,-1.4 3,-1.0 1,-0.2 -2,-0.2 0.850 107.8 53.8 -68.5 -34.4 31.1 57.3 34.1 609 308 B L H >< S+ 0 0 57 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.847 100.9 60.0 -68.2 -33.8 33.8 59.7 32.9 610 309 B Q T 3< S+ 0 0 151 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.1 0.046 105.7 47.0 -85.3 28.5 36.1 56.8 32.1 611 310 B V T < 0 0 29 -3,-1.0 -1,-0.3 -112,-0.0 -2,-0.2 0.172 360.0 360.0-138.4 -6.7 33.5 55.5 29.6 612 311 B V < 0 0 114 -3,-1.2 -3,-0.1 -4,-0.2 -2,-0.1 0.594 360.0 360.0 8.7 360.0 33.3 59.1 28.3