==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-OCT-12 2YNG . COMPND 2 MOLECULE: REVERSE TRANSCRIPTASE/RIBONUCLEASE H; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M\:B_HXB2R; . AUTHOR P.CHONG,P.SEBAHAR,M.YOUNGMAN,D.GARRIDO,H.ZHANG,E.L.STEWART,R . 971 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 601 61.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 13.4 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 . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 0 3 3 1 1 1 1 0 1 0 2 2 2 3 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 . 6 2 5 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 N 0 0 146 0, 0.0 46,-0.0 0, 0.0 42,-0.0 0.000 360.0 360.0 360.0-109.0 -29.8 78.3 36.0 2 0 A S - 0 0 25 1,-0.2 214,-0.0 44,-0.1 113,-0.0 -0.564 360.0 -86.9-113.9 161.3 -29.6 76.2 32.8 3 1 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.153 27.0-144.4 -55.4 152.4 -31.8 74.5 30.3 4 2 A I - 0 0 61 212,-0.1 116,-0.2 146,-0.0 115,-0.1 -0.996 36.8-104.7-115.2 127.4 -33.2 71.0 30.8 5 3 A S - 0 0 5 114,-3.4 210,-0.2 -2,-0.5 209,-0.1 -0.246 13.9-143.2 -55.1 135.4 -33.4 69.2 27.4 6 4 A P + 0 0 91 0, 0.0 -1,-0.1 0, 0.0 209,-0.1 0.291 60.4 130.7 -78.5 13.1 -36.9 68.8 25.9 7 5 A I S S- 0 0 14 207,-0.3 158,-0.1 1,-0.1 207,-0.0 -0.337 70.5 -93.7 -62.3 148.8 -35.7 65.3 24.6 8 6 A E - 0 0 166 1,-0.1 2,-0.2 157,-0.1 -1,-0.1 -0.275 45.9-114.8 -57.9 145.1 -38.0 62.4 25.3 9 7 A T - 0 0 43 113,-0.1 113,-0.1 -3,-0.1 -1,-0.1 -0.478 19.4-117.8 -82.1 157.5 -37.1 60.5 28.5 10 8 A V - 0 0 11 111,-0.3 113,-0.4 -2,-0.2 2,-0.2 -0.833 32.0-119.1 -90.5 128.6 -35.8 56.9 28.6 11 9 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 599,-0.1 -0.519 35.1-164.8 -69.5 138.2 -38.2 54.6 30.5 12 10 A V - 0 0 10 -2,-0.2 2,-0.3 74,-0.0 598,-0.0 -0.978 7.5-168.4-129.2 137.0 -36.4 53.1 33.5 13 11 A K - 0 0 152 -2,-0.4 74,-2.4 597,-0.1 2,-0.2 -0.835 22.9-120.5-119.5 157.4 -37.4 50.1 35.7 14 12 A L B -A 86 0A 21 -2,-0.3 72,-0.3 72,-0.2 3,-0.1 -0.523 55.0 -80.1 -77.6 163.3 -36.2 48.7 39.0 15 13 A K > - 0 0 58 70,-2.7 3,-2.0 -2,-0.2 -1,-0.1 -0.386 68.1 -77.3 -64.4 147.3 -34.9 45.1 38.9 16 14 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.105 114.8 8.9 -53.6 141.0 -37.8 42.6 38.9 17 15 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.182 102.9 115.3 78.6 -17.1 -39.5 41.9 42.2 18 16 A M < - 0 0 86 -3,-2.0 -1,-0.2 67,-0.1 2,-0.2 -0.620 50.8-151.1 -93.9 147.5 -37.7 44.8 44.0 19 