==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUN-04 1TKZ . COMPND 2 MOLECULE: POL POLYPROTEIN, REVERSE TRANSCRIPTASE, CHAIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR A.L.HOPKINS,J.REN,D.I.STUART,D.K.STAMMERS . 918 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 606 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 0 0.0 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 . 60 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 3 2 0 1 1 0 1 1 0 2 4 4 0 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 3 2 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 . 9 4 7 0 2 3 3 1 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 3 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 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 4 A P 0 0 152 0, 0.0 2,-0.2 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 175.9 15.2 -57.7 35.5 2 5 A I - 0 0 25 1,-0.1 2,-0.1 202,-0.1 153,-0.0 -0.581 360.0 -92.4 -94.7 151.1 17.1 -54.9 33.9 3 6 A E - 0 0 150 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.324 46.9-113.4 -57.7 133.6 20.9 -54.4 33.6 4 7 A T - 0 0 42 108,-0.1 -1,-0.1 -3,-0.1 108,-0.1 -0.472 17.8-135.9 -74.0 138.8 22.4 -52.3 36.4 5 8 A V - 0 0 11 -2,-0.2 108,-0.6 106,-0.1 2,-0.3 -0.882 26.0-124.7 -97.5 116.3 23.8 -48.9 35.6 6 9 A P - 0 0 62 0, 0.0 2,-0.3 0, 0.0 108,-0.0 -0.430 31.1-169.2 -64.0 120.5 27.2 -48.5 37.4 7 10 A V - 0 0 7 -2,-0.3 2,-0.3 106,-0.0 561,-0.0 -0.753 7.9-176.3-111.7 158.2 27.3 -45.4 39.6 8 11 A K - 0 0 138 -2,-0.3 69,-1.8 560,-0.0 2,-0.1 -0.960 28.4-108.4-147.2 158.4 30.2 -43.7 41.5 9 12 A L B -A 76 0A 22 -2,-0.3 67,-0.3 67,-0.2 3,-0.1 -0.377 55.5 -76.5 -82.1 169.5 30.5 -40.8 43.8 10 13 A K > - 0 0 65 65,-2.9 3,-2.1 1,-0.1 -1,-0.2 -0.353 68.5 -78.6 -65.3 148.8 32.2 -37.6 42.6 11 14 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.185 115.6 8.4 -52.2 132.0 36.0 -37.8 42.4 12 15 A G T 3 S+ 0 0 93 1,-0.2 2,-0.3 -3,-0.1 -2,-0.1 0.570 105.5 115.6 74.6 9.9 37.7 -37.5 45.7 13 16 A M < - 0 0 83 -3,-2.1 2,-0.3 62,-0.1 -1,-0.2 -0.739 50.8-144.7-113.2 163.4 34.5 -37.6 47.7 14 17 A D - 0 0 74 -2,-0.3 3,-0.1 1,-0.2 -4,-0.1 -0.826 34.6 -76.6-122.3 160.4 33.0 -40.0 50.3 15 18 A G - 0 0 3 -2,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.030 60.8 -81.1 -51.4 159.4 29.5 -41.3 51.1 16 19 A P - 0 0 0 0, 0.0 38,-2.7 0, 0.0 -1,-0.2 -0.468 41.9-178.6 -68.4 123.4 26.9 -39.1 53.0 17 20 A K B +b 54 0B 112 -2,-0.3 2,-0.4 36,-0.3 38,-0.2 -0.434 25.3 153.6-118.9 55.2 27.6 -39.4 56.7 18 21 A V - 0 0 46 36,-2.2 2,-0.0 1,-0.1 53,-0.0 -0.740 43.2-117.4 -94.4 133.9 24.8 -37.2 57.9 19 22 A K - 0 0 143 