==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 29-JUL-98 1RT4 . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_HXB2R; . AUTHOR J.REN,D.K.STAMMERS,D.I.STUART . 941 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46932.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 603 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 146 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 8 0.9 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 . 1 0.1 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 . 50 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 25.8 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 2 0 3 2 1 0 1 0 1 1 2 1 4 1 0 1 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 . 7 4 5 2 2 3 3 3 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 . 5 0 5 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 83 0, 0.0 2,-0.2 0, 0.0 210,-0.1 0.000 360.0 360.0 360.0 139.4 3.7 -50.1 48.5 2 2 A I - 0 0 82 42,-0.2 116,-0.2 208,-0.1 115,-0.1 -0.498 360.0-135.5 -89.6 163.1 7.4 -50.6 47.7 3 3 A S - 0 0 11 114,-1.9 2,-1.2 -2,-0.2 206,-0.1 -0.893 14.4-124.1-124.1 153.9 8.8 -51.9 44.3 4 4 A P + 0 0 101 0, 0.0 2,-0.4 0, 0.0 114,-0.1 -0.398 62.1 135.3 -90.0 57.4 11.4 -54.5 43.2 5 5 A I - 0 0 34 -2,-1.2 -2,-0.1 203,-0.1 2,-0.1 -0.850 64.3 -98.4-111.0 145.3 13.5 -52.1 41.0 6 6 A E - 0 0 171 -2,-0.4 2,-0.1 1,-0.1 115,-0.1 -0.354 42.8-125.7 -57.0 125.4 17.3 -51.7 40.9 7 7 A T - 0 0 25 113,-0.1 113,-0.1 -2,-0.1 -1,-0.1 -0.484 19.5-119.9 -75.7 146.9 18.3 -48.7 43.0 8 8 A V - 0 0 21 111,-0.4 2,-0.4 -2,-0.1 113,-0.3 -0.787 29.6-113.2 -90.0 128.0 20.3 -46.0 41.4 9 9 A P - 0 0 75 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.470 40.2-176.7 -63.1 114.5 23.8 -45.5 43.0 10 10 A V + 0 0 7 -2,-0.4 2,-0.3 74,-0.0 114,-0.2 -0.968 4.8 178.2-121.3 129.9 23.8 -42.0 44.6 11 11 A K - 0 0 140 -2,-0.4 74,-1.4 577,-0.1 2,-0.1 -0.897 32.5-105.9-126.9 156.7 26.8 -40.4 46.4 12 12 A L B -A 84 0A 17 -2,-0.3 72,-0.2 72,-0.2 3,-0.2 -0.480 55.9 -81.7 -77.0 151.6 27.4 -37.1 48.0 13 13 A K > - 0 0 58 70,-1.9 3,-2.1 1,-0.2 -1,-0.1 -0.222 67.1 -77.1 -52.9 142.2 29.6 -34.6 46.1 14 14 A P T 3 S+ 0 0 132 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.150 116.3 13.9 -46.8 123.7 33.4 -35.3 46.5 15 15 A G T 3 S+ 0 0 89 1,-0.3 2,-0.2 -3,-0.2 -2,-0.1 0.273 101.2 107.7 95.1 -10.8 34.6 -34.1 49.9 16 16 A M < - 