==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER NUCLEOTIDYLTRANSFERASE 19-APR-95 1VRT . COMPND 2 MOLECULE: HIV-1 REVERSE TRANSCRIPTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR J.REN,R.ESNOUF,E.GARMAN,D.SOMERS,C.ROSS,I.KIRBY,J.KEELING, . 926 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46183.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 579 62.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 130 14.0 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 . 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 . 44 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 237 25.6 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 0 4 2 0 1 0 1 1 1 1 2 3 4 0 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 3 8 0 4 3 2 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 . 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 4 A P 0 0 157 0, 0.0 2,-0.4 0, 0.0 114,-0.1 0.000 360.0 360.0 360.0 170.0 15.2 -58.1 36.2 2 5 A I - 0 0 19 112,-0.3 158,-0.1 207,-0.1 207,-0.0 -0.634 360.0-110.1 -83.2 128.8 16.4 -54.7 35.0 3 6 A E - 0 0 140 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 -0.254 36.3-111.0 -51.3 145.6 20.1 -54.5 34.6 4 7 A T - 0 0 44 113,-0.1 113,-0.1 111,-0.1 -1,-0.1 -0.646 18.0-137.0 -84.9 136.1 21.9 -52.3 37.2 5 8 A V - 0 0 14 111,-0.4 113,-0.5 -2,-0.3 2,-0.4 -0.832 25.9-120.9 -94.8 126.5 23.6 -48.9 36.3 6 9 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 568,-0.0 -0.532 33.4-170.1 -69.9 123.9 27.1 -48.4 38.0 7 10 A V - 0 0 8 -2,-0.4 2,-0.3 74,-0.0 569,-0.0 -0.851 7.8-178.7-117.2 150.1 27.3 -45.4 40.2 8 11 A K - 0 0 153 -2,-0.3 74,-2.0 568,-0.1 2,-0.3 -0.919 26.9-112.9-137.8 164.4 30.2 -43.6 41.9 9 12 A L B -A 81 0A 17 -2,-0.3 72,-0.3 72,-0.2 4,-0.1 -0.680 52.7 -80.4 -96.3 154.2 30.8 -40.7 44.3 10 13 A K - 0 0 71 70,-3.6 3,-0.3 -2,-0.3 -1,-0.1 -0.215 69.4 -80.6 -52.7 140.4 32.7 -37.6 43.1 11 14 A P S S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.197 113.7 17.1 -49.7 136.5 36.5 -38.3 43.2 12 15 A G S S+ 0 0 89 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.923 102.6 122.8 65.8 44.8 38.2 -38.0 46.6 13 16 A M - 0 0 83 -3,-0.3 -1,-0.3 -4,-0.1 2,-0.2 -0.990 47.9-152.2-141.8 147.7 34.9 -38.2 48.4 14 17 A D - 0 0 78 -2,-0.3 3,-0.1 1,-0.1 -4,-0.1 -0.684 36.8 -84.6-110.6 165.1 33.4 -40.3 51.1 15 18 A G - 0 0 2 -2,-0.2 -1,-0.1 1,-0.1 2,-0.1 -0.208 58.7 -81.4 -65.6 162.8 29.8 -41.2 51.8 16 19 A P - 0 0 0 0, 0.0 38,-2.0 0, 0.0 2,-0.4 -0.346 36.7-168.5 -68.0 140.2 27.6 -38.8 53.9 17 20 A K B +b 54 0B 121 36,-0.3 2,-0.4 -3,-0.1 38,-0.1 -0.736 28.6 153.2-129.5 78.6 28.0 -39.1 57.6 18 21 A V - 0 0 48 36,-2.3 2,-0.2 -2,-0.4 58,-0.0 -0.948 43.7-110.2-122.6 141.2 25.0 -37.1 59.0 19 22 A K - 0 0 150 -2,-0.4 2,-0.2 1,-0.1 -2,-0.0 -0.382 26.1-126.0 -67.3 129.1 23.0 -37.2 62.2 20 23 A Q - 0 0 25 -2,-0.2 -1,-0.1 35,-0.1 3,-0.1 -0.548 33.8-116.6 -71.4 133.0 19.4 -38.4 62.2 21 24 A W - 0 0 88 36,-0.3 36,-0.1 -2,-0.2 -1,-0.1 -0.456 37.6 -89.9 -72.5 152.3 17.3 -35.7 63.9 22 25 A P - 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.379 52.2-164.0 -61.7 129.1 15.5 -36.6 67.1 23 26 A L - 0 0 36 -3,-0.1 2,-0.3 -2,-0.1 3,-0.1 0.320 18.3-101.8 -92.1-138.1 12.1 -38.0 66.1 24 27 A T > - 0 0 65 1,-0.1 4,-3.3 0, 0.0 5,-0.3 -0.947 25.3-117.1-152.7 138.2 9.0 -38.6 68.1 25 28 A E H > S+ 0 0 112 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.876 120.6 53.5 -43.9 -41.4 7.7 -42.0 69.5 26 29 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.940 112.6 39.9 -59.3 -52.7 4.8 -41.3 67.2 27 30 A K H > S+ 0 0 72 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.799 113.1 55.8 -69.6 -30.3 6.9 -40.7 64.0 28 31 A I H X S+ 0 0 13 -4,-3.3 4,-1.8 2,-0.2 -1,-0.2 0.915 105.1 53.8 -68.1 -38.6 9.2 -43.6 65.0 29 32 A K H X S+ 0 0 120 -4,-2.4 4,-1.4 -5,-0.3 3,-0.3 0.961 111.5 44.4 -57.7 -54.6 6.2 -45.9 65.1 30 33 A A H >X S+ 0 0 7 -4,-1.8 4,-2.4 1,-0.2 3,-1.2 0.954 110.8 52.3 -56.0 -56.1 5.2 -44.9 61.6 31 34 A L H 3X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.3 -1,-0.2 0.806 108.1 54.5 -52.8 -33.0 8.7 -45.2 60.1 32 35 A V H 3X S+ 0 0 51 -4,-1.8 4,-0.7 -3,-0.3 -1,-0.3 0.823 109.0 45.4 -73.1 -30.7 8.9 -48.6 61.6 33 36 A E H X S+ 0 0 125 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.966 115.6 49.6 -54.3 -48.5 6.4 -53.1 54.7 38 41 A M H 3<>S+ 0 0 23 -4,-2.6 5,-1.1 1,-0.2 6,-0.8 0.749 104.9 52.0 -62.7 -38.8 9.4 -52.2 52.6 39 42 A E H 3<5S+ 0 0 48 -4,-1.4 3,-0.4 1,-0.2 -1,-0.2 0.737 107.6 54.3 -73.0 -22.3 11.9 -54.8 53.7 40 43 A K H <<5S+ 0 0 133 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.681 108.2 51.5 -79.4 -20.4 9.3 -57.6 53.0 41 44 A E T <5S- 0 0 98 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.428 114.4-119.8 -93.9 -1.9 9.1 -56.1 49.5 42 45 A G T 5S+ 0 0 39 -3,-0.4 -3,-0.2 2,-0.3 -4,-0.1 0.275 81.4 120.1 81.3 -9.3 12.9 -56.2 49.1 43 46 A K S - 0 0 38 -2,-0.2 3,-0.7 1,-0.1 -1,-0.1 -0.254 34.7-110.2 -85.5 173.5 25.2 -54.3 60.1 49 52 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.220 103.9 94.5 -85.0 8.8 26.9 -51.6 62.2 50 53 A E T 3 + 0 0 175 1,-0.0 -3,-0.0 2,-0.0 0, 0.0 0.912 69.7 81.4 -63.2 -40.6 29.8 -52.2 59.8 51 54 A N < - 0 0 20 -3,-0.7 -4,-0.1 1,-0.1 -1,-0.0 -0.549 56.9-176.1 -77.7 120.9 28.4 -49.3 57.8 52 55 A P + 0 0 69 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.393 