==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SITE-SPECIFIC RECOMBINASE 02-DEC-94 1HJR . COMPND 2 MOLECULE: HOLLIDAY JUNCTION RESOLVASE (RUVC); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ARIYOSHI,D.G.VASSYLYEV,K.MORIKAWA . 632 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 471 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 11.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 49 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 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 1 3 1 0 3 1 1 1 1 1 1 1 4 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 3 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 . 0 0 0 2 1 3 0 0 1 2 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 3 1 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 1 A A 0 0 46 0, 0.0 19,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 -43.4 18.4 5.2 10.6 2 2 A I E -A 19 0A 15 17,-0.2 59,-4.5 2,-0.0 60,-1.9 -0.963 360.0-173.8-136.2 118.3 14.8 4.6 11.8 3 3 A I E -Ab 18 62A 1 15,-1.7 15,-1.9 -2,-0.4 2,-0.4 -0.802 6.5-167.8-111.8 143.4 11.8 4.4 9.4 4 4 A L E -Ab 17 63A 0 58,-0.6 60,-2.9 -2,-0.3 2,-0.4 -0.995 3.8-168.4-132.6 119.8 8.1 4.1 10.3 5 5 A G E -Ab 16 64A 0 11,-2.0 11,-1.2 -2,-0.4 2,-0.3 -0.921 12.4-157.7-107.3 136.2 5.5 3.2 7.6 6 6 A I E -Ab 15 65A 3 58,-1.5 60,-0.6 -2,-0.4 9,-0.2 -0.929 19.9-162.2-123.9 151.8 1.8 3.7 8.5 7 7 A D E -A 14 0A 62 7,-2.9 7,-1.0 -2,-0.3 5,-0.1 -0.651 22.2-159.5-122.6 68.2 -1.5 2.2 7.2 8 8 A P + 0 0 11 0, 0.0 2,-0.4 0, 0.0 5,-0.2 -0.191 16.7 171.0 -53.4 127.9 -4.3 4.6 8.5 9 9 A G - 0 0 16 1,-0.1 26,-0.2 74,-0.1 71,-0.1 -0.976 42.1-127.1-145.8 134.6 -7.7 3.1 8.6 10 10 A S S S+ 0 0 31 -2,-0.4 -1,-0.1 1,-0.2 3,-0.1 0.845 115.7 24.2 -47.3 -46.7 -10.9 4.6 10.1 11 11 A R S S+ 0 0 202 1,-0.2 24,-1.1 -3,-0.1 2,-0.3 0.869 135.3 16.7 -89.7 -44.5 -11.3 1.3 12.0 12 12 A V E - C 0 34A 65 22,-0.2 2,-0.4 23,-0.1 22,-0.2 -0.949 56.2-165.2-132.3 153.8 -7.6 -0.0 12.2 13 13 A T E - C 0 33A 0 20,-2.2 20,-2.1 -2,-0.3 2,-0.2 -0.879 8.9-159.0-140.1 109.1 -4.1 1.3 11.6 14 14 A G E -AC 7 32A 6 -7,-1.0 -7,-2.9 -2,-0.4 2,-0.3 -0.547 9.1-172.0 -89.1 152.0 -0.9 -0.8 11.1 15 15 A Y E -AC 6 31A 34 16,-1.9 16,-1.1 -9,-0.2 2,-0.4 -0.899 7.8-168.1-133.7 160.9 2.6 0.4 11.7 16 16 A G E -AC 5 30A 0 -11,-1.2 -11,-2.0 -2,-0.3 2,-0.4 -0.904 1.8-167.5-157.6 121.5 6.0 -1.0 11.1 17 17 A V E +AC 4 29A 0 12,-2.7 11,-1.1 -2,-0.4 12,-1.1 -0.882 12.8 172.5-113.6 142.7 9.3 0.2 12.3 18 18 A I E -AC 3 27A 0 -15,-1.9 -15,-1.7 -2,-0.4 2,-0.4 -0.919 25.8-132.3-139.7 162.3 12.5 -1.1 10.9 19 19 A R E -AC 2 26A 31 7,-3.9 7,-3.3 -2,-0.3 2,-0.6 -0.974 11.5-160.2-120.5 125.8 16.1 0.0 11.4 20 20 A Q E - C 0 25A 45 -19,-1.5 2,-0.6 -2,-0.4 5,-0.3 -0.978 12.6-179.9-103.2 109.1 18.3 0.5 8.4 21 21 A V E > - C 0 24A 19 3,-4.6 2,-1.8 -2,-0.6 3,-1.5 -0.887 69.4 -48.5-121.8 99.0 22.0 0.3 9.5 22 22 A G T 3 S- 0 0 49 -2,-0.6 249,-0.1 1,-0.3 250,-0.1 -0.522 123.1 -33.5 84.7 -70.7 24.3 0.8 6.5 23 23 A R T 3 S+ 0 0 189 -2,-1.8 2,-0.5 244,-0.2 -1,-0.3 -0.075 