0 0 92 -3,-2.1 2,-0.3 67,-0.2 -1,-0.3 -0.597 49.8-151.1-102.5 163.6 31.4 -33.5 51.7 17 17 A D - 0 0 69 -2,-0.2 -4,-0.1 1,-0.1 66,-0.0 -0.904 32.7 -74.4-129.3 158.7 29.6 -35.3 54.5 18 18 A G - 0 0 4 -2,-0.3 -1,-0.1 1,-0.1 110,-0.1 0.115 59.6 -76.9 -49.1 162.0 25.9 -35.8 55.6 19 19 A P + 0 0 1 0, 0.0 38,-1.2 0, 0.0 -1,-0.1 -0.176 38.4 177.5 -61.8 148.6 23.6 -33.2 57.3 20 20 A K B +b 57 0B 124 36,-0.3 2,-0.2 2,-0.0 38,-0.1 -0.513 23.8 146.7-154.0 69.3 23.9 -32.4 61.0 21 21 A V - 0 0 45 36,-1.8 2,-0.1 1,-0.1 0, 0.0 -0.697 49.4 -91.3-108.3 164.3 21.3 -29.6 61.8 22 22 A K - 0 0 152 -2,-0.2 2,-0.5 1,-0.1 -1,-0.1 -0.346 32.0-125.9 -73.9 151.7 19.3 -28.9 65.0 23 23 A Q - 0 0 42 36,-0.1 -1,-0.1 -2,-0.1 109,-0.0 -0.885 27.1-123.4-101.7 123.7 15.8 -30.3 65.6 24 24 A W - 0 0 133 -2,-0.5 2,-0.3 36,-0.2 36,-0.1 -0.255 23.8-111.9 -64.3 147.5 13.2 -27.7 66.4 25 25 A P - 0 0 115 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.628 41.8-159.9 -79.3 140.9 11.2 -28.0 69.7 26 26 A L - 0 0 14 108,-0.3 2,-0.1 -2,-0.3 35,-0.0 -0.834 20.1 -99.8-126.1 164.0 7.5 -28.8 69.0 27 27 A T > - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.364 39.7-111.9 -70.9 157.8 4.1 -28.7 70.6 28 28 A E H > S+ 0 0 119 1,-0.2 4,-3.1 2,-0.2 5,-0.1 0.836 123.2 52.7 -60.8 -29.3 2.8 -31.9 72.2 29 29 A E H > S+ 0 0 82 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 108.0 47.4 -71.8 -41.9 0.2 -31.7 69.3 30 30 A K H > S+ 0 0 52 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.764 117.5 45.1 -71.0 -24.4 2.9 -31.3 66.6 31 31 A I H X S+ 0 0 19 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.921 108.8 53.6 -82.5 -50.0 4.7 -34.3 68.3 32 32 A K H X S+ 0 0 95 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.933 112.1 47.0 -47.3 -54.9 1.7 -36.5 68.8 33 33 A A H X S+ 0 0 4 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.953 111.9 47.6 -53.3 -59.7 0.9 -36.1 65.0 34 34 A L H X S+ 0 0 3 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.819 110.8 53.8 -54.6 -33.3 4.4 -36.8 63.8 35 35 A V H X S+ 0 0 59 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.975 113.8 41.6 -65.3 -51.6 4.6 -39.9 66.1 36 36 A E H X S+ 0 0 124 -4,-2.5 4,-1.5 -5,-0.2 3,-0.3 0.965 117.6 45.3 -58.2 -59.7 1.4 -41.3 64.6 37 37 A I H X S+ 0 0 43 -4,-3.0 4,-1.7 1,-0.2 3,-0.4 0.901 113.2 50.3 -53.3 -47.8 2.2 -40.4 61.0 38 38 A C H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.847 