49.5 103.2 -92.4 -4.9 29.4 -45.7 59.1 53 56 A Y - 0 0 26 70,-0.1 2,-0.4 -36,-0.1 -36,-0.3 -0.549 47.6-172.1 -86.6 148.4 27.3 -43.6 56.7 54 57 A N B -b 17 0B 18 -38,-2.0 -36,-2.3 -2,-0.2 73,-0.2 -0.970 15.3-174.9-149.2 137.4 24.1 -41.9 57.6 55 58 A T B -d 127 0C 2 71,-1.1 73,-0.5 -2,-0.4 19,-0.1 -0.985 34.8-110.8-128.5 127.4 21.3 -39.9 56.0 56 59 A P - 0 0 4 0, 0.0 17,-2.0 0, 0.0 2,-0.3 -0.330 31.8-168.4 -59.6 137.3 18.4 -38.2 57.8 57 60 A V E +F 72 0D 0 71,-0.3 -36,-0.3 15,-0.2 2,-0.3 -0.797 10.0 168.9-122.9 153.9 14.9 -39.7 57.5 58 61 A F E -F 71 0D 63 13,-2.5 13,-2.5 -2,-0.3 2,-0.4 -0.928 25.5-119.6-157.1 173.8 11.6 -38.1 58.6 59 62 A A E +F 70 0D 9 -2,-0.3 2,-0.2 11,-0.2 11,-0.2 -0.991 25.6 168.3-130.9 138.5 7.9 -38.6 58.2 60 63 A I E -F 69 0D 62 9,-2.3 9,-4.0 -2,-0.4 2,-0.3 -0.669 29.9-119.0-129.7 178.8 5.1 -36.3 56.8 61 64 A K E -F 68 0D 76 7,-0.3 7,-0.2 -2,-0.2 2,-0.2 -0.841 41.9 -82.0-119.8 162.0 1.5 -37.1 55.9 62 65 A K > - 0 0 87 5,-1.8 3,-2.4 -2,-0.3 5,-0.2 -0.482 56.8 -95.7 -66.1 132.7 -0.2 -36.8 52.5 63 66 A K T 3 S- 0 0 186 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.298 110.6 -3.5 -51.1 116.4 -1.2 -33.2 51.6 64 67 A D T 3 S+ 0 0 175 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.840 122.1 98.5 62.2 37.4 -4.9 -33.0 52.6 65 68 A S S < S- 0 0 60 -3,-2.4 2,-1.1 2,-0.1 -1,-0.2 -0.988 74.6-128.2-149.9 145.5 -4.9 -36.7 53.6 66 69 A T + 0 0 129 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.604 67.9 104.8-100.6 75.4 -4.5 -38.5 56.9 67 70 A K - 0 0 117 -2,-1.1 -5,-1.8 -5,-0.2 2,-0.2 -0.962 67.7-109.9-156.6 135.8 -1.7 -41.0 56.2 68 71 A W E -F 61 0D 47 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.3 -0.460 30.7-172.4 -68.3 131.8 2.1 -41.3 57.0 69 72 A R E -F 60 0D 94 -9,-4.0 -9,-2.3 -2,-0.2 2,-0.6 -0.903 19.2-129.0-125.6 146.0 4.8 -40.8 54.4 70 73 A K E -F 59 0D 12 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.836 22.9-172.7-102.3 122.1 8.5 -41.4 54.5 71 74 A L E -F 58 0D 60 -13,-2.5 -13,-2.5 -2,-0.6 2,-0.5 -0.877 6.7-163.8-112.6 141.0 10.9 -38.6 53.4 72 75 A V E -F 57 0D 19 -2,-0.4 2,-0.9 -15,-0.2 -15,-0.2 -0.998 14.6-142.3-125.7 123.9 14.6 -39.0 53.1 73 76 A D + 0 0 30 -17,-2.0 3,-0.4 -2,-0.5 4,-0.2 -0.784 23.6 173.8 -88.9 101.7 16.7 -35.9 52.8 74 77 A F > + 0 0 5 -2,-0.9 4,-3.1 75,-0.2 5,-0.2 0.208 35.6 121.8 -97.0 20.1 19.5 -36.6 50.3 75 78 A R H > S+ 0 0 179 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 83.0 41.3 -47.8 -43.4 21.2 -33.2 50.0 76 79 A E H > S+ 0 0 59 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.940 113.0 49.3 -74.8 -46.8 24.5 -34.6 51.1 77 80 A L H >> S+ 0 0 1 1,-0.2 4,-1.1 -4,-0.2 