==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JUL-09 2WOM . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.PHILLIPS,S.L.IRVING,T.KNOECHEL,H.RINGROSE . 969 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 608 62.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 133 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 57 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 26.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 1 0 4 2 1 1 1 0 1 0 3 2 3 1 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 0 4 1 0 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 PARALLEL BRIDGES PER LADDER . 5 3 6 1 2 4 5 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 . 4 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 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 P 0 0 91 0, 0.0 2,-0.4 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0-175.8 31.5 3.6 30.3 2 2 A I - 0 0 62 212,-0.0 116,-0.2 146,-0.0 115,-0.1 -0.934 360.0-114.6-136.4 107.8 33.4 6.9 30.3 3 3 A S - 0 0 4 114,-3.0 210,-0.2 -2,-0.4 209,-0.1 -0.074 9.1-138.9 -44.5 134.5 33.5 8.6 26.9 4 4 A P + 0 0 92 0, 0.0 -1,-0.2 0, 0.0 209,-0.1 0.295 60.9 133.6 -78.7 9.9 36.9 9.0 25.3 5 5 A I - 0 0 14 207,-0.3 158,-0.1 1,-0.1 207,-0.0 -0.351 69.7 -98.7 -62.2 139.6 35.9 12.6 24.3 6 6 A E - 0 0 158 1,-0.1 -1,-0.1 -2,-0.1 2,-0.1 -0.235 50.1-111.6 -54.1 141.4 38.3 15.4 24.9 7 7 A T - 0 0 27 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.428 19.9-111.7 -80.3 162.8 37.3 17.2 28.1 8 8 A V - 0 0 7 111,-0.4 113,-0.5 -2,-0.1 2,-0.2 -0.826 34.5-119.6 -90.8 119.6 35.9 20.7 28.4 9 9 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 600,-0.0 -0.430 38.5-170.2 -61.1 122.2 38.4 23.0 30.2 10 10 A V + 0 0 11 -2,-0.2 2,-0.3 74,-0.0 599,-0.0 -0.911 8.8 176.9-117.7 148.2 36.6 24.2 33.3 11 11 A K - 0 0 133 -2,-0.3 74,-1.7 598,-0.1 2,-0.1 -0.968 28.7-106.8-146.3 161.3 37.7 26.9 35.8 12 12 A L B -A 84 0A 17 -2,-0.3 72,-0.2 72,-0.2 4,-0.1 -0.467 54.8 -77.4 -83.6 161.2 36.5 28.7 38.9 13 13 A K > - 0 0 64 70,-2.6 3,-1.6 -2,-0.1 -1,-0.1 -0.288 59.7 -95.3 -56.9 137.9 35.3 32.4 38.9 14 14 A P T 3 S+ 0 0 139 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 0.703 116.3 30.2 -20.6 -75.6 38.2 34.9 38.7 15 15 A G T 3 S+ 0 0 82 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.224 106.1 97.8 -90.4 43.6 38.9 35.8 42.3 16 16 A M < - 0 0 80 -3,-1.6 2,-0.3 -2,-0.6 -4,-0.1 -0.951 51.1-159.0-135.1 153.1 37.8 32.5 43.8 17 17 A D - 0 0 73 -2,-0.3 -4,-0.1 1,-0.2 -2,-0.0 -0.801 41.1 -69.7-123.6 164.7 39.3 29.3 45.1 18 18 A G - 0 0 5 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.159 59.7 -84.2 -50.1 164.0 37.9 25.8 45.6 19 19 A P - 0 0 0 0, 0.0 38,-1.5 0, 0.0 -1,-0.1 -0.409 33.5-176.1 -74.7 151.2 35.3 24.8 48.3 20 20 A K B +b 57 0B 130 36,-0.3 2,-0.5 -2,-0.1 38,-0.2 -0.412 22.8 155.3-144.0 56.9 36.5 23.9 51.9 21 21 A V - 0 0 46 36,-2.3 58,-0.0 1,-0.0 0, 0.0 -0.825 42.0-121.1 -93.5 120.1 33.2 22.9 