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 -0.292 26.3-116.9 -65.6 143.8 23.1 -37.5 61.3 20 23 A Q - 0 0 28 36,-0.1 3,-0.1 35,-0.1 -1,-0.1 -0.741 29.1-122.2 -88.5 121.3 19.4 -38.5 61.6 21 24 A W - 0 0 83 -2,-0.6 36,-0.1 1,-0.1 2,-0.1 -0.016 42.5 -82.7 -52.9 161.0 17.2 -35.9 63.2 22 25 A P - 0 0 120 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.450 50.5-145.4 -68.0 144.0 15.3 -36.9 66.3 23 26 A L - 0 0 19 -3,-0.1 5,-0.1 -2,-0.1 2,-0.0 -0.953 11.6-119.9-122.6 132.3 12.1 -38.7 65.5 24 27 A T >> - 0 0 62 -2,-0.5 4,-2.9 1,-0.2 3,-1.6 -0.375 27.4-124.1 -62.3 135.9 8.8 -38.7 67.3 25 28 A E H 3> S+ 0 0 79 1,-0.3 4,-2.4 2,-0.3 -1,-0.2 0.777 115.7 57.2 -52.7 -28.0 7.9 -42.2 68.4 26 29 A E H 3> S+ 0 0 106 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.810 112.1 41.5 -72.1 -31.2 4.7 -41.8 66.5 27 30 A K H <> S+ 0 0 62 -3,-1.6 4,-2.0 2,-0.2 -2,-0.3 0.822 111.4 54.7 -83.6 -34.8 6.9 -41.2 63.4 28 31 A I H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 3,-0.4 0.971 108.8 49.7 -59.4 -52.7 9.3 -43.9 64.3 29 32 A K H X S+ 0 0 140 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.884 110.6 49.7 -51.8 -46.1 6.5 -46.4 64.5 30 33 A A H X S+ 0 0 6 -4,-1.1 4,-1.6 2,-0.2 -1,-0.2 0.835 110.4 50.9 -65.0 -35.4 5.2 -45.3 61.1 31 34 A L H X S+ 0 0 0 -4,-2.0 4,-3.5 -3,-0.4 5,-0.3 0.973 105.4 53.1 -67.1 -56.7 8.6 -45.6 59.5 32 35 A V H X S+ 0 0 48 -4,-2.4 4,-3.2 1,-0.3 5,-0.2 0.884 108.7 51.3 -45.3 -47.9 9.3 -49.1 60.6 33 36 A E H X S+ 0 0 136 -4,-1.6 4,-2.0 -5,-0.2 -1,-0.3 0.942 114.0 44.6 -54.6 -49.9 6.0 -50.2 59.1 34 37 A I H X S+ 0 0 37 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.936 115.5 46.2 -61.7 -49.6 7.0 -48.6 55.9 35 38 A C H X S+ 0 0 0 -4,-3.5 4,-2.3 2,-0.2 5,-0.2 0.859 108.3 55.4 -64.9 -38.7 10.5 -49.9 55.9 36 39 A T H >X S+ 0 0 69 -4,-3.2 4,-3.5 -5,-0.3 3,-0.6 0.991 109.6 46.5 -57.1 -58.0 9.5 -53.5 56.8 37 40 A E H 3X S+ 0 0 67 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.905 111.2 52.6 -47.8 -48.8 7.2 -53.6 53.8 38 41 A M H 3<>S+ 0 0 26 -4,-2.1 5,-1.6 1,-0.2 6,-0.7 0.860 113.5 44.2 -56.2 -39.1 9.9 -52.2 51.6 39 42 A E H X<5S+ 0 0 54 -4,-2.3 3,-1.0 -3,-0.6 -1,-0.2 0.873 108.1 55.7 -73.6 -41.1 12.3 -54.8 52.8 40 43 A K H 3<5S+ 0 0 159 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.866 112.6 45.9 -58.3 -32.4 9.6 -57.5 52.4 41 44 A E T 3<5S- 0 0 108 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.557 116.1-117.6 -86.6 -9.7 9.5 -56.2 48.9 42 45 A G T < 5S+ 0 0 34 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.276 80.7 120.6 92.4 -11.6 13.3 -56.2 48.4 43 46 A K S - 0 0 30 -2,-0.2 3,-0.7 86,-0.1 -1,-0.1 -0.368 37.6 -87.7-108.3-173.8 25.2 -53.8 59.6 