3,-1.0 0.985 115.3 50.7 -52.2 -50.4 24.5 -37.9 49.3 78 81 A N H 3< S+ 0 0 38 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 103.5 54.3 -55.9 -38.8 23.6 -35.7 46.3 79 82 A K H 3< S+ 0 0 125 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.840 116.8 40.4 -64.7 -32.8 26.4 -33.2 46.7 80 83 A R H << S+ 0 0 52 -4,-1.7 -70,-3.6 -3,-1.0 2,-0.3 0.537 93.0 102.1 -91.2 -18.4 28.8 -36.1 46.6 81 84 A T B < S-A 9 0A 0 -4,-1.1 -72,-0.2 -72,-0.3 -74,-0.0 -0.606 78.5-106.5 -74.3 137.4 27.2 -38.2 43.9 82 85 A Q - 0 0 29 -74,-2.0 2,-0.2 -2,-0.3 -1,-0.1 0.017 40.0 -98.0 -52.1 157.7 28.7 -38.1 40.4 83 86 A D - 0 0 74 493,-0.1 2,-0.3 -74,-0.0 -1,-0.1 -0.583 38.0-151.8 -81.4 149.7 27.0 -36.2 37.6 84 87 A F - 0 0 26 -2,-0.2 492,-0.2 494,-0.1 2,-0.2 -0.769 34.4 -80.4-115.5 163.9 24.8 -38.2 35.2 85 88 A W S S- 0 0 57 490,-3.0 494,-0.1 -2,-0.3 492,-0.0 -0.503 70.5 -86.5 -63.4 130.2 23.9 -37.6 31.5 86 89 A E - 0 0 96 -2,-0.2 3,-0.2 492,-0.2 -1,-0.1 0.052 39.5-122.4 -40.1 140.5 21.1 -35.0 31.7 87 90 A V - 0 0 43 1,-0.2 2,-0.4 -3,-0.1 68,-0.1 -0.220 70.0 -47.9 -72.8 176.7 17.6 -36.4 32.0 88 91 A Q S S+ 0 0 47 1,-0.2 -1,-0.2 67,-0.0 3,-0.1 -0.323 74.1 167.3 -50.7 99.9 15.3 -35.3 29.2 89 92 A L + 0 0 125 -2,-0.4 2,-0.4 -3,-0.2 -1,-0.2 0.435 59.5 55.9-100.1 -1.2 16.3 -31.6 29.4 90 93 A G S S- 0 0 28 568,-0.1 -1,-0.1 -3,-0.0 0, 0.0 -0.996 75.4-157.0-127.2 132.9 14.7 -30.5 26.0 91 94 A I - 0 0 57 -2,-0.4 568,-0.1 -3,-0.1 567,-0.1 -0.832 22.1 -94.8-116.9 157.5 11.0 -31.2 25.4 92 95 A P - 0 0 8 0, 0.0 566,-0.1 0, 0.0 287,-0.1 -0.272 28.3-135.2 -63.1 141.0 8.7 -31.6 22.2 93 96 A H > - 0 0 22 1,-0.1 3,-2.4 564,-0.1 4,-0.2 -0.865 19.6-127.5 -97.6 135.1 6.9 -28.6 20.8 94 97 A P G > S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 222,-0.3 0.809 104.8 66.3 -47.4 -41.4 3.3 -29.6 19.9 95 98 A A G 3 S+ 0 0 0 1,-0.3 221,-0.2 220,-0.1 252,-0.1 0.645 97.0 55.6 -59.2 -18.1 3.6 -28.3 16.4 96 99 A G G < S+ 0 0 1 -3,-2.4 -1,-0.3 219,-0.1 2,-0.2 0.346 88.8 97.8 -97.0 3.5 6.2 -31.0 15.6 97 100 A L S < S- 0 0 50 -3,-2.0 219,-2.3 -4,-0.2 2,-0.4 -0.580 71.2-127.7 -87.7 160.0 3.9 -33.9 16.6 98 101 A K - 0 0 70 217,-0.2 219,-0.1 -2,-0.2 -2,-0.1 -0.838 32.8-100.9-105.1 142.7 1.8 -36.0 14.1 99 102 A K - 0 0 134 -2,-0.4 2,-0.3 217,-0.4 135,-0.2 -0.255 37.9-165.0 -63.1 149.9 -1.9 -36.4 14.6 100 103 A K - 0 0 43 133,-2.0 89,-0.2 1,-0.1 3,-0.1 -0.870 27.2-132.2-129.7 157.6 -3.1 -39.7 16.1 101 104 A K S S+ 0 0 107 87,-1.4 2,-0.4 1,-0.3 88,-0.2 0.869 95.0 14.0 -79.6 -39.9 -6.6 -41.2 16.3 102 105 A S E -G 188 0E 18 86,-2.9 86,-2.5 131,-0.1 2,-0.4 -1.000 62.2-170.4-140.8 139.0 -6.2 -42.0 20.0 103 106 A V E -G 187 0E 33 -2,-0.4 