115.6 115.9-162.9 5.2 22.6 -1.7 4.3 24 24 A Q E < -C 21 0A 25 -3,-1.5 -3,-4.6 246,-0.1 2,-0.4 -0.791 55.8-151.7 -88.6 124.0 21.7 -3.9 7.2 25 25 A L E -C 20 0A 47 -2,-0.5 2,-0.4 -5,-0.3 -5,-0.2 -0.864 16.4-177.6-102.2 134.0 17.9 -4.1 7.7 26 26 A S E -C 19 0A 29 -7,-3.3 -7,-3.9 -2,-0.4 2,-0.5 -0.992 22.5-133.9-144.0 136.4 16.5 -4.7 11.1 27 27 A Y E +C 18 0A 46 -2,-0.4 -9,-0.2 -9,-0.3 3,-0.1 -0.788 22.2 171.6 -83.6 118.5 13.0 -5.1 12.6 28 28 A L E - 0 0 44 -11,-1.1 2,-0.3 -2,-0.5 -1,-0.2 0.814 60.0 -58.8 -92.5 -48.2 12.1 -3.2 15.8 29 29 A G E -C 17 0A 9 -12,-1.1 -12,-2.7 2,-0.0 -1,-0.3 -0.968 42.3-158.4 175.3 171.3 8.4 -3.9 15.9 30 30 A S E +C 16 0A 27 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.974 21.1 135.0-160.3 166.6 4.9 -3.8 14.4 31 31 A G E -C 15 0A 5 -16,-1.1 -16,-1.9 -2,-0.3 2,-0.3 -0.948 43.3 -95.3 174.7-166.0 1.3 -4.0 15.4 32 32 A C E -C 14 0A 37 -2,-0.3 2,-0.5 -18,-0.2 -18,-0.2 -0.994 20.5-139.2-140.9 133.7 -2.1 -2.5 14.8 33 33 A I E -C 13 0A 34 -20,-2.1 -20,-2.2 -2,-0.3 2,-0.9 -0.857 18.9-145.1 -96.5 131.0 -3.9 0.2 16.8 34 34 A R E +C 12 0A 132 -2,-0.5 -22,-0.2 -22,-0.2 -23,-0.1 -0.846 22.7 175.4 -99.6 93.9 -7.6 -0.7 17.1 35 35 A T + 0 0 0 -24,-1.1 2,-0.6 -2,-0.9 -23,-0.1 0.112 20.7 151.1 -91.7 24.8 -9.4 2.6 17.0 36 36 A K + 0 0 137 -25,-0.2 2,-0.3 7,-0.0 -25,-0.1 -0.514 20.3 129.0 -59.8 103.7 -12.8 0.9 17.0 37 37 A V - 0 0 56 -2,-0.6 6,-0.2 1,-0.2 9,-0.0 -0.918 56.2-130.9-162.2 138.0 -15.1 3.5 18.8 38 38 A D S S+ 0 0 154 -2,-0.3 -1,-0.2 4,-0.1 5,-0.2 0.980 83.2 77.3 -50.9 -83.2 -18.4 5.1 17.8 39 39 A D >> - 0 0 86 1,-0.1 3,-1.9 3,-0.1 4,-1.3 -0.081 69.7-149.3 -46.6 109.1 -18.0 8.8 18.2 40 40 A L H >> S+ 0 0 23 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.905 95.1 64.0 -45.3 -56.0 -16.0 10.1 15.2 41 41 A P H 3> S+ 0 0 24 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.827 109.5 41.4 -42.6 -36.1 -14.4 12.9 17.3 42 42 A S H <> S+ 0 0 54 -3,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.768 107.1 57.8 -87.1 -30.6 -12.7 10.1 19.4 43 43 A R H XX S+ 0 0 55 -4,-1.3 4,-1.5 -3,-0.7 3,-0.8 0.971 110.6 46.4 -57.1 -57.7 -11.7 7.7 16.7 44 44 A L H >X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.3 3,-0.8 0.925 112.5 47.6 -43.2 -63.9 -9.7 10.5 15.1 45 45 A K H 3X S+ 0 0 83 -4,-1.2 4,-1.2 -5,-0.3 -1,-0.3 0.671 110.4 54.2 -58.2 -23.9 -8.1 11.6 18.3 46 46 A L H S+ 0 0 11 -4,-1.6 4,-2.3 -5,-0.2 5,-0.7 0.759 107.5 54.8 -78.2 -32.5 4.4 5.0 18.6 55 55 A I H X5S+ 0 0 8 -4,-1.2 4,-1.5 3,-0.2 -2,-0.2 0.915 117.0 36.0 -65.8 -45.2 6.5 8.0 17.5 56 56 A T H <5S+ 0 0 81 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.957 119.8 47.3 -74.6 -50.5 7.7 8.5 21.0 57 57 A Q H <5S+ 0 0 121 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.843 130.1 23.3 -56.5 -41.0 8.0 4.9 22.1 58 58 A F H <5S- 0 0 54 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.2 0.850 91.1-150.1 -98.6 -41.5 9.8 3.9 18.9 59 59 A Q << - 0 0 122 -4,-1.5 -3,-0.1 -5,-0.7 -4,-0.1 0.997 16.0-165.5 69.7 72.7 11.3 7.1 17.8 60 60 A P - 0 0 3 0, 0.0 -57,-0.2 