106.7 54.6 -62.6 -34.4 5.8 -41.8 61.3 39 39 A T H X S+ 0 0 71 -4,-1.9 4,-2.4 -3,-0.3 -1,-0.2 0.834 105.0 58.2 -67.8 -29.1 4.5 -45.0 62.8 40 40 A E H X S+ 0 0 90 -4,-1.5 4,-1.9 -3,-0.4 3,-0.4 0.996 111.3 35.8 -62.8 -66.7 2.3 -45.3 59.7 41 41 A M H <>S+ 0 0 16 -4,-1.7 5,-1.7 1,-0.2 6,-1.1 0.736 113.5 63.8 -61.3 -19.7 5.0 -45.2 57.1 42 42 A E H ><5S+ 0 0 53 -4,-1.4 3,-1.3 -5,-0.3 -1,-0.2 0.956 104.8 43.2 -66.5 -50.2 7.1 -47.2 59.6 43 43 A K H 3<5S+ 0 0 137 -4,-2.4 -2,-0.2 -3,-0.4 -1,-0.2 0.856 110.1 58.3 -63.9 -34.6 4.7 -50.1 59.4 44 44 A E T 3<5S- 0 0 71 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.619 113.7-119.5 -71.4 -12.4 4.6 -49.7 55.6 45 45 A G T < 5S+ 0 0 26 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.454 82.8 118.7 86.7 0.7 8.4 -50.2 55.5 46 46 A K S - 0 0 28 -2,-0.3 3,-0.9 87,-0.1 89,-0.0 -0.159 48.6 -67.6 -98.4-162.0 20.2 -45.8 66.6 52 52 A P T 3 S+ 0 0 130 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.388 110.1 89.0 -71.1 1.3 23.1 -43.6 67.7 53 53 A E T 3 S+ 0 0 179 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.384 78.4 73.5 -79.9 3.4 25.4 -45.0 64.9 54 54 A N < - 0 0 16 -3,-0.9 -1,-0.1 1,-0.1 -4,-0.0 -0.949 56.8-177.3-123.5 108.2 24.0 -42.2 62.7 55 55 A P + 0 0 81 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.349 55.6 101.1 -83.3 3.7 25.3 -38.7 63.4 56 56 A Y + 0 0 14 70,-0.2 2,-0.3 -36,-0.1 -36,-0.3 -0.593 45.2 173.9 -92.8 153.9 23.1 -37.1 60.7 57 57 A N B -b 20 0B 13 -38,-1.2 -36,-1.8 -2,-0.2 73,-0.3 -0.932 16.7-165.5-162.8 137.6 19.9 -35.3 61.2 58 58 A T B -d 130 0C 3 71,-1.3 73,-0.8 -2,-0.3 2,-0.3 -0.932 37.9-102.5-122.0 140.5 17.3 -33.3 59.1 59 59 A P - 0 0 5 0, 0.0 17,-2.6 0, 0.0 2,-0.4 -0.489 32.0-151.5 -68.6 127.3 14.6 -31.1 60.7 60 60 A V E -F 75 0D 0 71,-0.4 2,-0.2 -2,-0.3 15,-0.2 -0.827 14.3-170.0-100.7 136.1 11.1 -32.6 60.8 61 61 A F E -F 74 0D 67 13,-3.4 13,-1.7 -2,-0.4 2,-0.4 -0.744 14.8-145.1-120.5 169.6 8.0 -30.3 60.7 62 62 A A E +F 73 0D 15 -2,-0.2 2,-0.4 11,-0.2 11,-0.2 -0.962 19.1 173.8-140.8 116.2 4.3 -30.7 61.1 63 63 A I E -F 72 0D 80 9,-1.9 9,-1.0 -2,-0.4 3,-0.1 -0.990 29.3-126.9-129.5 122.0 1.8 -28.7 59.1 64 64 A K E -F 71 0D 75 -2,-0.4 3,-0.3 7,-0.2 7,-0.2 -0.365 38.1-101.0 -62.2 143.8 -2.0 -29.3 59.2 65 65 A K S > S- 0 0 109 5,-2.5 4,-0.8 1,-0.2 3,-0.2 -0.155 77.1 -35.6 -61.5 165.7 -3.6 -29.8 55.8 66 66 A K T 4 S+ 0 0 