53.6 22 22 A K - 0 0 163 -2,-0.5 2,-0.4 1,-0.1 -2,-0.0 -0.217 25.2-106.9 -63.3 149.4 33.7 20.6 56.6 23 23 A Q - 0 0 29 36,-0.1 -1,-0.1 35,-0.1 109,-0.0 -0.651 27.6-130.5 -79.5 128.5 32.1 17.1 56.7 24 24 A W - 0 0 163 -2,-0.4 2,-0.2 36,-0.2 36,-0.1 -0.526 35.7-101.2 -72.1 141.9 29.2 16.8 59.2 25 25 A P - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.530 48.6-150.6 -68.5 129.9 29.6 13.7 61.4 26 26 A L - 0 0 23 -2,-0.2 110,-0.5 1,-0.1 111,-0.1 -0.748 15.3 -91.5-108.2 157.9 27.4 11.0 59.9 27 27 A T > - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.144 35.0-115.6 -57.7 153.0 25.4 7.9 61.3 28 28 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.940 118.0 47.7 -54.8 -50.5 27.1 4.5 61.3 29 29 A E H > S+ 0 0 97 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 112.0 48.0 -59.0 -45.5 24.4 3.2 58.8 30 30 A K H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.0 52.1 -65.3 -37.5 24.9 6.2 56.5 31 31 A I H X S+ 0 0 13 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.877 107.2 52.6 -65.0 -41.5 28.7 5.8 56.6 32 32 A K H X S+ 0 0 136 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.929 110.2 48.7 -58.7 -48.7 28.4 2.1 55.6 33 33 A A H X S+ 0 0 6 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.939 109.5 50.4 -58.1 -53.1 26.2 3.0 52.6 34 34 A L H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.900 108.4 54.2 -54.0 -43.9 28.6 5.7 51.3 35 35 A V H X S+ 0 0 50 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.905 114.8 39.0 -57.2 -48.4 31.5 3.3 51.6 36 36 A E H X S+ 0 0 129 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.922 116.5 50.0 -70.0 -45.8 29.8 0.6 49.4 37 37 A I H X S+ 0 0 35 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.958 114.9 45.0 -55.2 -52.7 28.3 3.1 47.0 38 38 A C H X S+ 0 0 0 -4,-3.2 4,-2.4 -5,-0.2 -1,-0.2 0.802 108.5 56.9 -63.3 -32.2 31.7 4.8 46.6 39 39 A T H X S+ 0 0 68 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.923 109.4 46.1 -65.4 -43.0 33.4 1.4 46.2 40 40 A E H X S+ 0 0 105 -4,-2.3 4,-1.1 2,-0.2 3,-0.4 0.970 114.4 46.6 -61.0 -54.6 31.2 0.6 43.3 41 41 A M H ><>S+ 0 0 22 -4,-2.3 5,-1.7 1,-0.2 6,-0.7 0.856 111.5 52.5 -53.9 -42.9 31.7 4.0 41.6 42 42 A E H ><5S+ 0 0 64 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.855 105.1 54.7 -63.0 -39.1 35.5 3.7 42.2 43 43 A K H 3<5S+ 0 0 177 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.737 109.3 48.9 -66.5 -25.9 35.5 0.3 40.5 44 44 A E T <<5S- 0 0 118 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.334 115.9-113.2 -97.5 4.3 33.8 1.9 37.4 45 45 A G T < 5S+ 0 0 27 -3,-1.2 -3,-0.2 2,-0.3 -2,-0.1 0.409 84.5 121.6 78.5 0.5 36.3 4.9 37.2 46 46 A K S > -F 70 0D 123 5,-1.2 3,-0.6 -2,-0.4 5,-0.6 -0.584 34.1-110.3 -74.9 133.7 14.1 5.8 49.0 66 66 A K T 3 5S+ 0 0 158 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.006 98.2 37.6 -62.2 166.8 11.0 4.2 50.5 67 67 A D T 3 5S+ 0 0 164 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.531 120.3 63.2 