49 52 A P T 3 S+ 0 0 140 0, 0.0 -1,-0.0 0, 0.0 -2,-0.0 0.525 111.0 84.6 -67.9 -8.2 27.5 -51.5 61.7 50 53 A E T 3 S+ 0 0 172 1,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.977 75.0 72.0 -58.1 -57.5 29.9 -51.9 58.8 51 54 A N < - 0 0 14 -3,-0.7 -1,-0.1 1,-0.2 -4,-0.1 -0.489 58.1-176.9 -69.5 109.6 28.3 -49.1 56.8 52 55 A P + 0 0 72 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 0.455 52.6 105.0 -83.2 -3.5 29.2 -45.8 58.5 53 56 A Y + 0 0 23 65,-0.1 2,-0.3 -36,-0.1 -36,-0.3 -0.467 44.6 173.5 -82.7 151.2 27.1 -43.9 55.9 54 57 A N B -b 17 0B 18 -38,-2.7 -36,-2.2 -2,-0.1 68,-0.3 -0.965 18.1-164.1-160.7 142.6 23.7 -42.4 56.7 55 58 A T - 0 0 1 66,-0.8 68,-0.4 -2,-0.3 14,-0.1 -0.992 35.2-104.7-131.9 122.2 21.0 -40.2 55.1 56 59 A P - 0 0 2 0, 0.0 12,-2.2 0, 0.0 2,-0.4 0.048 32.4-166.8 -45.0 145.1 18.2 -38.5 57.0 57 60 A V E +D 67 0D 0 10,-0.2 2,-0.3 66,-0.2 10,-0.2 -0.997 7.4 177.8-137.6 139.4 14.6 -39.7 56.9 58 61 A F E -D 66 0D 54 8,-2.8 8,-2.0 -2,-0.4 2,-0.4 -0.981 26.6-113.9-144.1 158.4 11.4 -38.0 58.1 59 62 A A E D 65 0D 6 -2,-0.3 6,-0.2 6,-0.2 -32,-0.1 -0.734 360.0 360.0 -94.7 136.2 7.7 -38.6 58.2 60 63 A I 0 0 85 4,-1.7 4,-2.1 -2,-0.4 -2,-0.0 -0.909 360.0 360.0-127.6 360.0 5.2 -36.5 56.2 61 ! 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 62 70 A K 0 0 218 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.9 -1.9 -41.4 56.6 63 71 A W - 0 0 83 -33,-0.0 2,-0.3 -4,-0.0 -4,-0.0 -0.637 360.0-171.1 -91.6 145.8 2.0 -41.5 57.0 64 72 A R - 0 0 143 -4,-2.1 -4,-1.7 -2,-0.3 2,-0.5 -0.921 19.2-123.3-132.7 157.3 4.6 -41.3 54.2 65 73 A K E +D 59 0D 24 -2,-0.3 2,-0.4 -6,-0.2 -6,-0.2 -0.880 26.0 176.1-107.9 127.3 8.4 -41.8 54.0 66 74 A L E -D 58 0D 56 -8,-2.0 -8,-2.8 -2,-0.5 2,-0.4 -0.978 10.2-163.2-133.5 122.1 10.8 -39.1 52.8 67 75 A V E -D 57 0D 8 -2,-0.4 2,-1.1 76,-0.2 -10,-0.2 -0.877 21.0-129.7-106.2 133.6 14.6 -39.4 52.7 68 76 A D + 0 0 30 -12,-2.2 3,-0.3 -2,-0.4 4,-0.3 -0.683 33.1 167.5 -84.0 101.2 16.8 -36.4 52.3 69 77 A F > + 0 0 5 -2,-1.1 4,-4.0 1,-0.2 5,-0.3 0.357 42.6 108.6 -95.5 5.1 19.2 -37.2 49.5 70 78 A R H > S+ 0 0 156 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.901 84.3 44.0 -45.0 -52.7 20.6 -33.7 49.0 71 79 A E H > S+ 0 0 66 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.921 115.0 46.5 -63.2 -47.2 23.9 -34.6 50.6 72 80 A L H >> S+ 0 0 0 -4,-0.3 4,-1.1 1,-0.2 3,-0.8 0.965 113.5 51.6 -59.1 -47.3 24.2 -37.9 48.7 73 81 A N H 3< S+ 0 0 37 -4,-4.0 -2,-0.2 1,-0.3 -1,-0.2 0.823 105.5 54.0 -57.0 -35.4 23.2 -36.0 45.6 74 82 A K H 3< S+ 0 0 123 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.826 116.0 40.4 -68.3 -29.5 25.9 -33.5 46.2 75 