0, 0.0 3,-0.1 -0.208 21.9-149.7 -80.2 170.1 11.6 7.1 14.0 61 61 A D S S+ 0 0 66 -59,-4.5 2,-0.3 1,-0.3 -58,-0.2 0.675 83.8 29.5-104.5 -43.2 13.6 9.4 11.8 62 62 A Y E -b 3 0A 86 -60,-1.9 -58,-0.6 34,-0.1 2,-0.4 -0.782 66.7-145.4-116.9 160.7 11.3 9.2 8.9 63 63 A F E -bd 4 98A 0 34,-1.8 36,-2.5 -2,-0.3 2,-0.4 -0.970 16.8-167.4-127.5 132.6 7.6 8.6 8.4 64 64 A A E +bd 5 99A 0 -60,-2.9 -58,-1.5 -2,-0.4 2,-0.3 -0.970 9.5 172.9-130.8 115.4 6.5 6.7 5.3 65 65 A I E -bd 6 100A 3 34,-2.0 36,-1.8 -2,-0.4 2,-0.5 -0.904 30.8-124.0-117.7 143.6 2.8 6.5 4.1 66 66 A E E - d 0 101A 46 -60,-0.6 36,-0.2 -2,-0.3 34,-0.1 -0.820 32.3-115.7 -90.7 133.0 1.6 5.0 0.9 67 67 A Q E - d 0 102A 84 34,-2.1 36,-0.5 -2,-0.5 2,-0.5 -0.174 19.4-143.2 -61.1 153.3 -0.4 7.3 -1.3 68 68 A V + 0 0 41 1,-0.1 3,-0.1 34,-0.1 34,-0.0 -0.998 38.4 144.8-117.1 118.9 -4.0 6.5 -1.9 69 69 A F + 0 0 131 -2,-0.5 -1,-0.1 1,-0.4 327,-0.1 0.522 54.5 48.4-120.8 -85.4 -5.2 7.3 -5.5 70 70 A M + 0 0 154 2,-0.0 -1,-0.4 323,-0.0 2,-0.2 -0.296 60.7 125.0 -64.9 141.5 -7.7 4.9 -7.0 71 71 A A - 0 0 46 -3,-0.1 322,-0.1 -2,-0.0 3,-0.0 -0.648 36.3-162.8-179.6 151.5 -10.7 4.0 -4.9 72 72 A K + 0 0 182 -2,-0.2 2,-0.8 320,-0.1 320,-0.2 0.339 61.4 97.5-135.0 5.6 -14.3 4.5 -6.2 73 73 A N > - 0 0 89 1,-0.1 4,-0.9 319,-0.1 318,-0.1 -0.888 50.8-172.3 -91.9 108.4 -16.3 4.4 -3.1 74 74 A A T 4 S+ 0 0 21 -2,-0.8 4,-0.5 2,-0.2 -1,-0.1 0.338 81.8 57.1 -86.2 3.9 -16.9 8.0 -2.1 75 75 A D T 4 S+ 0 0 123 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.793 114.8 40.4 -93.8 -33.8 -18.5 7.3 1.3 76 76 A S T > S+ 0 0 55 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.661 105.4 64.8 -82.0 -24.4 -15.3 5.4 2.2 77 77 A A H X S+ 0 0 5 -4,-0.9 4,-2.5 2,-0.2 5,-0.2 0.942 106.2 44.3 -61.7 -50.8 -13.0 7.9 0.6 78 78 A L H > S+ 0 0 14 -4,-0.5 4,-0.8 1,-0.2 -1,-0.2 0.701 112.8 53.7 -66.0 -24.7 -14.1 10.4 3.2 79 79 A K H > S+ 0 0 70 -4,-0.3 4,-0.7 2,-0.2 -2,-0.2 0.846 115.9 37.3 -84.6 -31.4 -13.8 7.7 5.8 80 80 A L H X S+ 0 0 48 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.714 111.3 61.2 -88.6 -22.3 -10.2 6.9 4.8 81 81 A G H X S+ 0 0 0 -4,-2.5 4,-0.9 2,-0.2 -3,-0.2 0.752 101.5 51.3 -73.7 -30.9 -9.3 10.6 4.2 82 82 A Q H >X S+ 0 0 10 -4,-0.8 4,-2.8 -5,-0.2 3,-1.1 0.995 113.6 41.5 -65.9 -65.3 -9.9 11.8 7.7 83 83 A A H 3X S+ 0 0 2 -4,-0.7 4,-3.5 1,-0.3 -2,-0.2 0.854 115.1 50.5 -47.1 -50.9 -7.8 9.2 9.5 84 84 A R H 3X S+ 0 0 8 -4,-1.6 4,-1.3 2,-0.2 -1,-0.3 0.734 111.4 49.2 -70.7 -21.6 -5.0 9.4 7.0 85 85 A G H <>S+ 0 0 0 -4,-0.6 5,-2.7 -3,-0.3 3,-1.1 0.736 108.5 62.4 -89.3 -31.5 3.9 13.2 12.6 92 92 A V H ><5S+ 0 0 29 -4,-1.4 3,-1.6 1,-0.3 -2,-0.2 0.972 107.4 47.2 -56.1 -54.9 4.0 16.7 11.3 93 93 A N T 3<5S+ 0 0 49 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.383 107.0 54.1 -65.2 -7.1 3.7 17.8 15.0 94 94 A Q T < 5S- 0 0 75 -3,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.285 121.3-107.1-106.9 -0.9 6.4 15.4 16.4 95 95 A E T < 5 + 0 0 180 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.2 0.741 66.8 153.1 74.6 36.4 8.8 