63.7 9.8 9.4 0.8 49.4 68 68 A S T < 5S- 0 0 43 -3,-0.6 2,-0.3 2,-0.1 -1,-0.1 -0.968 75.4-142.2-158.2 145.6 13.0 -0.2 49.1 69 69 A T T 5 + 0 0 114 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.1 -0.486 61.5 124.2-108.6 54.4 16.0 -0.4 51.5 70 70 A K E < -F 65 0D 126 -5,-0.6 -5,-1.2 -2,-0.3 2,-0.1 -0.982 54.0-136.5-122.6 119.4 18.6 0.9 49.0 71 71 A W E -F 64 0D 53 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.396 12.1-155.2 -75.3 150.5 20.7 3.9 49.9 72 72 A R E -F 63 0D 156 -9,-2.2 -9,-2.1 -2,-0.1 2,-0.6 -0.969 15.0-127.0-128.0 140.7 21.4 6.9 47.6 73 73 A K E -F 62 0D 24 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.791 23.0-169.4 -94.8 117.7 24.4 9.2 47.7 74 74 A L E -F 61 0D 61 -13,-2.1 -13,-2.3 -2,-0.6 2,-0.5 -0.915 3.3-165.0-111.2 124.2 23.7 13.0 47.8 75 75 A V E -F 60 0D 26 -2,-0.5 2,-1.2 76,-0.2 -15,-0.2 -0.904 15.9-141.0-106.5 130.1 26.4 15.6 47.4 76 76 A D + 0 0 56 -17,-1.6 3,-0.5 -2,-0.5 4,-0.2 -0.733 27.3 169.5 -91.5 93.7 25.8 19.2 48.4 77 77 A F > + 0 0 5 -2,-1.2 4,-3.3 1,-0.2 5,-0.2 0.259 39.5 116.0 -88.2 12.5 27.5 21.2 45.6 78 78 A R H > S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.838 81.1 42.6 -47.8 -42.5 26.0 24.5 46.7 79 79 A E H > S+ 0 0 59 -3,-0.5 4,-1.1 2,-0.2 3,-0.3 0.955 114.8 45.9 -73.9 -51.7 29.4 25.9 47.5 80 80 A L H >> S+ 0 0 0 -4,-0.2 4,-1.2 1,-0.2 3,-0.7 0.899 111.3 56.3 -56.5 -42.0 31.4 24.6 44.5 81 81 A N H 3< S+ 0 0 40 -4,-3.3 3,-0.3 1,-0.3 -1,-0.2 0.855 103.8 51.7 -58.2 -40.4 28.5 25.8 42.3 82 82 A K H 3< S+ 0 0 128 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.757 115.9 43.7 -65.9 -26.5 28.8 29.4 43.7 83 83 A R H << S+ 0 0 59 -4,-1.1 -70,-2.6 -3,-0.7 2,-0.2 0.589 94.2 98.0 -94.4 -15.5 32.6 29.2 42.9 84 84 A T B < S-A 12 0A 0 -4,-1.2 -72,-0.2 -3,-0.3 3,-0.1 -0.576 81.6-103.8 -79.3 140.8 32.2 27.6 39.4 85 85 A Q - 0 0 21 -74,-1.7 2,-0.2 -2,-0.2 -1,-0.1 -0.014 39.8 -99.2 -52.2 159.2 32.3 29.8 36.3 86 86 A D - 0 0 68 523,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.549 42.9-156.3 -79.8 150.3 29.1 30.6 34.4 87 87 A F - 0 0 21 -2,-0.2 522,-0.2 1,-0.1 -1,-0.1 -0.420 24.8 -89.1-113.4-166.3 28.4 28.5 31.4 88 88 A W - 0 0 40 520,-1.1 2,-0.2 -2,-0.2 -1,-0.1 0.967 55.2 -96.5 -70.5 -90.3 26.5 28.9 28.3 89 89 A E - 0 0 94 1,-0.1 3,-0.1 69,-0.0 -1,-0.1 -0.445 22.0-127.8 160.9 122.7 22.7 27.7 28.5 90 90 A V S S- 0 0 59 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.958 83.6 -11.5 -51.1 -61.9 21.7 24.3 27.3 91 91 A Q - 0 0 29 603,-0.1 -1,-0.2 -3,-0.1 3,-0.1 -0.984 46.6-139.4-147.5 152.9 18.9 25.5 25.1 92 92 A L S S- 0 0 63 -2,-0.3 2,-0.3 1,-0.2 -1,-0.0 0.451 90.4 -0.1 -88.3 -6.0 16.9 28.7 24.3 93 93 A G S S- 0 0 26 598,-0.1 -1,-0.2 597,-0.0 3,-0.0 -0.963 70.1-109.1-173.1 165.1 13.6 26.7 24.0 94 94 A I - 0 0 75 -2,-0.3 598,-0.1 -3,-0.1 597,-0.1 -0.871 48.5 -98.8-102.5 137.0 12.0 23.2 24.2 95 95 A P - 0 0 3 0, 0.0 596,-0.1 0, 0.0 3,-0.1 -0.251 34.4-139.7 -55.7 139.4 10.7 21.6 20.9 96 96 A H > - 0 