83 A R H << S+ 0 0 57 -4,-1.5 -65,-2.9 -3,-0.8 2,-0.3 0.499 98.1 96.7 -96.1 -6.8 28.3 -36.4 46.4 76 84 A T B < S-A 9 0A 0 -4,-1.1 -67,-0.2 -67,-0.3 3,-0.1 -0.657 81.2-104.2 -88.8 141.9 26.8 -38.4 43.5 77 85 A Q - 0 0 25 -69,-1.8 2,-0.2 -2,-0.3 -1,-0.1 -0.083 37.9-100.0 -58.3 157.2 28.3 -38.1 40.0 78 86 A D - 0 0 71 490,-0.1 2,-0.3 -69,-0.1 -1,-0.1 -0.529 39.1-152.4 -77.3 149.1 26.6 -36.1 37.2 79 87 A F - 0 0 15 -2,-0.2 2,-0.6 491,-0.1 489,-0.2 -0.768 29.8-100.5-117.3 163.5 24.6 -38.1 34.8 80 88 A W - 0 0 81 487,-2.2 2,-0.2 -2,-0.3 489,-0.1 -0.759 69.5-136.1 -72.4 128.0 23.7 -37.5 31.2 81 89 A E - 0 0 99 -2,-0.6 -1,-0.1 489,-0.2 66,-0.0 -0.549 9.9 -75.2-113.6 173.5 20.3 -36.2 32.1 82 90 A V - 0 0 62 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 0.552 66.3-103.7 -1.4 -94.8 16.6 -36.2 31.4 83 91 A Q - 0 0 53 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 0.243 24.5-160.3 178.7 -29.4 16.3 -34.0 28.3 84 92 A L + 0 0 169 1,-0.1 2,-0.3 563,-0.0 -2,-0.1 0.782 68.1 106.9 27.0 39.9 15.0 -30.5 29.3 85 93 A G - 0 0 16 562,-0.1 -1,-0.1 561,-0.0 0, 0.0 -0.843 56.6-168.4-143.0 94.0 14.1 -30.4 25.6 86 94 A I - 0 0 62 -2,-0.3 562,-0.1 1,-0.1 561,-0.1 -0.655 24.0-113.7 -90.6 144.2 10.4 -30.8 25.2 87 95 A P - 0 0 7 0, 0.0 560,-0.1 0, 0.0 287,-0.1 -0.424 27.6-129.8 -71.7 152.0 8.8 -31.5 21.8 88 96 A H > - 0 0 24 1,-0.1 3,-3.4 286,-0.1 4,-0.5 -0.920 20.3-119.6-104.8 127.8 6.6 -28.7 20.5 89 97 A P G > S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 222,-0.3 0.718 111.5 61.4 -35.8 -36.1 3.1 -29.8 19.4 90 98 A A G 3 S+ 0 0 0 1,-0.3 221,-0.6 220,-0.1 252,-0.1 0.846 96.0 63.5 -66.7 -25.9 3.6 -28.6 15.9 91 99 A G G < S+ 0 0 0 -3,-3.4 -1,-0.3 219,-0.1 219,-0.1 0.770 92.3 85.2 -66.2 -24.5 6.4 -31.1 15.7 92 100 A L S < S- 0 0 47 -3,-1.1 219,-3.6 -4,-0.5 2,-0.3 -0.129 72.5-130.5 -74.1 170.4 4.0 -34.0 16.2 93 101 A K - 0 0 56 217,-0.2 219,-0.1 1,-0.1 -1,-0.1 -0.867 33.4 -90.1-120.7 155.3 1.9 -35.9 13.7 94 102 A K - 0 0 115 217,-0.4 2,-0.3 -2,-0.3 135,-0.2 -0.240 44.2-169.8 -62.0 154.4 -1.8 -36.6 13.8 95 103 A K - 0 0 48 133,-1.7 89,-0.2 1,-0.1 3,-0.1 -0.989 27.2-139.5-146.7 145.4 -2.8 -39.9 15.5 96 104 A K S S+ 0 0 125 87,-1.3 2,-0.3 -2,-0.3 88,-0.2 0.929 89.6 10.7 -72.2 -46.0 -6.1 -41.8 15.7 97 105 A S E -E 183 0E 8 86,-2.6 86,-2.6 131,-0.1 2,-0.3 -0.967 59.9-176.4-136.7 152.6 -5.7 -42.8 19.3 98 106 A V E +E 182 0E 22 -2,-0.3 2,-0.4 84,-0.2 84,-0.2 -0.929 6.4 179.8-149.9 119.6 -3.4 -41.9 22.1 99 107 A T E -E 181 0E 1 82,-2.2 82,-3.6 -2,-0.3 2,-0.4 -0.920 12.1-152.5-121.9 147.9 -3.3 -43.4 25.6 100 108 A V E -EF 180 215E 0 115,-1.8 115,-1.4 -2,-0.4 2,-0.4 -0.977 6.0-161.4-126.8 128.9 -1.1 -42.5 28.4 101 109 A L E -E 179 0E 0 78,-2.4 78,-2.7 -2,-0.4 2,-0.9 -0.826 18.4-129.9-110.1 145.4 -0.1 -44.9 31.3 102 110 A D E -E 178 0E 64 -2,-0.4 2,-3.1 76,-0.2 76,-0.2 -0.818 15.2-141.6 -97.2 100.3 1.4 -43.9 34.6 103 111 A V > - 0 0 4 74,-1.8 3,-1.0 -2,-0.9 105,-0.2 -0.339 30.7-140.6 -59.3 75.7 4.5 -45.9 35.2 104 112 A G T 3 - 0 0 25 -2,-3.1 103,-0.3 103,-0.6 -1,-0.1 -0.163 69.5 -18.3 -46.8 129.2 3.5 -46.2 38.9 105 113 A D T 3 S+ 0 0 82 1,-0.1 -1,-0.3 2,-0.1 4,-0.1 0.849 79.6 172.1 31.5 67.2 6.5 -45.9 41.1 106 114 A A X> + 0 0 0 -3,-1.0 3,-2.5 1,-0.2 4,-0.6 0.935 68.0 57.3 -66.2 -50.7 9.0 -46.7 38.3 107 115 A Y G >4 S+ 0 0 21 1,-0.3 34,-1.8 2,-0.2 3,-1.1 0.835 104.5 53.6 -49.0 -41.7 12.2 -46.0 40.2 108 116 A F G 34 S+ 0 0 39 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.482 103.3 59.1 -74.8 -5.2 11.3 -48.5 42.8 109 117 A S G <4 S+ 0 0 42 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.559 95.8 75.6 -98.7 -11.9 10.9 -51.0 40.0 110 118 A V S << S- 0 0 11 -3,-1.1 31,-1.7 -4,-0.6 42,-0.1 -0.835 80.7-123.1-105.7 136.6 14.5 -50.6 38.8 111 119 A P B -H 140 0F 28 0, 0.0 2,-0.4 0, 0.0 29,-0.3 0.092 22.6-130.8 -63.5-175.9 17.5 -52.1 40.6 112 120 A L - 0 0 4 27,-1.2 5,-0.2 28,-0.1 2,-0.1 -0.995 33.8 -85.5-145.0 136.8 20.5 -50.1 41.8 113 121 A D >> - 0 0 15 -108,-0.6 3,-4.1 -2,-0.4 4,-1.4 -0.134 38.5-141.2 -44.1 102.7 24.2 -50.5 41.3 114 122 A E H >> S+ 0 0 120 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.839 100.3 56.7 -33.5 -54.0 25.1 -52.9 44.1 115 123 A D H 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 4,-0.2 0.704 109.8 47.3 -57.5 -18.6 28.4 -51.1 44.7 116 124 A F H X4 S+ 0 0 1 -3,-4.1 3,-1.9 1,-0.1 4,-0.5 0.771 87.7 86.4 -94.2 -27.5 26.4 -48.0 45.2 117 125 A R H X< S+ 0 0 50 -4,-1.4 3,-2.4 -3,-0.7 21,-0.5 0.827 79.0 63.9 -39.9 -49.1 23.8 -49.4 47.5 118 126 A K G >< S+ 0 0 80 -4,-0.7 3,-1.6 1,-0.3 -1,-0.3 0.842 95.2 59.7 -49.1 -37.7 25.9 -48.8 50.6 119 127 A Y G < S+ 0 0 34 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.668 95.4 63.8 -67.0 -14.5 25.8 -45.0 50.2 120 128 A T G < S+ 0 0 0 -3,-2.4 -1,-0.3 -4,-0.5 -2,-0.2 0.415 75.3 136.6 -89.2 2.5 22.0 -45.1 50.4 121 129 A A < + 0 0 0 -3,-1.6 -66,-0.8 -4,-0.3 16,-0.3 -0.235 24.7 167.1 -55.8 129.6 22.1 -46.3 54.0 122 130 A F E -I 136 0G 0 14,-1.2 14,-1.6 -68,-0.3 2,-0.4 -0.708 23.7-127.1-131.2-178.0 19.7 -44.6 56.4 123 131 A T E -I 135 0G 24 -68,-0.4 12,-0.2 -2,-0.2 -66,-0.2 -0.971 6.1-153.1-147.6 131.8 18.5 -45.3 59.9 124 132 A I E -I 134 0G 1 10,-2.8 10,-0.8 -2,-0.4 -96,-0.0 -0.865 35.7-130.4 -97.8 104.3 15.2 -45.7 61.8 125 133 A P - 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