2,-0.4 84,-0.2 84,-0.3 -0.997 8.0-172.1-126.6 131.4 -3.7 -40.9 22.7 104 107 A T E -G 186 0E 13 82,-2.8 82,-3.1 -2,-0.4 2,-0.6 -0.941 14.5-146.1-123.2 136.0 -3.5 -42.5 26.2 105 108 A V E -G 185 0E 4 115,-0.7 2,-0.6 -2,-0.4 115,-0.5 -0.948 12.0-161.6-106.8 124.0 -1.5 -41.4 29.2 106 109 A L E -G 184 0E 0 78,-3.1 78,-1.0 -2,-0.6 2,-0.5 -0.951 9.1-148.7-105.6 116.3 -0.3 -44.2 31.4 107 110 A D E -G 183 0E 83 -2,-0.6 2,-0.5 76,-0.2 76,-0.2 -0.710 12.2-140.5 -85.3 122.6 0.8 -43.0 34.8 108 111 A V - 0 0 2 74,-2.5 3,-0.4 -2,-0.5 2,-0.4 -0.776 14.8-154.9 -90.4 127.6 3.6 -45.1 36.2 109 112 A G B S+I 212 0F 27 103,-2.4 103,-0.8 -2,-0.5 0, 0.0 -0.842 72.2 1.5-103.8 143.3 3.4 -45.9 39.9 110 113 A D S > S+ 0 0 82 -2,-0.4 4,-1.0 101,-0.1 -1,-0.2 0.849 81.3 162.8 52.4 37.4 6.3 -46.7 42.2 111 114 A A T >4 + 0 0 3 -3,-0.4 3,-2.1 1,-0.2 4,-0.4 0.966 69.1 36.7 -48.2 -68.9 8.4 -46.2 39.2 112 115 A Y G >4 S+ 0 0 52 1,-0.3 3,-2.5 2,-0.2 34,-1.1 0.856 109.3 64.0 -52.5 -47.1 11.8 -45.8 41.0 113 116 A F G 34 S+ 0 0 27 1,-0.3 -1,-0.3 32,-0.2 -2,-0.2 0.658 97.2 57.7 -57.0 -15.6 10.9 -48.3 43.6 114 117 A S G << S+ 0 0 34 -3,-2.1 -1,-0.3 -4,-1.0 -112,-0.3 0.555 92.8 84.5 -92.8 -5.8 10.8 -51.1 40.9 115 118 A V S < S- 0 0 5 -3,-2.5 31,-1.5 -4,-0.4 42,-0.1 -0.832 77.0-126.2-106.8 128.9 14.4 -50.4 39.7 116 119 A P B -J 145 0G 30 0, 0.0 -111,-0.4 0, 0.0 2,-0.3 -0.275 19.6-136.9 -66.8 153.9 17.5 -51.9 41.4 117 120 A L - 0 0 2 27,-2.3 5,-0.2 -113,-0.1 -113,-0.1 -0.862 39.1 -77.1-115.5 146.3 20.4 -49.7 42.6 118 121 A D >> - 0 0 18 -113,-0.5 3,-2.7 -2,-0.3 4,-1.6 -0.170 38.9-137.3 -49.2 117.8 24.1 -50.4 42.1 119 122 A E T 34 S+ 0 0 127 1,-0.3 3,-0.5 2,-0.2 4,-0.5 0.871 102.9 47.0 -41.2 -51.6 25.1 -53.1 44.6 120 123 A D T 34 S+ 0 0 96 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.522 112.5 51.2 -76.6 -3.5 28.4 -51.4 45.6 121 124 A F T X4 S+ 0 0 1 -3,-2.7 3,-1.7 2,-0.1 4,-0.4 0.680 83.9 86.8-103.2 -21.5 26.6 -48.0 45.9 122 125 A R G >< S+ 0 0 52 -4,-1.6 3,-2.1 -3,-0.5 21,-0.6 0.799 77.8 68.5 -45.4 -40.2 23.8 -49.2 48.3 123 126 A K G > S+ 0 0 84 -4,-0.5 3,-1.4 1,-0.3 -1,-0.3 0.879 92.2 58.5 -51.7 -39.4 26.0 -48.6 51.3 124 127 A Y G < S+ 0 0 33 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.725 94.0 68.3 -69.2 -12.3 25.9 -44.8 50.8 125 128 A T G < S+ 0 0 1 -3,-2.1 -1,-0.3 -4,-0.4 -2,-0.2 0.185 72.4 139.5 -91.0 16.8 22.1 -44.9 51.0 126 129 A A < + 0 0 0 -3,-1.4 -71,-1.1 16,-0.2 2,-0.3 -0.376 21.4 166.2 -65.3 142.7 22.1 -45.8 54.7 127 130 A F E -dE 55 141C 0 14,-1.9 14,-1.9 -73,-0.2 2,-0.4 -0.927 25.1-125.1-146.2 166.6 19.7 -44.2 57.1 128 131 A T E - 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