16.9 13.7 96 96 A L < - 0 0 24 -5,-2.7 2,-0.6 -4,-0.1 -1,-0.2 -0.766 46.8-127.9 -95.7 136.7 8.9 13.9 11.4 97 97 A P - 0 0 62 0, 0.0 -34,-1.8 0, 0.0 2,-0.5 -0.763 32.4-146.3 -81.9 119.8 9.6 14.4 7.7 98 98 A V E -d 63 0A 24 -2,-0.6 2,-0.4 -36,-0.2 -34,-0.2 -0.867 16.1-170.7 -97.7 123.4 6.7 12.6 5.9 99 99 A F E -d 64 0A 84 -36,-2.5 -34,-2.0 -2,-0.5 2,-0.4 -0.955 9.5-151.6-123.9 132.4 7.0 10.7 2.6 100 100 A E E -d 65 0A 50 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.3 -0.719 8.3-166.5 -98.6 132.4 4.3 9.1 0.3 101 101 A Y E -d 66 0A 9 -36,-1.8 -34,-2.1 -2,-0.4 2,-0.2 -0.969 25.2-119.8-118.9 136.4 4.9 6.1 -2.0 102 102 A A E >> -d 67 0A 19 -2,-0.4 3,-2.3 -36,-0.2 4,-1.5 -0.542 30.5-112.0 -72.1 140.7 2.5 5.1 -4.7 103 103 A A H 3> S+ 0 0 26 -36,-0.5 4,-1.3 1,-0.3 -1,-0.1 0.792 117.6 55.2 -44.9 -30.9 1.1 1.5 -4.2 104 104 A R H 3> S+ 0 0 157 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.652 100.1 54.5 -80.3 -14.5 3.1 0.5 -7.4 105 105 A Q H <> S+ 0 0 77 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.812 106.8 56.0 -81.9 -30.6 6.6 1.7 -6.3 106 106 A V H X S+ 0 0 5 -4,-1.5 4,-2.1 2,-0.2 3,-0.4 0.976 109.7 42.5 -61.7 -52.9 6.1 -0.4 -3.2 107 107 A K H X>S+ 0 0 24 -4,-1.3 4,-2.3 1,-0.3 5,-0.9 0.914 114.2 52.4 -58.5 -46.7 5.5 -3.6 -5.3 108 108 A Q H <5S+ 0 0 107 -4,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.823 112.0 47.8 -61.3 -30.9 8.3 -2.7 -7.6 109 109 A T H <5S+ 0 0 33 -4,-2.0 -2,-0.2 -3,-0.4 -1,-0.2 0.786 126.4 19.9 -82.5 -33.9 10.7 -2.3 -4.6 110 110 A V H <5S+ 0 0 8 -4,-2.1 -3,-0.2 3,-0.2 -2,-0.2 0.677 132.4 35.7-107.7 -26.7 10.0 -5.5 -2.6 111 111 A V T <5S- 0 0 30 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.614 90.2-133.3-102.3 -14.8 8.4 -7.9 -5.1 112 112 A G S - 0 0 112 1,-0.1 4,-1.8 -10,-0.1 3,-0.5 -0.769 22.7-112.3-113.4 157.1 -0.5 -9.2 -5.1 118 118 A K H >>S+ 0 0 84 -2,-0.3 4,-2.7 1,-0.2 5,-0.7 0.922 112.0 65.2 -59.2 -50.8 -0.2 -8.7 -1.3 119 119 A S H >5S+ 0 0 84 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.878 110.2 43.2 -40.9 -45.3 0.2 -12.4 -0.4 120 120 A Q H >5S+ 0 0 86 -3,-0.5 4,-3.4 2,-0.2 3,-0.3 0.974 115.6 47.3 -57.3 -65.4 3.4 -12.1 -2.5 121 121 A V H X5S+ 0 0 3 -4,-1.8 4,-0.9 1,-0.3 -2,-0.2 0.810 117.8 39.9 -38.6 -59.8 4.4 -8.8 -0.9 122 122 A Q H X5S+ 0 0 45 -4,-2.7 4,-1.2 2,-0.2 -1,-0.3 0.717 114.7 55.6 -67.4 -30.0 3.8 -9.8 2.7 123 123 A H H XS+ 0 0 64 -4,-1.2 5,-5.2 -3,-0.4 -1,-0.2 0.683 112.6 48.3 -62.6 -23.5 9.0 -11.8 6.2 127 127 A T H ><5S+ 0 0 47 -4,-0.5 3,-0.6 3,-0.3 -2,-0.2 0.957 107.8 50.7 -82.6 -62.3 11.9 -12.8 4.1 128 128 A L H 3<5S+ 0 0 55 -4,-2.5 2,-2.9 1,-0.3 -2,-0.2 0.889 116.3 41.9 -36.7 -72.0 13.6 -9.5 3.7 129 129 A L T 3<5S- 0 0 8 -4,-2.2 -1,-0.3 2,-0.1 -103,-0.1 -0.481 114.7-123.4 -75.5 66.2 13.5 -8.9 7.5 130 130 A K T < 5 + 0 0 118 -2,-2.9 185,-0.7 -3,-0.6 -3,-0.3 0.218 64.6 139.2 -13.6 77.0 14.5 -12.6 7.8 131 131 A L < - 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0 0 73 319,-0.1 317,-0.1 1,-0.1 322,-0.1 -0.637 56.0-162.4 -89.5 145.3 50.6 -14.4 13.8 233 74 B