17 A D - 0 0 71 -2,-0.3 -4,-0.1 1,-0.2 3,-0.1 -0.510 35.8 -78.3-101.9 171.8 -39.2 47.9 45.4 20 18 A G - 0 0 2 -2,-0.2 -1,-0.2 1,-0.1 2,-0.1 -0.170 57.9 -82.3 -65.7 166.0 -37.6 51.4 45.8 21 19 A P - 0 0 0 0, 0.0 38,-2.2 0, 0.0 -1,-0.1 -0.432 34.5-175.9 -72.0 146.9 -35.2 52.3 48.5 22 20 A K B +b 59 0B 123 36,-0.3 2,-0.4 -2,-0.1 38,-0.2 -0.580 19.9 162.9-140.7 69.2 -36.3 53.3 52.0 23 21 A V - 0 0 47 36,-3.0 58,-0.0 -2,-0.1 0, 0.0 -0.808 39.3-114.3-102.2 129.3 -33.2 54.2 53.8 24 22 A K - 0 0 180 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 -0.268 21.7-126.6 -66.3 139.0 -33.5 56.3 57.0 25 23 A Q - 0 0 13 36,-0.1 -1,-0.1 35,-0.1 3,-0.1 -0.816 23.7-137.7 -83.2 124.1 -32.1 59.8 57.1 26 24 A W - 0 0 207 -2,-0.6 36,-0.1 36,-0.2 113,-0.1 -0.470 32.0 -91.1 -75.5 147.8 -29.7 60.3 60.0 27 25 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.326 47.0-154.0 -60.2 145.1 -29.9 63.6 62.1 28 26 A L - 0 0 21 108,-0.3 110,-0.5 -3,-0.1 111,-0.2 -0.871 21.4 -94.2-122.4 154.0 -27.7 66.4 60.8 29 27 A T > - 0 0 76 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.253 37.8-114.2 -58.2 151.5 -26.0 69.4 62.3 30 28 A E H > S+ 0 0 129 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.868 118.1 56.4 -53.8 -40.7 -27.9 72.7 62.0 31 29 A E H > S+ 0 0 113 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 108.4 44.1 -57.0 -49.8 -25.1 73.9 59.8 32 30 A K H > S+ 0 0 43 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.927 113.2 52.5 -65.7 -42.0 -25.5 71.1 57.3 33 31 A I H X S+ 0 0 17 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.934 110.1 47.8 -59.2 -48.4 -29.3 71.4 57.4 34 32 A K H X S+ 0 0 145 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.917 111.2 51.6 -59.1 -44.6 -29.1 75.2 56.6 35 33 A A H X S+ 0 0 8 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.948 110.6 48.1 -56.7 -48.8 -26.6 74.4 53.7 36 34 A L H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.3 0.860 108.1 53.7 -64.5 -36.1 -29.0 71.8 52.2 37 35 A V H X S+ 0 0 52 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.938 111.7 46.0 -64.6 -44.7 -32.0 74.1 52.4 38 36 A E H X S+ 0 0 130 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.939 115.6 46.2 -61.3 -46.8 -30.2 76.8 50.5 39 37 A I H X S+ 0 0 39 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.950 115.9 44.3 -60.9 -49.7 -28.8 74.3 47.9 40 38 A C H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.869 108.2 57.5 -70.8 -36.0 -32.2 