0 22 1,-0.1 3,-1.9 286,-0.1 4,-0.4 -0.904 11.7-130.8 -99.3 135.2 7.0 22.1 20.5 97 97 A P G > S+ 0 0 0 0, 0.0 3,-3.0 0, 0.0 222,-0.3 0.904 106.4 64.1 -48.9 -46.1 5.2 19.0 19.1 98 98 A A G 3 S+ 0 0 0 1,-0.3 221,-0.1 220,-0.1 252,-0.1 0.673 101.1 53.2 -51.0 -23.2 3.4 21.2 16.4 99 99 A G G < S+ 0 0 3 -3,-1.9 -1,-0.3 219,-0.1 2,-0.1 0.544 82.1 113.1 -89.9 -12.1 6.9 21.9 15.0 100 100 A L < - 0 0 33 -3,-3.0 219,-2.3 -4,-0.4 2,-0.1 -0.418 68.7-127.0 -66.2 128.4 7.8 18.2 14.7 101 101 A K B -g 319 0E 51 217,-0.2 2,-0.4 -2,-0.1 219,-0.2 -0.501 25.9-101.7 -76.3 150.9 8.1 17.1 11.1 102 102 A K + 0 0 79 217,-1.6 2,-0.3 -2,-0.1 135,-0.1 -0.637 47.7 172.7 -75.1 126.1 6.1 14.2 9.8 103 103 A N - 0 0 25 133,-0.4 89,-0.2 -2,-0.4 3,-0.1 -0.986 36.2-135.9-138.8 133.2 8.4 11.1 9.5 104 104 A K S S+ 0 0 142 -2,-0.3 2,-0.4 87,-0.2 88,-0.2 0.931 95.9 33.4 -56.7 -37.7 7.2 7.4 8.6 105 105 A S E +H 191 0F 13 86,-1.7 86,-1.9 88,-0.2 2,-0.4 -0.953 67.6 177.6-125.8 133.5 9.4 6.1 11.4 106 106 A V E -H 190 0F 61 -2,-0.4 2,-0.4 84,-0.2 84,-0.2 -0.993 4.0-173.4-132.1 138.6 10.4 7.6 14.8 107 107 A T E -H 189 0F 14 82,-2.7 82,-3.2 -2,-0.4 2,-0.5 -0.991 13.8-148.8-135.0 139.2 12.6 6.2 17.7 108 108 A V E +H 188 0F 13 -2,-0.4 2,-0.4 115,-0.3 115,-0.4 -0.931 17.7 179.3-106.8 129.2 13.3 7.4 21.2 109 109 A L E -H 187 0F 1 78,-3.2 78,-0.9 -2,-0.5 2,-0.5 -0.995 11.9-157.0-130.3 119.8 16.7 6.5 22.6 110 110 A D E -H 186 0F 47 -2,-0.4 2,-0.9 76,-0.2 76,-0.2 -0.872 22.7-124.7-102.5 135.1 17.7 7.7 26.1 111 111 A V - 0 0 0 74,-3.2 104,-0.4 -2,-0.5 105,-0.1 0.130 34.8-143.4 -69.0 29.2 21.4 8.0 26.9 112 112 A G S S+ 0 0 28 -2,-0.9 2,-2.6 1,-0.2 -1,-0.2 -0.236 79.6 11.3 52.6-134.5 21.4 5.7 30.1 113 113 A D S S+ 0 0 125 1,-0.2 4,-0.5 2,-0.1 -1,-0.2 -0.439 87.4 173.3 -78.2 69.0 23.7 6.8 32.9 114 114 A A > + 0 0 8 -2,-2.6 3,-2.2 1,-0.2 -1,-0.2 0.892 63.5 36.0 -41.9 -81.6 24.2 10.2 31.1 115 115 A Y G > S+ 0 0 48 1,-0.3 3,-1.3 2,-0.2 34,-0.9 0.841 115.4 57.5 -49.8 -41.5 26.3 12.5 33.3 116 116 A F G 3 S+ 0 0 35 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.535 97.2 62.2 -71.9 -7.8 28.4 9.7 34.7 117 117 A S G < S+ 0 0 4 -3,-2.2 -114,-3.0 -4,-0.5 -1,-0.3 0.209 90.9 82.7 -99.6 11.4 29.6 8.6 31.2 118 118 A V S < S- 0 0 2 -3,-1.3 31,-2.0 -116,-0.2 42,-0.1 -0.973 77.5-124.9-123.9 127.4 31.3 11.9 30.5 119 119 A P B -J 148 0G 12 0, 0.0 -111,-0.4 0, 0.0 2,-0.3 -0.277 17.7-138.0 -68.4 150.8 34.8 12.9 31.7 120 120 A L - 0 0 2 27,-2.8 5,-0.1 -113,-0.1 -113,-0.1 -0.818 36.9 -87.3-106.2 145.2 35.6 16.0 33.8 121 121 A D >> - 0 0 13 -113,-0.5 3,-1.8 -2,-0.3 4,-1.2 -0.337 34.6-139.0 -53.5 124.6 38.6 18.2 33.2 122 122 A E H >> S+ 0 0 102 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.874 102.1 58.3 -53.7 -44.2 41.5 16.7 35.2 123 123 A D H 34 S+ 0 0 111 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.527 111.8 43.6 -66.6 -6.0 42.7 20.2 36.3 124 124 A F H X4 S+ 0 0 0 -3,-1.8 3,-1.8 2,-0.1 4,-0.3 0.635 90.0 82.2-110.8 -23.5 