A S S+ 0 0 19 -2,-0.3 4,-0.2 315,-0.2 316,-0.2 0.637 89.4 39.0-102.4 -19.5 52.0 -17.6 15.2 234 75 B D S >> S+ 0 0 119 2,-0.1 4,-2.2 314,-0.1 3,-0.6 0.827 118.7 45.2 -95.5 -48.4 52.9 -16.6 18.8 235 76 B S H 3> S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.647 107.5 59.9 -69.0 -17.8 49.9 -14.3 19.5 236 77 B A H 3> S+ 0 0 9 2,-0.2 4,-2.1 3,-0.2 -1,-0.2 0.797 108.3 45.7 -77.0 -31.5 47.5 -16.9 18.1 237 78 B L H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.862 114.7 45.6 -75.3 -48.5 48.8 -19.3 20.8 238 79 B K H >X S+ 0 0 84 -4,-2.2 4,-1.5 2,-0.2 3,-0.5 0.983 120.5 40.1 -65.7 -54.7 48.5 -16.8 23.5 239 80 B L H 3X S+ 0 0 50 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.903 113.9 56.7 -53.9 -47.2 45.1 -15.7 22.3 240 81 B G H 3X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.3 -1,-0.2 0.821 105.5 48.5 -50.7 -45.4 44.3 -19.4 21.6 241 82 B Q H S+ 0 0 0 -4,-0.7 5,-2.3 2,-0.2 3,-0.5 0.800 108.9 54.4 -92.8 -32.5 31.0 -22.1 30.2 251 92 B V H ><5S+ 0 0 32 -4,-1.4 3,-2.1 1,-0.2 4,-0.2 0.980 111.6 51.3 -65.2 -44.3 30.4 -25.7 28.9 252 93 B N T 3<5S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.646 101.7 58.0 -59.5 -18.9 31.0 -26.5 32.5 253 94 B Q T 3 5S- 0 0 79 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.079 119.7-113.9 -98.3 19.1 28.4 -24.0 33.7 254 95 B E T < 5S+ 0 0 186 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.836 70.5 143.8 48.3 46.4 26.1 -25.9 31.6 255 96 B L < - 0 0 15 -5,-2.3 2,-0.2 -4,-0.2 -1,-0.2 -0.944 54.8-114.1-123.0 128.9 25.7 -23.0 29.2 256 97 B P - 0 0 60 0, 0.0 -34,-2.8 0, 0.0 2,-0.4 -0.382 29.2-150.5 -60.9 120.2 25.3 -23.0 25.4 257 98 B V E -i 222 0B 24 -2,-0.2 2,-0.4 -36,-0.2 -34,-0.2 -0.775 11.3-167.6 -95.8 136.1 28.3 -21.5 23.6 258 99 B F E -i 223 0B 78 -36,-1.6 -34,-2.6 -2,-0.4 2,-0.5 -0.992 9.1-146.3-126.4 134.7 27.8 -19.8 20.2 259 100 B E E -i 224 0B 42 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.871 13.2-166.7-111.1 132.8 30.4 -18.7 17.8 260 101 B Y E -i 225 0B 12 -36,-3.8 -34,-3.1 -2,-0.5 5,-0.1 -0.909 23.9-118.6-119.9 132.7 30.1 -15.7 15.6 261 102 B A > - 0 0 27 -2,-0.4 4,-0.5 -36,-0.2 5,-0.1 -0.257 23.5-130.1 -55.6 146.2 32.1 -14.6 12.6 262 103 B A H >> S+ 0 0 5 -36,-0.3 4,-2.3 1,-0.2 3,-0.6 0.837 111.4 55.3 -73.1 -31.9 33.8 -11.2 13.2 263 104 B R H 3> S+ 0 0 150 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.782 100.9 59.5 -70.3 -25.7 32.4 -10.0 9.9 264 105 B Q H 3> S+ 0 0 70 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.630 109.0 42.5 -76.7 -17.7 28.9 -11.0 11.1 265 106 B V H S+ 0 0 37 -4,-2.3 5,-1.1 1,-0.2 4,-1.0 0.991 116.5 45.9 -52.5 -57.9 30.8 -5.8 12.0 267 108 B Q H <5S+ 0 0 80 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 118.7 40.6 -51.4 -44.5 27.9 -6.5 9.6 268 109 B T H <5S+ 0 0 13 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.772 124.9 31.9 -84.0 -27.7 25.2 -6.6 12.3 269 110 B V H <5S+ 0 0 0 -4,-3.9 -3,-0.2 -3,-0.2 -2,-0.2 0.932 132.3 24.0 -95.2 -63.4 26.4 -3.6 14.5 270 111 B V T <5S- 0 0 16 -4,-1.0 -3,-0.2 -5,-0.5 -4,-0.1 0.594 