72.6 47.4 41 39 A T H X S+ 0 0 42 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.953 111.7 43.0 -53.8 -47.9 -34.1 75.9 47.2 42 40 A E H X S+ 0 0 101 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 113.2 50.9 -70.4 -41.6 -31.9 77.0 44.3 43 41 A M H <>S+ 0 0 17 -4,-2.4 5,-1.8 2,-0.2 6,-0.8 0.876 110.3 50.7 -61.0 -39.3 -32.0 73.5 42.6 44 42 A E H ><5S+ 0 0 64 -4,-2.7 3,-1.7 4,-0.2 -2,-0.2 0.924 108.8 50.8 -64.6 -45.0 -35.8 73.6 42.9 45 43 A K H 3<5S+ 0 0 153 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.843 109.3 52.0 -58.1 -34.4 -35.9 77.1 41.3 46 44 A E T 3<5S- 0 0 39 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.349 118.0-114.6 -86.3 4.9 -33.7 75.8 38.5 47 45 A G T < 5S+ 0 0 28 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.401 84.4 117.7 78.8 0.5 -36.1 72.9 37.8 48 46 A K S - 0 0 15 -2,-0.3 3,-0.8 91,-0.1 -1,-0.0 -0.302 38.0 -85.0-105.9-171.3 -44.9 65.0 50.5 54 52 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.473 111.6 85.2 -68.4 -4.5 -45.1 62.2 53.0 55 53 A E T 3 S+ 0 0 155 2,-0.0 -3,-0.0 0, 0.0 0, 0.0 0.887 74.2 75.3 -65.6 -39.9 -47.2 60.4 50.4 56 54 A N < - 0 0 22 -3,-0.8 -4,-0.0 1,-0.1 73,-0.0 -0.639 67.8-164.7 -73.5 121.1 -43.9 59.1 48.7 57 55 A P + 0 0 74 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.407 53.0 103.2 -90.1 2.1 -42.5 56.3 50.9 58 56 A Y + 0 0 25 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.470 44.1 176.2 -88.7 153.3 -39.0 56.2 49.4 59 57 A N B -b 22 0B 16 -38,-2.2 -36,-3.0 -2,-0.1 73,-0.2 -0.917 18.7-176.2-159.7 138.6 -35.8 57.6 50.8 60 58 A T B -d 132 0C 0 71,-1.4 73,-0.5 -2,-0.3 19,-0.1 -0.973 41.9-102.8-122.8 139.5 -32.1 57.9 50.1 61 59 A P - 0 0 25 0, 0.0 17,-1.8 0, 0.0 2,-0.3 -0.297 32.7-154.7 -64.5 148.8 -29.8 59.6 52.7 62 60 A V E +F 77 0D 3 71,-0.3 2,-0.3 15,-0.2 15,-0.2 -0.921 13.1 178.2-122.0 151.2 -28.5 63.1 52.1 63 61 A F E -F 76 0D 94 13,-2.1 13,-3.2 -2,-0.3 2,-0.4 -0.941 18.1-143.0-144.1 160.3 -25.3 64.8 53.4 64 62 A A E -F 75 0D 0 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.999 16.0-171.8-129.2 137.1 -23.6 68.1 53.1 65 63 A I E +F 74 0D 55 9,-2.3 9,-1.9 -2,-0.4 2,-0.4 -0.995 9.4 179.9-131.7 130.8 -19.8 68.6 52.9 66 64 A K - 0 0 82 -2,-0.4 7,-0.1 7,-0.2 4,-0.1 -0.973 32.4-122.2-127.5 118.0 -17.7 71.8 53.0 67 65 A K > - 0 0 102 5,-0.4 3,-0.7 -2,-0.4 5,-0.0 -0.111 26.7-109.9 -56.5 156.1 -13.9 71.4 52.9 68 66 A K T 3 S+ 0 0 115 1,-0.3 2,-0.4 3,-0.0 -1,-0.1 0.809 114.3 