39.2 20.7 37.9 125 125 A R H X< S+ 0 0 52 -4,-1.2 3,-2.7 -3,-0.5 21,-0.4 0.847 80.4 69.0 -51.5 -39.9 38.7 17.3 39.5 126 126 A K G >< S+ 0 0 91 -4,-0.7 3,-0.9 1,-0.3 -1,-0.3 0.815 95.3 55.8 -50.6 -33.1 40.7 18.4 42.5 127 127 A Y G < S+ 0 0 36 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.592 94.4 68.0 -76.8 -11.3 37.8 20.8 43.4 128 128 A T G < S+ 0 0 0 -3,-2.7 -1,-0.2 -4,-0.3 -2,-0.2 0.246 72.1 143.6 -92.3 11.9 35.3 17.9 43.5 129 129 A A < + 0 0 0 -3,-0.9 -71,-0.9 16,-0.2 2,-0.3 -0.229 21.9 173.2 -57.2 131.8 36.8 16.4 46.6 130 130 A F E -dE 58 144C 1 14,-1.7 14,-2.1 -73,-0.2 2,-0.4 -0.930 19.5-137.6-137.3 160.5 34.5 14.9 49.2 131 131 A T E - E 0 143C 18 -73,-0.6 -71,-0.3 -2,-0.3 12,-0.2 -0.972 7.1-149.4-130.3 127.1 35.0 12.9 52.4 132 132 A I E - E 0 142C 3 10,-2.4 10,-1.5 -2,-0.4 -101,-0.0 -0.794 38.6-132.6 -83.9 112.1 33.3 9.8 53.8 133 133 A P - 0 0 15 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.330 13.3-113.2 -69.7 154.7 33.7 10.5 57.6 134 134 A S >> - 0 0 15 5,-0.5 3,-2.1 1,-0.1 4,-0.5 -0.684 50.7 -75.7 -87.5 137.9 34.9 7.9 60.0 135 135 A I T 34 S- 0 0 93 -2,-0.3 -1,-0.1 1,-0.3 -108,-0.1 -0.035 117.8 -9.7 -31.6 98.7 32.5 6.6 62.7 136 136 A N T 34 S- 0 0 145 -110,-0.5 -1,-0.3 1,-0.2 -109,-0.1 0.764 123.6 -63.2 77.1 35.0 32.4 9.5 65.2 137 137 A N T <4 S+ 0 0 133 -3,-2.1 -2,-0.2 -111,-0.1 -1,-0.2 0.976 85.9 157.4 50.7 57.7 35.3 11.7 63.8 138 138 A E < - 0 0 128 -4,-0.5 3,-0.1 1,-0.3 -2,-0.1 0.963 60.0 -40.7 -69.9 -81.5 37.8 8.9 64.5 139 139 A T S S- 0 0 78 1,-0.3 -5,-0.5 -4,-0.0 -1,-0.3 -0.529 98.7 -27.9-134.5-167.1 40.6 9.7 62.1 140 140 A P - 0 0 117 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.187 64.5-129.4 -54.2 141.6 40.7 10.9 58.4 141 141 A G - 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0 0 118 1,-0.1 4,-3.1 4,-0.1 3,-0.2 -0.390 47.5-107.1 -64.2 147.1 32.3 67.8 -9.9 749 195 B I H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.785 120.9 55.0 -46.8 -34.5 30.3 64.6 -9.6 750 196 B G H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.950 112.4 39.6 -64.8 -53.4 32.3 63.2 -12.5 751 197 B Q H > S+ 0 0 97 -3,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.875 114.0 57.1 -64.1 -40.2 35.7 63.8 -10.9 752 198 B H H X S+ 0 0 2 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.972 109.3 42.8 -53.7 -59.8 34.3 62.7 -7.6 753 199 B R H X S+ 0 0 133 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.851 113.4 54.0 -54.8 -39.2 33.2 59.3 -8.9 754 200 B T H X S+ 0 0 79 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.928 108.7 48.8 -60.9 -46.7 36.5 59.0 -10.7 755 201 B K H X S+ 0 0 51 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.853 110.2 51.1 -63.6 -36.0 38.4 59.7 -7.5 756 202 B I H X S+ 0 0 9 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.955 108.2 52.0 -65.1 -49.6 36.3 57.0 -5.6 757 203 B E H X S+ 0 0 76 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.900 110.6 48.7 -52.0 -45.5 37.1 54.5 -8.3 758 