99.8-122.9 -78.1 -9.3 28.1 -1.0 12.2 271 112 B G S > - 0 0 102 -10,-0.1 3,-1.0 -6,-0.0 4,-0.7 -0.893 35.3-103.5-112.7 133.3 36.9 -0.0 12.5 277 118 B K H 3> S+ 0 0 85 -2,-0.4 4,-1.6 1,-0.3 5,-0.1 0.385 113.3 70.2 -31.2 -18.5 36.3 -0.1 16.3 278 119 B S H 34 S+ 0 0 81 2,-0.2 -1,-0.3 1,-0.2 4,-0.0 0.028 105.2 45.0 -97.9 22.3 35.3 3.6 16.7 279 120 B Q H <> S+ 0 0 91 -3,-1.0 4,-0.7 3,-0.1 -2,-0.2 0.348 108.5 54.2-126.9 -35.2 32.1 2.5 14.8 280 121 B V H >X S+ 0 0 2 -4,-0.7 4,-1.3 3,-0.1 3,-0.6 0.998 112.0 47.6 -63.6 -63.1 31.6 -0.6 16.8 281 122 B Q H >X S+ 0 0 53 -4,-1.6 4,-2.0 1,-0.2 3,-0.6 0.822 113.3 40.2 -38.5 -73.0 31.7 1.5 20.0 282 123 B H H 3> S+ 0 0 134 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.588 117.1 52.4 -62.2 -22.1 29.3 4.4 19.3 283 124 B M H <>S+ 0 0 59 -4,-2.0 5,-1.7 2,-0.2 3,-1.2 0.932 112.5 48.4 -68.4 -46.4 26.0 2.9 22.4 286 127 B T H 3<5S+ 0 0 56 -4,-1.6 3,-0.3 1,-0.3 -1,-0.2 0.747 111.6 55.1 -64.9 -23.1 23.4 4.1 19.8 287 128 B L H 3<5S+ 0 0 36 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.637 114.5 34.2 -92.3 -10.0 22.0 0.6 20.0 288 129 B L T <<5S- 0 0 20 -3,-1.2 -102,-0.3 -4,-0.6 -1,-0.2 0.066 105.7-114.2-131.1 27.5 21.4 0.5 23.8 289 130 B K T 5 + 0 0 177 -3,-0.3 -3,-0.2 -4,-0.3 -4,-0.1 0.900 65.2 160.4 38.4 64.7 20.5 4.1 24.4 290 131 B L < - 0 0 19 -5,-1.7 2,-2.9 2,-0.1 -1,-0.2 -0.778 48.0-177.6-133.0 96.9 23.7 4.4 26.5 291 132 B P + 0 0 127 0, 0.0 2,-0.9 0, 0.0 -5,-0.0 -0.546 37.8 176.1 -78.2 72.5 25.8 7.3 27.6 292 133 B A - 0 0 30 -2,-2.9 3,-0.1 1,-0.1 -2,-0.1 -0.776 35.1-110.5 -99.4 106.1 28.1 4.7 29.1 293 134 B N - 0 0 132 -2,-0.9 -1,-0.1 1,-0.1 0, 0.0 0.119 33.4-114.1 -35.2 111.1 31.2 6.2 30.6 294 135 B P + 0 0 101 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.265 61.0 127.4 -56.6 140.3 34.3 5.4 28.6 295 136 B Q S S- 0 0 113 -3,-0.1 3,-0.1 -105,-0.0 -105,-0.0 -0.672 72.2 -4.9-168.8-162.1 36.8 3.3 30.5 296 137 B A S S- 0 0 46 -2,-0.2 2,-1.0 1,-0.2 -106,-0.1 -0.137 86.6-102.8 -47.1 131.4 38.3 -0.0 29.1 297 138 B D + 0 0 105 1,-0.2 3,-0.3 -3,-0.1 4,-0.2 -0.395 53.6 158.1 -76.6 104.7 36.7 -0.9 25.7 298 139 B A > + 0 0 3 -2,-1.0 4,-1.1 1,-0.2 -108,-0.2 -0.139 45.4 106.8-106.1 19.9 34.3 -3.7 26.5 299 140 B A H > + 0 0 12 2,-0.2 4,-1.5 1,-0.1 5,-0.2 0.859 68.5 59.7 -77.9 -39.7 32.4 -2.8 23.4 300 141 B D H >> S+ 0 0 57 -3,-0.3 3,-1.1 1,-0.2 4,-1.0 0.972 106.2 48.3 -54.0 -60.0 33.6 -5.9 21.4 301 142 B A H >> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 3,-0.8 0.875 110.2 52.7 -43.8 -48.5 32.0 -8.2 24.0 302 143 B L H 3X S+ 0 0 8 -4,-1.1 4,-1.4 1,-0.2 -1,-0.2 0.751 107.2 51.7 -63.2 -28.8 28.7 -6.1 23.9 303 144 B A H X S+ 0 0 9 -4,-1.4 4,-0.9 1,-0.2 3,-0.5 0.980 114.5 49.9 -51.6 -60.8 23.9 -8.1 20.2 307 148 B T H >X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 3,-1.1 0.808 103.3 57.0 -48.3 -50.1 25.1 -10.3 17.3 308 149 B H H 3X S+ 0 0 5 -4,-3.6 4,-0.9 1,-0.3 -1,-0.2 0.961 110.5 46.5 -43.8 -56.9 24.0 -13.5 18.9 309 150 B C H S- L 0 342C 96 3,-1.5 3,-4.0 -2,-0.4 2,-3.2 -0.931 74.6 -70.2 -98.3 