38.5 -63.4 -39.1 -11.8 72.8 55.8 69 67 A D T 3 S+ 0 0 106 2,-0.0 2,-0.3 0, 0.0 -1,-0.3 -0.539 110.2 78.8-109.5 62.2 -10.2 75.8 53.9 70 68 A S < - 0 0 52 -3,-0.7 -4,-0.0 -2,-0.4 3,-0.0 -0.983 59.3-153.4-166.5 151.4 -13.3 76.6 51.9 71 69 A T + 0 0 133 -2,-0.3 2,-0.6 2,-0.1 -1,-0.1 0.473 66.4 101.2-111.5 -7.8 -16.7 78.4 52.0 72 70 A K - 0 0 65 -5,-0.0 -5,-0.4 2,-0.0 2,-0.2 -0.730 57.6-153.0 -89.3 116.5 -18.7 76.4 49.3 73 71 A W - 0 0 67 -2,-0.6 2,-0.4 -7,-0.1 -7,-0.2 -0.583 8.2-162.2 -80.4 148.0 -21.1 73.7 50.5 74 72 A R E -F 65 0D 127 -9,-1.9 -9,-2.3 -2,-0.2 2,-0.4 -0.985 14.8-130.4-129.7 144.9 -22.0 70.7 48.4 75 73 A K E -F 64 0D 29 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.749 20.3-163.4 -89.2 136.5 -24.9 68.3 48.7 76 74 A L E -F 63 0D 65 -13,-3.2 -13,-2.1 -2,-0.4 2,-0.5 -0.976 3.5-166.5-121.6 121.5 -24.1 64.6 48.6 77 75 A V E -F 62 0D 29 -2,-0.5 2,-1.1 -15,-0.2 -15,-0.2 -0.912 15.4-143.8-105.7 131.5 -26.7 62.0 47.9 78 76 A D > + 0 0 58 -17,-1.8 3,-0.6 -2,-0.5 4,-0.2 -0.740 24.2 173.1 -93.6 87.8 -25.8 58.4 48.7 79 77 A F T 3> + 0 0 6 -2,-1.1 4,-2.8 1,-0.2 77,-0.2 0.186 40.4 116.4 -84.2 19.7 -27.6 56.4 45.9 80 78 A R H 3> S+ 0 0 177 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 78.7 44.6 -54.4 -41.4 -26.0 53.1 46.8 81 79 A E H <> S+ 0 0 55 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.951 114.0 46.4 -75.8 -48.8 -29.4 51.5 47.6 82 80 A L H >> S+ 0 0 0 -4,-0.2 4,-1.0 1,-0.2 3,-0.6 0.897 111.8 55.1 -55.1 -38.9 -31.3 52.8 44.6 83 81 A N H >< S+ 0 0 40 -4,-2.8 3,-0.7 1,-0.3 -2,-0.2 0.912 103.9 52.8 -63.3 -45.7 -28.4 51.7 42.4 84 82 A K H 3< S+ 0 0 118 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.737 116.4 40.9 -55.9 -28.7 -28.6 48.2 43.8 85 83 A R H << S+ 0 0 67 -4,-1.1 -70,-2.7 -3,-0.6 2,-0.3 0.476 94.0 98.4-102.6 -9.2 -32.3 48.1 42.9 86 84 A T B << S-A 14 0A 0 -4,-1.0 -72,-0.2 -3,-0.7 3,-0.1 -0.626 81.1-101.2 -81.1 141.4 -32.1 49.9 39.5 87 85 A Q - 0 0 24 -74,-2.4 2,-0.2 -2,-0.3 -1,-0.1 -0.059 40.1 -97.6 -47.6 156.7 -32.1 47.8 36.2 88 86 A D - 0 0 61 522,-0.1 2,-0.3 -74,-0.1 -1,-0.1 -0.500 41.7-152.4 -71.3 147.8 -28.9 47.1 34.4 89 87 A F - 0 0 27 -2,-0.2 521,-0.2 523,-0.1 2,-0.2 -0.796 28.6 -82.6-116.6 165.1 -28.2 49.3 31.4 90 88 A W - 0 0 65 519,-2.2 523,-0.1 -2,-0.3 524,-0.0 -0.459 60.7 -96.6 -60.8 135.4 -26.4 48.9 28.1 91 89 A E - 0 0 141 521,-0.2 3,-0.2 -2,-0.2 -1,-0.1 -0.269 28.4-133.4 -60.3 144.0 -22.7 49.5 28.7 92 90 A V S S+ 0 0 50 