189 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.099 133.5 1.5 -28.8 98.6 -5.4 -26.8 54.3 67 67 A D T 4 S- 0 0 146 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.1 0.958 116.8 -65.9 80.8 60.9 -7.0 -25.1 57.3 68 68 A S T 4 S+ 0 0 80 -4,-0.2 -2,-0.1 -3,-0.2 -1,-0.1 0.632 95.8 111.9 43.4 37.1 -6.2 -26.7 60.7 69 69 A T S < S+ 0 0 103 -4,-0.8 2,-0.2 1,-0.3 -1,-0.1 0.815 73.9 8.4 -97.3 -88.3 -8.0 -30.1 60.3 70 70 A K S S- 0 0 157 -4,-0.1 -5,-2.5 1,-0.0 -1,-0.3 -0.649 80.1-109.8 -95.6 154.7 -5.8 -33.3 60.1 71 71 A W E +F 64 0D 40 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.673 33.3 178.2 -91.7 139.2 -2.0 -33.3 60.6 72 72 A R E -F 63 0D 140 -9,-1.0 -9,-1.9 -2,-0.3 2,-0.3 -0.844 19.5-126.0-129.1 162.2 0.6 -33.8 57.9 73 73 A K E -F 62 0D 28 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.791 15.2-169.6-116.0 161.7 4.4 -33.8 57.9 74 74 A L E -F 61 0D 72 -13,-1.7 -13,-3.4 -2,-0.3 2,-0.5 -0.989 9.5-153.4-147.9 131.9 7.3 -32.1 56.1 75 75 A V E -F 60 0D 21 -2,-0.3 2,-1.3 72,-0.2 -15,-0.2 -0.939 14.7-139.0-111.8 127.5 11.0 -32.8 56.1 76 76 A D + 0 0 36 -17,-2.6 3,-0.5 -2,-0.5 4,-0.2 -0.618 28.4 168.6 -87.9 86.3 13.5 -29.9 55.4 77 77 A F > + 0 0 4 -2,-1.3 4,-2.9 1,-0.2 5,-0.3 0.389 36.4 120.7 -77.6 4.9 16.2 -31.5 53.2 78 78 A R H > S+ 0 0 164 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.820 79.1 40.2 -35.6 -55.3 17.7 -28.1 52.3 79 79 A E H >> S+ 0 0 65 -3,-0.5 4,-1.4 2,-0.2 3,-0.5 0.951 114.4 51.6 -64.4 -49.7 21.1 -29.0 53.7 80 80 A L H >> S+ 0 0 1 1,-0.3 4,-1.0 -4,-0.2 3,-0.6 0.909 107.6 53.8 -53.2 -45.5 21.1 -32.6 52.5 81 81 A N H >< S+ 0 0 39 -4,-2.9 3,-0.5 1,-0.2 -1,-0.3 0.861 103.8 56.4 -58.9 -35.8 20.3 -31.4 49.0 82 82 A K H << S+ 0 0 123 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.843 111.2 43.7 -64.5 -34.5 23.3 -29.1 49.1 83 83 A R H << S+ 0 0 53 -4,-1.4 -70,-1.9 -3,-0.6 -1,-0.2 0.551 94.9 99.9 -88.1 -10.6 25.6 -32.0 49.8 84 84 A T B << S-A 12 0A 0 -4,-1.0 -72,-0.2 -3,-0.5 -74,-0.0 -0.507 78.6-105.5 -81.1 145.8 24.1 -34.4 47.2 85 85 A Q - 0 0 16 -74,-1.4 2,-0.3 -2,-0.2 -1,-0.1 -0.083 37.8-103.6 -59.6 165.8 25.7 -35.0 43.8 86 86 A D - 0 0 78 502,-0.1 2,-0.3 -74,-0.0 -1,-0.1 -0.660 31.9-155.9 -93.6 147.1 24.2 -33.4 40.7 87 87 A F - 0 0 26 -2,-0.3 501,-0.2 1,-0.2 3,-0.1 -0.741 28.2 -90.4-113.4 168.7 22.2 -35.5 38.3 88 88 A W S S- 0 0 47 499,-1.5 -1,-0.2 -2,-0.3 503,-0.1 -0.125 