204 B E H X S+ 0 0 76 -4,-2.1 4,-1.7 1,-0.2 3,-0.3 0.904 109.3 53.0 -60.9 -42.8 40.8 55.3 -7.9 759 205 B L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.859 104.6 55.0 -61.9 -37.1 40.4 54.9 -4.1 760 206 B R H X S+ 0 0 56 -4,-2.3 4,-2.8 1,-0.2 10,-0.3 0.856 104.8 54.6 -64.9 -34.6 38.8 51.4 -4.6 761 207 B Q H X S+ 0 0 64 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.913 106.7 50.0 -64.2 -44.0 41.9 50.4 -6.6 762 208 B H H X S+ 0 0 48 -4,-1.7 4,-0.5 2,-0.2 3,-0.3 0.953 114.3 44.8 -56.9 -50.7 44.2 51.4 -3.7 763 209 B L H ><>S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 5,-1.4 0.878 108.1 59.4 -60.3 -40.4 42.0 49.3 -1.4 764 210 B L H ><5S+ 0 0 70 -4,-2.8 3,-2.0 1,-0.3 -1,-0.2 0.880 96.5 60.3 -56.2 -42.0 42.0 46.5 -4.0 765 211 B R H 3<5S+ 0 0 173 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.716 101.9 55.6 -61.3 -18.3 45.8 46.3 -3.8 766 212 B W T <<5S- 0 0 136 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.077 124.0-101.9-103.0 23.0 45.3 45.4 -0.1 767 213 B G T < 5S+ 0 0 69 -3,-2.0 2,-0.9 1,-0.1 -3,-0.2 0.250 87.1 119.7 78.0 -9.7 43.0 42.5 -0.7 768 214 B L < - 0 0 4 -5,-1.4 2,-0.9 -8,-0.1 -2,-0.2 -0.783 51.9-155.2 -96.2 103.0 39.8 44.4 0.2 769 215 B T - 0 0 85 -2,-0.9 -102,-0.2 -5,-0.1 -8,-0.1 -0.660 16.1-169.7 -71.6 105.0 37.3 44.5 -2.8 770 216 B T 0 0 2 -2,-0.9 -6,-0.1 -10,-0.3 -105,-0.1 -0.719 360.0 360.0-103.3 83.4 35.4 47.7 -1.7 771 217 B P 0 0 98 0, 0.0 -107,-0.7 0, 0.0 3,-0.0 -0.094 360.0 360.0 -72.3 360.0 32.3 48.0 -4.0 772 ! 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 0.0 773 230 B M 0 0 113 0, 0.0 3,-0.1 0, 0.0 -110,-0.1 0.000 360.0 360.0 360.0 49.8 29.4 53.4 -7.0 774 231 B G - 0 0 23 1,-0.2 -111,-0.1 -112,-0.1 -151,-0.0 0.203 360.0 -46.1 -53.5 173.7 28.1 53.2 -3.4 775 232 B Y - 0 0 70 -113,-0.2 -113,-1.7 -114,-0.1 2,-0.6 -0.201 60.2-144.4 -48.4 126.1 25.4 55.4 -1.8 776 233 B E E -F 661 0R 50 -115,-0.2 2,-0.3 -3,-0.1 -115,-0.2 -0.915 15.1-167.9-106.9 118.7 26.1 59.1 -2.6 777 234 B L E -F 660 0R 23 -117,-3.1 -117,-2.8 -2,-0.6 3,-0.1 -0.735 13.4-160.5-102.8 147.9 25.4 61.8 -0.0 778 235 B H > + 0 0 60 -2,-0.3 3,-0.8 -119,-0.2 -119,-0.2 -0.722 11.7 176.2-129.2 78.3 25.2 65.6 -0.5 779 236 B P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -121,-0.1 0.643 78.0 65.2 -58.6 -16.3 25.6 67.2 2.9 780 237 B D G 3 S+ 0 0 74 -123,-0.6 -122,-0.1 -122,-0.3 -121,-0.1 0.931 98.1 52.1 -68.5 -47.4 25.6 70.6 1.3 781 238 B K G < S+ 0 0 162 -3,-0.8 2,-0.6 -123,-0.3 -1,-0.2 0.253 86.5 108.2 -75.0 12.0 22.0 70.2 0.1 782 239 B W < + 0 0 64 -3,-0.7 2,-0.4 -4,-0.1 113,-0.0 -0.844 44.6 170.7 -93.3 116.7 21.1 69.3 3.7 783 240 B T - 0 0 120 -2,-0.6 2,-0.1 111,-0.0 -2,-0.0 -0.995 39.2-113.3-132.5 124.3 19.1 72.2 5.2 784 241 B V - 0 0 67 -2,-0.4 111,-0.2 1,-0.1 109,-0.0 -0.384 36.1-128.0 -55.6 120.0 17.3 72.0 8.6 785 242 B Q - 0 0 34 109,-0.7 -1,-0.1 -2,-0.1 69,-0.0 -0.615 24.6-122.0 -75.5 129.1 13.6 72.2 7.8 786 243 B P - 0 0 54 0, 0.0 68,-0.1 