1,-0.2 2,-0.4 -3,-0.1 -1,-0.1 0.921 81.0 5.9 -71.6 -48.0 -21.6 53.1 27.9 93 91 A Q - 0 0 57 604,-0.1 -1,-0.2 1,-0.1 3,-0.1 -0.984 48.6-155.6-143.3 129.7 -18.4 52.4 25.8 94 92 A L S S- 0 0 106 -2,-0.4 2,-0.3 -3,-0.2 -1,-0.1 0.531 84.7 -24.7 -73.3 -9.9 -16.9 49.1 24.6 95 93 A G S S- 0 0 27 599,-0.1 -1,-0.1 598,-0.0 0, 0.0 -0.944 71.4 -96.8 177.3 173.4 -13.4 50.9 24.4 96 94 A I - 0 0 77 -2,-0.3 599,-0.1 -3,-0.1 598,-0.1 -0.880 45.3 -92.0-113.8 150.7 -11.8 54.3 24.1 97 95 A P - 0 0 10 0, 0.0 597,-0.1 0, 0.0 287,-0.1 -0.308 33.4-141.5 -57.1 131.6 -10.5 56.0 21.0 98 96 A H > - 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0 0 4 74,-2.6 3,-0.6 -2,-0.4 2,-0.3 -0.678 24.5-127.2 -82.4 127.8 -21.3 70.0 27.8 114 112 A G T 3 S- 0 0 22 103,-1.8 103,-0.4 -2,-0.4 5,-0.1 -0.586 83.4 -9.3 -77.7 132.8 -21.9 72.0 31.0 115 113 A D T 3> S- 0 0 95 -2,-0.3 4,-0.6 3,-0.1 -1,-0.3 0.924 83.5-177.7 47.8 57.1 -23.7 70.3 33.9 116 114 A A T X4 S+ 0 0 4 -3,-0.6 3,-1.6 1,-0.2 35,-0.1 0.921 70.3 42.7 -59.9 -56.9 -24.4 67.4 31.5 117 115 A Y G >4 S+ 0 0 44 1,-0.3 3,-1.8 2,-0.2 34,-1.1 0.893 111.2 56.5 -58.3 -39.1 -26.5 65.1 33.7 118 116 A F G 34 S+ 0 0 34 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.565 100.0 60.5 -74.8 -7.4 -28.5 68.0 35.2 119 117 A S G << S+ 0 0 0 -3,-1.6 -114,-3.4 -4,-0.6 -1,-0.3 0.288 92.3 79.0 -98.4 7.3 -29.6 69.0 31.6 120 118 A V S < S- 0 0 3 -3,-1.8 31,-1.7 -116,-0.2 2,-0.1 -0.971 80.6-124.2-119.0 131.0 -31.3 65.7 30.9 121 119 A P B -I 150 0F 14 0, 0.0 2,-0.4 0, 0.0 -111,-0.3 -0.430 19.5-130.9 -72.8 147.8 -34.8 64.9 32.2 122 120 A L - 0 0 1 27,-2.2 5,-0.1 -113,-0.1 -113,-0.1 -0.786 38.5 -86.9 -96.0 138.7 -35.4 61.8 34.2 123 121 A D >> - 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0 0 32 3,-2.5 3,-0.2 -2,-0.7 -2,-0.0 -0.589 46.1 -93.8 -99.9 169.2 -1.3 68.1 18.2 238 236 A P S S+ 0 0 83 0, 0.0 -133,-0.2 0, 0.0 3,-0.1 0.785 119.5 9.3 -53.9 -34.7 -2.4 69.2 14.7 239 237 A D S S+ 0 0 96 1,-0.1 81,-0.4 -135,-0.1 2,-0.3 0.312 129.9 33.5-131.9 10.0 -0.2 66.6 12.9 240 238 A K - 0 0 61 -3,-0.2 -3,-2.5 79,-0.2 2,-0.3 -0.966 56.1-155.3-152.2 167.0 1.1 64.3 15.6 241 239 A W E +KL 236 318G 0 77,-2.2 77,-3.4 -2,-0.3 2,-0.3 -0.976 16.0 161.7-140.3 159.9 0.3 62.8 19.0 242 240 A T E -K 235 0G 5 -7,-2.0 -7,-3.1 -2,-0.3 2,-0.2 -0.931 42.4 -80.1-156.0-177.3 2.2 61.4 21.9 243 241 A V E -K 234 0G 4 73,-0.3 -9,-0.3 -2,-0.3 3,-0.2 -0.614 55.7 -97.8 -85.4 151.7 1.9 60.5 25.5 244 242 A