76.8 -32.9 -71.6 177.7 21.6 -34.9 34.6 89 89 A E - 0 0 78 501,-0.2 3,-0.2 1,-0.1 -1,-0.2 0.075 43.6-161.1 -38.0 126.7 18.6 -32.9 33.2 90 90 A V S S- 0 0 99 1,-0.2 2,-0.2 -3,-0.1 -1,-0.1 0.936 88.3 -7.1 -74.5 -50.2 15.4 -33.0 35.1 91 91 A Q - 0 0 54 88,-0.1 -1,-0.2 580,-0.0 3,-0.1 -0.733 64.6-162.9-153.0 91.7 13.3 -31.8 32.2 92 92 A L S S- 0 0 57 -3,-0.2 2,-0.2 -2,-0.2 576,-0.1 0.254 74.2 -30.7 -62.4 15.4 15.3 -30.6 29.2 93 93 A G - 0 0 23 575,-0.1 -1,-0.2 574,-0.1 3,-0.0 -0.512 65.1-106.5 140.2 148.1 12.3 -28.8 27.8 94 94 A I - 0 0 60 -2,-0.2 2,-0.3 -3,-0.1 575,-0.1 -0.748 39.1-104.9-102.1 145.0 8.5 -29.0 27.8 95 95 A P - 0 0 4 0, 0.0 573,-0.1 0, 0.0 283,-0.1 -0.551 33.9-135.2 -69.1 129.5 6.6 -30.1 24.7 96 96 A H > - 0 0 43 -2,-0.3 3,-2.8 1,-0.1 4,-0.3 -0.753 16.1-122.5 -86.1 136.7 4.9 -27.0 23.2 97 97 A P G > S+ 0 0 4 0, 0.0 3,-2.0 0, 0.0 218,-0.3 0.822 109.6 64.1 -44.0 -41.0 1.2 -27.6 22.2 98 98 A A G 3 S+ 0 0 0 1,-0.3 248,-0.1 216,-0.1 215,-0.0 0.597 99.5 54.6 -63.0 -13.5 2.0 -26.7 18.5 99 99 A G G < S+ 0 0 2 -3,-2.8 -1,-0.3 215,-0.1 2,-0.1 0.385 90.1 96.8-100.4 -0.0 4.3 -29.7 18.3 100 100 A L < - 0 0 43 -3,-2.0 215,-2.7 -4,-0.3 2,-0.3 -0.378 65.7-135.3 -83.9 167.5 1.7 -32.3 19.5 101 101 A K - 0 0 77 213,-0.2 215,-0.1 -2,-0.1 2,-0.1 -0.903 29.7 -97.3-122.5 149.0 -0.5 -34.5 17.2 102 102 A K - 0 0 104 -2,-0.3 2,-0.3 213,-0.3 131,-0.2 -0.402 38.3-165.5 -69.6 144.6 -4.2 -35.1 17.6 103 103 A K - 0 0 46 129,-1.7 85,-0.2 -2,-0.1 3,-0.1 -0.976 29.5-129.5-130.7 144.9 -5.4 -38.3 19.3 104 104 A K S S- 0 0 140 83,-1.2 2,-0.3 -2,-0.3 84,-0.2 0.795 95.3 -0.9 -61.2 -28.0 -8.8 -40.0 19.5 105 105 A S E -G 187 0E 14 82,-1.5 82,-1.7 127,-0.1 2,-0.4 -0.978 60.2-164.8-162.3 149.5 -8.4 -40.1 23.2 106 106 A V E -G 186 0E 31 -2,-0.3 2,-0.4 80,-0.2 80,-0.2 -0.997 7.7-175.9-139.2 138.9 -6.0 -39.1 26.0 107 107 A T E -G 185 0E 5 78,-2.7 78,-3.1 -2,-0.4 2,-0.5 -0.997 14.6-146.0-136.5 138.3 -6.0 -40.2 29.6 108 108 A V E -GH 184 219E 1 111,-1.1 2,-0.8 -2,-0.4 111,-0.6 -0.924 6.8-154.8-110.0 125.9 -3.7 -39.1 32.4 109 109 A L E -G 183 0E 0 74,-2.7 2,-1.0 -2,-0.5 74,-0.7 -0.882 10.1-146.8-102.3 105.8 -2.7 -41.6 35.1 110 110 A D E -G 182 0E 68 -2,-0.8 72,-0.2 72,-0.2 3,-0.2 -0.614 13.2-173.5 -71.6 102.6 -1.7 -39.9 38.3 111 111 A V > + 0 0 3 70,-2.3 3,-1.5 -2,-1.0 -1,-0.2 -0.035 24.1 173.1 -88.2 34.6 1.0 -42.1 39.7 112 112 A G G > + 0 0 22 1,-0.3 