0, 0.0 -1,-0.1 0.069 22.9-105.4 -62.2 179.2 11.8 74.9 9.8 787 244 B I - 0 0 3 66,-0.2 67,-0.1 63,-0.1 -2,-0.0 0.796 58.7-132.1 -76.9 -27.0 8.8 74.3 12.1 788 245 B V - 0 0 56 62,-0.1 183,-0.0 1,-0.1 62,-0.0 0.824 16.8-148.3 77.0 114.2 6.6 75.9 9.4 789 246 B L - 0 0 11 1,-0.1 -1,-0.1 61,-0.0 14,-0.0 -0.932 28.0-109.7-110.3 131.6 3.9 78.5 10.1 790 247 B P - 0 0 42 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.124 17.1-146.2 -53.5 169.4 0.8 78.6 8.0 791 248 B E + 0 0 174 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.788 34.2 152.8-143.6 90.3 -0.1 81.2 5.4 792 249 B K - 0 0 81 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 -0.841 44.4-140.7-121.7 159.5 -3.9 81.9 5.1 793 250 B D S S+ 0 0 173 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.963 94.0 25.2 -78.8 -61.7 -6.1 84.9 4.1 794 251 B S S S- 0 0 75 43,-0.1 2,-0.3 41,-0.0 -1,-0.3 -0.806 76.3-155.4-105.3 145.4 -8.7 84.4 6.8 795 252 B W E -I 836 0T 11 41,-0.5 41,-3.2 -2,-0.3 2,-0.2 -0.932 1.4-149.9-122.0 146.1 -8.1 82.6 10.1 796 253 B T E > -I 835 0T 26 -2,-0.3 4,-2.0 39,-0.3 39,-0.2 -0.528 35.0-105.2-101.9 174.5 -10.5 80.8 12.5 797 254 B V H > S+ 0 0 4 37,-1.0 4,-3.5 35,-0.6 3,-0.2 0.969 124.3 54.4 -61.0 -49.7 -10.2 80.5 16.3 798 255 B N H > S+ 0 0 9 34,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.864 108.3 48.2 -48.4 -48.8 -9.1 76.9 15.7 799 256 B D H > S+ 0 0 28 33,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.864 114.6 44.3 -64.0 -41.7 -6.3 78.1 13.4 800 257 B I H X S+ 0 0 0 -4,-2.0 4,-3.7 -3,-0.2 -2,-0.2 0.922 114.6 49.6 -69.5 -43.0 -5.0 80.7 15.8 801 258 B Q H X S+ 0 0 3 -4,-3.5 4,-2.5 2,-0.2 -2,-0.2 0.942 112.1 48.2 -59.3 -46.2 -5.4 78.3 18.7 802 259 B K H X S+ 0 0 85 -4,-3.2 4,-1.7 -5,-0.2 -1,-0.2 0.855 115.5 46.4 -61.2 -35.4 -3.4 75.7 16.6 803 260 B L H X S+ 0 0 3 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.895 110.2 51.0 -73.6 -44.3 -0.9 78.5 15.9 804 261 B V H X S+ 0 0 2 -4,-3.7 4,-3.4 2,-0.2 5,-0.2 0.925 111.4 48.9 -58.3 -48.1 -0.6 79.7 19.5 805 262 B G H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.938 112.0 48.6 -55.3 -52.1 0.0 76.1 20.7 806 263 B K H X S+ 0 0 23 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.866 117.2 40.4 -55.7 -48.1 2.7 75.5 18.0 807 264 B L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.898 109.8 59.0 -71.1 -42.1 4.5 78.8 18.8 808 265 B N H < S+ 0 0 33 -4,-3.4 4,-0.3 -5,-0.2 -2,-0.2 0.891 112.3 42.5 -52.2 -42.3 4.1 78.3 22.6 809 266 B W H >< S+ 0 0 13 -4,-2.2 3,-2.9 -5,-0.2 4,-0.3 0.983 111.5 51.2 -68.2 -58.7 6.0 75.1 22.1 810 267 B A H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 3,-2.0 0.742 97.2 71.2 -51.1 -29.5 8.7 76.5 19.7 811 268 B S T 3< S+ 0 0 49 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.694 88.4 63.0 -61.5 -21.5 9.3 79.3 22.3 812 269 B Q T <4 S+ 0 0 113 -3,-2.9 -1,-0.3 -4,-0.3 -2,-0.2 0.679 114.8 32.1 -75.4 -19.4 10.9 76.6 24.5 813 270 B I T <4 S+ 0 0 15 -3,-2.0 -2,-0.2 -4,-0.3 -3,-0.1 0.861 121.9 41.7-100.2 -60.0 13.5 76.2 21.7 814 271 B Y >< - 0 0 11 -4,-2.4 3,-1.2 1,-0.1 -1,-0.3 -0.870 68.5-158.6 -98.3 114.1 14.0 79.6 20.1 815 272 B P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.874 82.1 69.4 -60.8 -41.8 14.1 82.4 22.7 816 273 B G T 3 S+ 0 0 36 36,-0.0 2,-0.1 33,-0.0 -5,-0.1 0.481 73.7 122.6 -57.0 -7.6 13.2 85.3 20.4 817 274 B I < - 0 0 16 -3,-1.2 2,-0.3 -6,-0.1 28,-0.0 -0.346 41.0-169.4 -66.8 137.4 9.6 84.0 20.0 818 275 B K + 0 0 110 27,-0.2 31,-0.1 1,-0.1 -2,-0.0 -0.914 20.9 163.1-124.4 149.5 6.6 86.2 20.9 819 276 B V > + 0 0 35 -2,-0.3 4,-2.9 3,-0.1 5,-0.2 0.356 50.2 99.4-144.7 -4.4 2.9 85.2 21.2 820 277 B R H > S+ 0 0 209 1,-0.2 4,-1.7 2,-0.2 22,-0.1 0.887 86.3 48.6 -58.3 -41.4 1.3 88.1 23.2 821 278 B Q H > S+ 0 0 57 2,-0.2 4,-0.5 1,-0.2 21,-0.3 0.900 114.8 44.4 -66.3 -44.1 -0.1 89.8 20.2 822 279 B L H >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.6 0.937 110.9 53.7 -65.4 -48.2 -1.6 86.6 18.7 823 280 B C H >< S+ 0 0 10 -4,-2.9 3,-1.1 1,-0.3 -280,-0.3 0.817 96.5 67.9 -55.9 -34.8 -3.0 85.5 22.1 824 281 B K H 3< S+ 0 0 109 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.795 95.3 57.3 -55.5 -30.1 -4.8 88.9 22.3 825 282 B L H << S+ 0 0 18 -3,-1.8 2,-1.4 -4,-0.5 -1,-0.3 0.814 94.7 69.5 -69.2 -33.9 -6.9 87.7 19.4 826 283 B L S << S+ 0 0 6 -3,-1.1 -283,-4.1 -4,-0.6 2,-0.4 -0.619 70.5 129.5 -89.3 74.7 -8.1 84.6 21.4 827 284 B R + 0 0 127 -2,-1.4 2,-0.1 -285,-0.2 -285,-0.1 -0.978 50.0 22.1-137.8 123.1 -10.3 86.3 24.0 828 285 B G S S- 0 0 28 -2,-0.4 2,-1.3 2,-0.1 -282,-0.1 -0.349 98.1 -68.8 108.8 167.6 -13.8 85.3 25.0 829 286 B T + 0 0 26 -2,-0.1 -367,-0.2 -370,-0.1 2,-0.2 -0.612 69.7 168.3 -94.3 75.5 -15.6 82.0 24.5 830 287 B K - 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0 0 96 0, 0.0 2,-0.2 0, 0.0 37,-0.0 0.897 56.8 -84.9 -46.4-106.7 19.3 77.7 13.1 857 314 B V > - 0 0 23 3,-0.1 3,-1.0 33,-0.0 2,-0.2 -0.599 34.1-126.0-177.3 110.2 18.7 78.0 16.9 858 315 B H T 3 S+ 0 0 161 1,-0.2 3,-0.1 -2,-0.2 -3,-0.0 -0.455 89.4 22.4 -66.6 132.5 20.8 80.2 19.1 859 316 B G T 3 S+ 0 0 52 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.017 86.0 114.7 104.8 -27.5 22.3 78.4 22.1 860 317 B V < + 0 0 25 -3,-1.0 2,-0.3 31,-0.1 -1,-0.2 -0.685 36.7 168.7 -83.7 128.8 22.4 74.8 21.1 861 318 B Y - 0 0 176 -2,-0.4 2,-0.2 -3,-0.1 31,-0.1 -0.998 39.7-103.8-140.5 140.6 25.9 73.3 20.6 862 319 B Y - 0 0 67 -2,-0.3 6,-0.0 30,-0.1 3,-0.0 -0.456 30.3-160.2 -64.2 125.1 27.1 69.7 20.2 863 320 B D > - 0 0 57 -2,-0.2 3,-2.0 1,-0.1 -1,-0.1 -0.915 6.4-158.8-109.4 106.5 28.6 68.4 23.4 864 321 B P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.612 90.1 61.5 -59.0 -14.6 30.9 65.4 22.6 865 322 B S T 3 S+ 0 0 99 2,-0.1 2,-0.3 -3,-0.0 -3,-0.0 0.672 98.3 70.9 -83.8 -18.8 30.6 64.1 26.2 866 323 B K S < S- 0 0 71 -3,-2.0 -3,-0.1 1,-0.1 2,-0.1 -0.714 86.2-107.1-104.0 152.2 26.8 63.6 25.9 867 324 B D - 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