Q - 0 0 58 -11,-1.8 -1,-0.1 -2,-0.2 -9,-0.1 -0.259 66.4 -60.3 -67.4 162.9 2.0 63.2 28.1 245 243 A P - 0 0 106 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.134 52.6-142.7 -53.4 131.9 5.4 63.8 29.8 246 244 A I - 0 0 39 -3,-0.2 2,-0.8 66,-0.1 -3,-0.0 -0.859 9.0-158.7 -98.9 115.5 6.7 60.7 31.6 247 245 A V - 0 0 104 -2,-0.7 18,-0.1 1,-0.0 0, 0.0 -0.826 4.9-168.9 -93.0 105.9 8.5 61.5 34.9 248 246 A L - 0 0 20 -2,-0.8 -2,-0.0 17,-0.1 14,-0.0 -0.827 23.9-134.4 -92.2 100.5 10.8 58.5 35.9 249 247 A P - 0 0 44 0, 0.0 2,-0.5 0, 0.0 13,-0.0 -0.050 0.9-134.8 -56.2 148.5 11.9 59.3 39.5 250 248 A E + 0 0 111 0, 0.0 2,-0.3 0, 0.0 0, 0.0 -0.944 37.8 171.0 -96.9 126.0 15.5 58.9 40.7 251 249 A K - 0 0 90 -2,-0.5 3,-0.2 1,-0.1 0, 0.0 -0.999 42.0-149.8-140.4 140.0 15.4 57.2 44.1 252 250 A D S S+ 0 0 169 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.933 97.2 29.3 -64.5 -48.3 17.9 55.7 46.6 253 251 A S S S- 0 0 67 43,-0.1 2,-0.6 41,-0.0 -1,-0.2 -0.963 75.8-149.5-124.8 119.7 15.2 53.1 47.7 254 252 A W - 0 0 13 -2,-0.5 41,-2.4 41,-0.4 2,-0.2 -0.770 10.5-155.7 -92.1 122.2 12.4 51.8 45.6 255 253 A T B > -M 294 0H 24 -2,-0.6 4,-2.5 39,-0.3 39,-0.2 -0.510 31.5-112.7 -82.2 160.4 9.2 50.8 47.3 256 254 A V H > S+ 0 0 8 37,-1.7 4,-3.1 2,-0.2 5,-0.2 0.936 123.5 54.2 -56.6 -45.1 6.9 48.2 45.7 257 255 A N H > S+ 0 0 71 34,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.926 108.8 48.1 -50.0 -48.1 4.5 51.2 45.3 258 256 A D H > S+ 0 0 21 33,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.913 113.4 47.2 -62.0 -42.6 7.2 53.1 43.4 259 257 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.882 110.9 50.5 -68.8 -42.2 8.0 50.1 41.2 260 258 A Q H X S+ 0 0 104 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.939 112.2 47.9 -59.8 -46.6 4.3 49.4 40.4 261 259 A K H X S+ 0 0 110 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.893 111.9 50.6 -63.0 -38.8 3.9 53.1 39.4 262 260 A L H X S+ 0 0 4 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.953 109.7 48.7 -61.5 -51.4 7.1 53.0 37.3 263 261 A V H X S+ 0 0 11 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.903 110.5 52.4 -59.3 -42.2 6.0 49.9 35.4 264 262 A G H X S+ 0 0 38 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.941 111.8 45.4 -57.2 -48.0 2.6 51.5 34.7 265 263 A K H X S+ 0 0 79 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.918 113.4 49.5 -62.4 -44.6 4.3 54.6 33.3 266 264 A L H X S+ 0 0 0 