2,-1.3 69,-0.1 3,-0.6 0.551 61.9 20.5 -3.7-102.2 0.8 -39.9 42.8 113 113 A D G 3 S+ 0 0 91 1,-0.2 3,-0.3 -3,-0.2 -1,-0.3 -0.177 81.8 123.6 -81.0 46.0 3.0 -41.2 45.6 114 114 A A G X> + 0 0 4 -3,-1.5 3,-1.7 -2,-1.3 4,-1.1 0.646 59.8 76.2 -77.8 -15.3 5.1 -43.3 43.4 115 115 A Y G X4 S+ 0 0 14 -3,-0.6 3,-0.7 1,-0.3 30,-0.6 0.950 94.9 49.1 -57.6 -45.8 8.1 -41.5 44.8 116 116 A F G 34 S+ 0 0 23 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.272 103.1 64.1 -79.1 12.5 7.7 -43.6 47.9 117 117 A S G <4 S+ 0 0 2 -3,-1.7 -114,-1.9 -115,-0.1 -1,-0.2 0.727 83.9 80.6-103.2 -31.9 7.5 -46.7 45.8 118 118 A V S << S- 0 0 5 -4,-1.1 27,-2.3 -3,-0.7 -1,-0.1 -0.675 84.4-123.9 -83.1 117.5 11.1 -46.6 44.3 119 119 A P B -J 144 0F 16 0, 0.0 -111,-0.4 0, 0.0 25,-0.3 -0.325 23.2-130.7 -63.6 134.4 13.8 -47.9 46.7 120 120 A L - 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0 0 78 184,-2.5 62,-0.0 -2,-0.7 66,-0.0 -0.727 3.3-144.2 -95.0 139.7 49.1 -6.3 -6.8 758 246 B L - 0 0 8 -2,-0.3 14,-0.0 1,-0.1 61,-0.0 -0.817 27.2-101.8-101.5 145.3 48.5 -2.5 -7.2 759 247 B P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.122 27.5-148.2 -61.9 159.2 46.2 -1.1 -9.9 760 248 B E + 0 0 156 3,-0.0 2,-0.3 4,-0.0 3,-0.1 -0.997 19.3 174.3-133.1 125.7 47.6 0.5 -13.0 761 249 B K - 0 0 84 -2,-0.4 3,-0.2 1,-0.1 0, 0.0 -0.859 36.8-137.5-127.6 162.1 45.8 3.4 -14.8 762 250 B D S S+ 0 0 171 1,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.878 101.2 17.2 -81.1 -43.9 46.6 5.6 -17.8 763 251 B S S S- 0 0 71 -3,-0.1 -1,-0.4 43,-0.1 2,-0.3 -0.980 78.2-148.1-130.1 136.9 45.2 8.5 -15.8 764 252 B W E -J 805 0T 10 41,-0.8 41,-3.3 -2,-0.4 2,-0.2 -0.835 7.9-150.1-107.5 144.3 44.6 8.7 -12.1 765 253 B T E > -J 804 0T 31 -2,-0.3 4,-2.6 39,-0.3 5,-0.2 -0.673 33.4-104.3-105.8 167.6 41.8 10.7 -10.4 766 254 B V H > S+ 0 0 3 37,-1.7 4,-2.8 34,-0.4 36,-0.2 0.909 125.1 50.1 -56.2 -41.7 41.8 12.2 -6.9 767 255 B N H > S+ 0 0 8 34,-2.2 4,-2.7 2,-0.2 5,-0.2 0.945 107.8 52.2 -62.3 -49.5 39.6 9.3 -5.8 768 256 B D H > S+ 0 0 36 33,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.945 112.7 45.0 -51.1 -54.2 41.9 6.7 -7.3 769 257 B I H X S+ 0 0 1 -4,-2.6 4,-3.6 1,-0.2 5,-0.3 0.935 110.9 54.2 -56.8 -48.2 44.9 8.2 -5.5 770 258 B Q H X S+ 0 0 4 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.888 111.1 45.3 -53.0 -45.6 42.9 8.5 -2.2 771 259 B K H X S+ 0 0 97 