93.2 -26.0 36.0 24.8 340 22 C G T 3 S- 0 0 38 -2,-0.9 3,-0.1 1,-0.3 132,-0.0 -0.105 122.6 -8.1 47.1 -65.3 -29.0 33.7 25.1 341 23 C R T 3 S+ 0 0 244 -2,-3.2 2,-1.2 1,-0.1 -1,-0.3 0.456 110.5 100.3-133.7 -8.0 -30.8 35.1 22.0 342 24 C Q E < -L 339 0C 130 -3,-4.0 -3,-1.5 2,-0.0 -1,-0.1 -0.698 63.1-155.3 -86.1 91.9 -28.6 38.2 21.2 343 25 C L E -L 338 0C 54 -2,-1.2 2,-0.2 -5,-0.2 -5,-0.2 -0.332 15.2-171.3 -63.6 148.3 -26.5 36.9 18.3 344 26 C S E -L 337 0C 36 -7,-2.3 -7,-3.0 0, 0.0 2,-0.4 -0.783 21.7-130.9-159.3 117.1 -23.1 38.7 17.8 345 27 C Y E +L 336 0C 97 -2,-0.2 -9,-0.2 -9,-0.2 3,-0.1 -0.362 29.3 161.0 -73.9 121.1 -20.2 38.8 15.3 346 28 C L E - 0 0 53 -11,-1.2 2,-0.2 -2,-0.4 -10,-0.2 0.843 63.4 -46.7 -99.7 -48.6 -16.7 38.5 16.7 347 29 C G E -L 335 0C 8 -12,-2.4 -12,-4.2 2,-0.0 -1,-0.3 -0.820 44.8-165.6 169.0 152.8 -14.8 37.5 13.5 348 30 C S E +L 334 0C 23 -14,-0.3 2,-0.3 -2,-0.2 -14,-0.3 -0.870 18.9 142.5-143.4 168.7 -14.7 35.4 10.3 349 31 C G E -L 333 0C 8 -16,-2.7 -16,-4.9 -2,-0.3 2,-0.4 -0.960 39.8 -99.9 168.2 175.0 -12.1 34.4 7.7 350 32 C C E -L 332 0C 14 -18,-0.3 -18,-0.3 -2,-0.3 2,-0.3 -0.973 21.9-141.8-129.3 117.9 -10.6 31.9 5.3 351 33 C I E -L 331 0C 17 -20,-4.3 -20,-1.3 -2,-0.4 2,-0.8 -0.595 19.6-146.8 -71.7 129.9 -7.4 29.8 5.9 352 34 C R E +L 330 0C 157 -2,-0.3 2,-0.6 -22,-0.2 3,-0.2 -0.775 29.3 163.7-115.0 97.2 -5.5 29.5 2.6 353 35 C T + 0 0 0 -24,-0.9 12,-0.1 -2,-0.8 -1,-0.1 -0.528 19.6 141.5-107.5 60.8 -3.7 26.2 2.4 354 36 C K + 0 0 122 -2,-0.6 -1,-0.2 7,-0.0 7,-0.1 0.820 26.4 125.4 -74.5 -35.8 -3.0 26.2 -1.3 355 37 C V - 0 0 69 -3,-0.2 6,-0.1 1,-0.1 -2,-0.0 0.212 65.1-124.7 -36.9 143.7 0.5 24.6 -1.3 356 38 C D S S+ 0 0 148 4,-0.0 -1,-0.1 5,-0.0 2,-0.0 0.825 86.1 81.8 -58.1 -49.4 1.2 21.5 -3.3 357 39 C D > - 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0 0 71 -6,-1.1 3,-1.1 -9,-0.1 -1,-0.2 -0.977 63.7-143.6-148.8 130.1 71.0 -35.1 21.5 591 114 D G T 3 S+ 0 0 25 -2,-0.3 -6,-0.1 1,-0.2 -7,-0.1 0.349 100.3 57.6 -74.5 5.3 69.0 -32.0 20.6 592 115 D S T 3 S+ 0 0 100 -8,-0.1 -1,-0.2 2,-0.1 -11,-0.0 0.329 74.5 145.6-114.0 -1.7 68.7 -33.1 16.9 593 116 D A < - 0 0 7 -3,-1.1 2,-0.3 1,-0.1 -9,-0.1 -0.097 49.6-129.6 -40.1 117.8 66.9 -36.4 17.8 594 117 D E > - 0 0 99 1,-0.1 3,-1.2 3,-0.1 4,-0.4 -0.607 22.1-119.8 -79.0 136.0 64.3 -37.4 15.2 595 118 D K G >> S+ 0 0 112 -2,-0.3 4,-2.3 1,-0.3 3,-1.3 0.761 112.6 62.4 -39.7 -42.7 61.1 -38.2 17.0 596 119 D S G 34 S+ 0 0 64 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.947 106.8 46.0 -55.0 -50.2 61.1 -41.8 15.7 597 120 D Q G <4 S+ 0 0 105 -3,-1.2 4,-0.5 1,-0.2 -1,-0.3 0.337 110.7 51.6 -69.1 -8.2 64.3 -42.3 17.7 598 121 D V T <> S+ 0 0 4 -3,-1.3 4,-1.6 -4,-0.4 3,-0.3 0.759 106.9 53.2 -96.4 -36.8 63.0 -40.6 20.9 599 122 D Q H X S+ 0 0 50 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.559 103.2 62.7 -70.0 -12.8 60.0 -42.8 20.9 600 123 D H H > S+ 0 0 120 -5,-0.2 4,-1.0 -4,-0.2 -1,-0.2 0.895 102.5 45.7 -83.4 -43.6 62.5 -45.6 20.7 601 124 D M H > S+ 0 0 61 -4,-0.5 4,-3.0 -3,-0.3 5,-0.2 