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.922 110.7 50.8 -61.1 -43.3 6.7 52.5 31.2 267 265 A N H < S+ 0 0 59 -4,-3.2 4,-0.3 -5,-0.2 -2,-0.2 0.912 111.1 48.4 -59.2 -42.2 3.7 50.4 29.9 268 266 A W H >< S+ 0 0 92 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.916 110.5 51.9 -63.2 -42.0 1.9 53.6 29.0 269 267 A A H >X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-1.9 0.808 93.4 74.9 -62.5 -30.5 5.1 54.9 27.3 270 268 A S T 3< S+ 0 0 14 -4,-1.6 -1,-0.2 1,-0.3 5,-0.2 0.583 76.6 75.5 -65.8 -12.1 5.4 51.8 25.2 271 269 A Q T <4 S+ 0 0 21 -3,-1.2 82,-2.2 -4,-0.3 -1,-0.3 0.601 121.2 6.0 -79.0 -8.5 2.6 52.7 22.8 272 270 A I T <4 S+ 0 0 0 -3,-1.9 -2,-0.2 80,-0.2 -1,-0.1 0.492 113.2 80.2-139.9 -25.4 4.8 55.2 21.1 273 271 A Y S >< S- 0 0 23 -4,-2.7 3,-1.0 80,-0.1 -1,-0.2 -0.786 81.3-131.0 -87.0 114.8 8.4 54.9 22.5 274 272 A P T 3 S+ 0 0 53 0, 0.0 -3,-0.1 0, 0.0 81,-0.1 -0.310 77.9 13.8 -69.9 143.9 9.9 51.9 20.7 275 273 A G T 3 S+ 0 0 13 79,-0.3 2,-0.1 1,-0.2 36,-0.1 0.597 74.0 163.8 75.9 14.5 11.7 49.1 22.6 276 274 A I < - 0 0 2 -3,-1.0 2,-0.4 -6,-0.1 -1,-0.2 -0.447 20.6-159.5 -58.9 134.3 10.5 50.0 26.1 277 275 A K + 0 0 40 27,-0.2 31,-0.1 -2,-0.1 4,-0.1 -0.961 29.1 165.2-120.1 145.5 11.1 46.9 28.4 278 276 A V > + 0 0 14 -2,-0.4 4,-3.1 2,-0.1 5,-0.2 0.318 47.3 106.4-132.7 4.7 9.6 46.1 31.8 279 277 A R H > S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.900 84.9 40.4 -58.3 -50.1 10.5 42.4 32.3 280 278 A Q H > S+ 0 0 29 2,-0.2 4,-1.2 1,-0.2 21,-0.2 0.899 116.5 50.5 -69.7 -39.8 13.1 42.8 35.0 281 279 A L H >> S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.923 110.7 50.3 -60.9 -43.3 11.2 45.5 36.8 282 280 A C H >< S+ 0 0 53 -4,-3.1 3,-1.4 1,-0.2 4,-0.5 0.896 102.0 61.4 -64.2 -39.2 8.1 43.2 36.7 283 281 A K H >< S+ 0 0 116 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.842 97.2 60.0 -52.8 -36.4 10.1 40.2 38.1 284 282 A L H << S+ 0 0 22 -4,-1.2 3,-0.5 -3,-0.5 -1,-0.3 0.794 101.1 54.3 -63.7 -28.0 10.8 42.4 41.2 285 283 A L T << S+ 0 0 53 -3,-1.4 -1,-0.2 -4,-0.6 -2,-0.2 0.536 80.7 91.9 -84.3 -5.9 7.0 42.6 41.9 286 284 A R S < S+ 0 0 87 -3,-1.2 -1,-0.2 -4,-0.5 -2,-0.1 0.302 73.3 87.2 -74.3 11.1 6.6 38.7 41.8 287 285 A G S S- 0 0 53 -3,-0.5 -2,-0.0 2,-0.1 -3,-0.0 0.029 84.1-117.9 -89.6-157.1 7.1 38.6 45.6 288 286 A T S S+ 0 0 149 2,-0.1 2,-0.1 -2,-0.0 -3,-0.1 0.295 75.2 105.6-133.6 3.6 4.5 39.0 48.4 289 287 A K - 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