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.959 115.2 47.8 -64.0 -48.6 41.9 4.8 -2.4 772 260 B L H X S+ 0 0 4 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.933 111.2 49.7 -57.4 -52.4 45.5 3.8 -3.3 773 261 B V H X S+ 0 0 1 -4,-3.6 4,-3.2 1,-0.2 5,-0.2 0.910 109.2 52.5 -55.2 -45.8 47.1 5.9 -0.5 774 262 B G H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.936 109.8 49.1 -56.5 -47.2 44.7 4.5 2.1 775 263 B K H X S+ 0 0 28 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.938 115.4 43.1 -56.3 -52.9 45.6 0.9 1.1 776 264 B L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.949 109.4 55.9 -61.2 -51.7 49.4 1.7 1.3 777 265 B N H < S+ 0 0 50 -4,-3.2 3,-0.4 1,-0.2 -1,-0.2 0.892 114.5 40.2 -48.6 -48.0 49.2 3.6 4.5 778 266 B W H >< S+ 0 0 22 -4,-2.1 3,-2.3 -5,-0.2 -1,-0.2 0.953 111.2 58.5 -66.6 -46.8 47.5 0.7 6.2 779 267 B A H >X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.3 3,-2.0 0.678 85.5 79.2 -56.2 -21.6 49.8 -1.8 4.4 780 268 B S T 3< S+ 0 0 40 -4,-1.7 -1,-0.3 -3,-0.4 -2,-0.2 0.655 78.4 72.1 -63.6 -14.7 52.9 -0.0 5.9 781 269 B Q T <4 S+ 0 0 96 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.737 108.9 32.4 -70.3 -23.7 52.1 -2.0 9.1 782 270 B I T <4 S+ 0 0 17 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.834 132.3 29.4 -96.1 -52.0 53.3 -5.1 7.2 783 271 B Y >< - 0 0 31 -4,-2.1 3,-1.6 1,-0.1 -1,-0.3 -0.906 66.2-171.2-114.9 99.8 56.0 -3.5 5.0 784 272 B P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.516 79.4 72.6 -66.4 -8.7 57.5 -0.5 6.8 785 273 B G T 3 S+ 0 0 32 33,-0.1 2,-0.5 2,-0.1 36,-0.1 0.528 71.0 108.6 -83.7 -7.7 59.4 0.5 3.6 786 274 B I < - 0 0 12 -3,-1.6 2,-0.3 -10,-0.1 29,-0.1 -0.605 53.2-166.1 -74.1 121.4 56.2 1.6 1.9 787 275 B K + 0 0 119 -2,-0.5 31,-0.1 27,-0.3 -2,-0.1 -0.841 20.6 174.4-110.6 148.7 56.1 5.4 1.6 788 276 B V > + 0 0 18 -2,-0.3 4,-2.5 2,-0.1 3,-0.2 0.375 51.2 99.0-134.3 5.4 53.1 7.5 0.7 789 277 B R H > S+ 0 0 198 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.935 80.3 53.4 -62.2 -51.5 54.1 11.2 1.0 790 278 B Q H > S+ 0 0 61 1,-0.2 4,-0.7 2,-0.2 21,-0.2 0.828 115.0 43.1 -55.0 -34.7 54.8 12.0 -2.7 791 279 B L H >> S+ 0 0 0 -3,-0.2 3,-1.2 2,-0.2 4,-0.9 0.924 110.0 55.2 -75.9 -46.1 51.3 10.8 -3.5 792 280 B C H 3< S+ 0 0 6 -4,-2.5 3,-0.4 1,-0.3 -2,-0.2 0.801 100.5 63.0 -55.7 -30.1 49.7 12.5 -0.6 793 281 B K H >< S+ 0 0 126 -4,-2.2 3,-1.3 1,-0.2 -1,-0.3 