0.832 110.6 52.5 -67.9 -42.0 64.1 -44.8 24.1 602 125 D V H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.3 6,-0.3 0.971 110.9 47.4 -57.7 -58.0 60.8 -44.5 25.9 603 126 D R H <>S+ 0 0 35 -4,-1.0 5,-3.5 1,-0.2 -1,-0.2 0.798 119.7 41.6 -53.0 -32.7 59.7 -47.9 24.6 604 127 D T H ><5S+ 0 0 82 -4,-1.0 3,-0.5 3,-0.2 -2,-0.3 0.687 110.5 53.9 -84.9 -33.3 63.1 -49.1 25.7 605 128 D L H 3<5S+ 0 0 61 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.820 118.8 38.1 -70.6 -34.0 63.3 -47.3 29.0 606 129 D L T 3<5S- 0 0 15 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.190 106.1-122.4-105.0 16.4 59.9 -48.9 29.9 607 130 D K T < 5 - 0 0 178 -3,-0.5 -3,-0.2 1,-0.2 -4,-0.1 0.831 42.8-172.1 41.7 42.9 60.4 -52.4 28.3 608 131 D L < - 0 0 23 -5,-3.5 2,-4.6 -6,-0.3 -1,-0.2 -0.617 24.3-154.3 -70.5 101.5 57.4 -51.5 26.3 609 132 D P + 0 0 140 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.250 56.1 136.9 -74.9 59.1 56.4 -54.7 24.4 610 133 D A - 0 0 26 -2,-4.6 -2,-0.1 -7,-0.2 3,-0.1 -0.794 39.9-176.9-124.6 98.9 55.0 -52.1 22.2 611 134 D N - 0 0 154 -2,-0.6 0, 0.0 1,-0.2 0, 0.0 -0.664 53.0 -80.9 -82.8 145.1 55.2 -52.2 18.5 612 135 D P S S+ 0 0 98 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.033 71.4 128.0 -60.3 150.0 53.6 -49.1 17.1 613 136 D Q S S- 0 0 164 -3,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.678 88.1 -43.8 178.1 165.7 50.0 -48.6 16.6 614 137 D A S S+ 0 0 55 -2,-0.3 2,-0.3 2,-0.1 -105,-0.1 -0.314 83.3 142.8 -52.0 128.3 48.7 -45.4 18.2 615 138 D D - 0 0 36 -107,-0.1 2,-0.2 -5,-0.0 3,-0.2 -0.771 55.1-111.7-153.2 171.7 50.3 -45.2 21.7 616 139 D A > + 0 0 4 -2,-0.3 4,-1.8 -124,-0.2 3,-0.4 -0.462 52.3 147.4-119.8 61.5 51.5 -41.9 23.4 617 140 D A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.648 76.4 54.0 -68.0 -18.1 55.3 -42.1 23.6 618 141 D D H > S+ 0 0 52 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.820 110.3 50.2 -81.0 -28.2 55.7 -38.3 23.2 619 142 D A H > S+ 0 0 0 -3,-0.4 4,-0.8 2,-0.2 -126,-0.5 0.837 114.9 42.6 -68.4 -41.3 53.3 -38.1 26.1 620 143 D L H >X S+ 0 0 0 -4,-1.8 4,-2.3 -128,-0.2 3,-0.8 0.899 109.6 57.4 -71.8 -48.5 55.5 -40.6 28.0 621 144 D A H 3X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.3 3,-0.3 0.911 103.4 54.2 -49.9 -53.1 58.7 -38.9 26.9 622 145 D I H 3X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 0.757 109.5 48.5 -50.7 -37.9 57.5 -35.6 28.5 623 146 D A H X S+ 0 0 14 -4,-2.3 3,-1.5 -3,-0.3 4,-1.4 0.976 109.2 54.1 -59.1 -55.2 60.4 -39.2 31.8 625 148 D T H 3X>S+ 0 0 1 -4,-2.5 4,-1.2 1,-0.3 5,-0.5 0.893 100.8 59.4 -41.0 -57.4 62.0 -35.8 31.1 626 149 D H H 3X5S+ 0 0 11 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.882 106.9 47.9 -41.0 -47.6 60.2 -34.3 34.1 627 150 D C H <<5S+ 0 0 9 -3,-1.5 -1,-0.2 -4,-1.3 -2,-0.2 0.960 116.4 39.2 -61.2 -59.1 62.0 -36.9 36.4 628 151 D H H ><5S+ 0 0 108 -4,-1.4 3,-0.7 1,-0.2 4,-0.2 0.978 116.8 49.3 -52.5 -80.0 65.5 -36.5 35.1 629 152 D V H 3<5S+ 0 0 31 -4,-1.2 3,-0.4 1,-0.3 2,-0.3 0.640 117.4 44.1 -31.9 -37.1 65.3 -32.6 34.7 630 153 D S T 3<