0.868 98.7 52.5 -63.7 -37.1 51.3 15.7 -1.9 794 282 B L H << S+ 0 0 26 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.753 103.0 62.2 -69.9 -22.9 49.2 15.5 -5.0 795 283 B L T 3< S+ 0 0 4 -4,-0.9 2,-0.4 -3,-0.4 -1,-0.3 0.390 74.5 113.0 -84.4 1.1 46.2 15.2 -2.8 796 284 B R < + 0 0 208 -3,-1.3 -258,-0.1 -258,-0.1 2,-0.1 -0.640 60.0 49.3 -77.8 128.4 46.6 18.6 -1.2 797 285 B G S S- 0 0 43 -2,-0.4 2,-2.2 -260,-0.3 -341,-0.1 -0.086 94.7 -86.9 117.6 141.3 43.8 20.9 -2.2 798 286 B T + 0 0 61 -343,-0.1 -340,-0.2 -2,-0.1 2,-0.1 -0.407 65.8 161.3 -79.1 66.9 40.0 20.6 -2.2 799 287 B K - 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0 0 124 -2,-0.2 -527,-0.0 -26,-0.1 -2,-0.0 -0.901 38.4-127.0-110.7 105.3 33.5 -8.0 12.9 931 419 B T - 0 0 7 -2,-0.7 -529,-0.0 -529,-0.1 -89,-0.0 -0.288 20.7-128.4 -55.8 113.7 35.6 -7.7 9.8 932 420 B P > - 0 0 60 0, 0.0 4,-1.3 0, 0.0 3,-0.4 -0.501 15.3-130.5 -66.6 130.1 37.6 -4.4 9.8 933 421 B P H > S+ 0 0 26 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.804 102.3 54.2 -48.5 -39.5 36.9 -2.5 6.4 934 422 B L H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 -156,-0.0 0.924 103.2 51.5 -66.3 -47.9 40.6 -1.9 5.8 935 423 B V H > S+ 0 0 22 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.825 111.4 52.2 -61.2 -28.0 41.9 -5.5 6.1 936 424 B K H X S+ 0 0 48 -4,-1.3 4,-1.2 2,-0.2 -1,-0.2 0.959 106.6 49.7 -72.0 -52.1 39.3 -6.5 3.6 937 425 B L H X S+ 0 0 45 -4,-2.0 4,-0.6 1,-0.2 -2,-0.2 0.834 110.2 54.4 -56.7 -35.3 40.2 -3.9 1.0 938 426 B W H >< S+ 0 0 4 -4,-1.9 3,-2.0 1,-0.2 -1,-0.2 0.984 109.1 41.4 -64.4 -62.2 43.9 -4.9 1.2 939 427 B Y H >< S+ 0 0 13 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.636 99.8 75.0 -64.0 -13.6 43.6 -8.7 0.6 940 428 B Q H 3< S+ 0 0 92 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.843 87.6 65.3 -64.7 -30.8 41.1 -7.9 -2.1 941 429 B L T << S+ 0 0 23 -3,-2.0 -184,-2.5 -4,-0.6 -1,-0.3 0.208 74.3 135.4 -77.5 12.8 44.2 -6.8 -4.1 942 430 B E B < -I 756 0S 9 -3,-1.4 -186,-0.2 -186,-0.2 2,-0.0 -0.389 60.4-106.9 -67.4 142.5 45.7 -10.3 -4.2 943 431 B K - 0 0 108 -188,-2.5 -1,-0.1 -2,-0.1 -189,-0.1 -0.337 36.8-168.2 -67.6 148.4 47.2 -11.5 -7.5 944 432 B E 0 0 115 1,-0.2 -1,-0.0 -2,-0.0 0, 0.0 -0.804 360.0 360.0-131.6 168.5 45.3 -14.1 -9.5 945 433 B P 0 0 173 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.192 360.0 360.0 -77.5 360.0 46.2 -16.3 -12.6