==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/RNA 07-MAR-12 4AM3 . COMPND 2 MOLECULE: POLYRIBONUCLEOTIDE NUCLEOTIDYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CAULOBACTER VIBRIOIDES; . AUTHOR S.W.HARDWICK,T.GUBBEY,I.HUG,U.JENAL,B.F.LUISI . 1859 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 73339.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1284 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 370 19.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 23 1.2 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 . 4 0.2 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 . 154 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 155 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 496 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 2 5 2 1 0 1 3 3 0 1 10 3 7 0 0 2 1 1 1 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 3 3 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 . 11 5 2 9 11 3 12 6 3 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 3 0 3 2 1 0 3 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 G 0 0 8 0, 0.0 954,-0.1 0, 0.0 971,-0.0 0.000 360.0 360.0 360.0 125.5 -12.9 17.7 -34.3 2 0 A S - 0 0 120 1,-0.1 2,-0.2 952,-0.1 953,-0.0 -0.112 360.0-148.0 -53.2 143.6 -14.9 14.4 -34.0 3 1 A M - 0 0 37 2,-0.1 2,-0.2 22,-0.0 21,-0.2 -0.710 15.1-150.0-117.7 157.8 -18.7 15.0 -33.5 4 2 A F + 0 0 159 19,-0.9 2,-0.4 -2,-0.2 20,-0.1 -0.607 30.6 174.2-135.1 76.9 -21.4 13.2 -31.7 5 3 A D - 0 0 47 -2,-0.2 2,-0.2 18,-0.1 18,-0.1 -0.927 23.9-170.2-107.2 142.4 -24.8 13.7 -33.4 6 4 A I - 0 0 37 -2,-0.4 16,-2.3 14,-0.1 2,-0.3 -0.454 16.8-174.1 73.5 88.1 -27.6 12.5 -32.9 7 5 A K B -A 21 0A 83 14,-0.2 14,-0.2 -2,-0.2 12,-0.0 -0.841 26.2-148.8-144.1 154.7 -30.1 13.3 -35.6 8 6 A R + 0 0 67 12,-1.3 2,-1.0 -2,-0.3 12,-0.3 -0.446 24.5 171.4-132.0 60.5 -33.8 12.6 -35.9 9 7 A K + 0 0 133 10,-0.2 10,-0.1 11,-0.1 12,-0.1 0.284 49.9 111.5 -58.3 19.5 -33.8 12.3 -39.8 10 8 A T + 0 0 42 -2,-1.0 8,-0.4 10,-0.1 3,-0.1 0.229 26.8 73.4 -90.9-163.2 -37.3 11.2 -39.2 11 9 A I - 0 0 27 1,-0.2 7,-1.4 6,-0.1 2,-0.7 0.781 48.6-143.9 60.0 117.6 -40.8 12.2 -39.7 12 10 A E E -F 17 0B 119 5,-0.2 2,-0.6 3,-0.0 5,-0.2 -0.983 34.7-169.8 -91.6 120.8 -42.5 12.2 -42.9 13 11 A W E > -F 16 0B 5 3,-3.6 3,-1.8 -2,-0.7 201,-0.0 -0.946 63.8 -24.4-126.3 112.4 -44.4 15.3 -42.2 14 12 A G T 3 S- 0 0 40 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.826 124.3 -57.8 55.3 33.6 -47.1 16.2 -44.5 15 13 A G T 3 S+ 0 0 54 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.735 118.8 110.0 66.4 20.2 -45.3 14.2 -47.1 16 14 A K E < S-F 13 0B 38 -3,-1.8 -3,-3.6 2,-0.0 2,-0.8 -0.923 73.2-116.9-113.7 155.7 -42.1 16.3 -46.7 17 15 A T E -F 12 0B 65 -2,-0.3 21,-2.2 -5,-0.2 2,-0.5 -0.811 28.0-162.6 -98.5 115.8 -39.0 14.9 -45.0 18 16 A L E - B 0 37A 2 -7,-1.4 2,-0.4 -2,-0.8 19,-0.2 -0.805 5.5-171.9-100.2 120.3 -38.0 16.6 -41.8 19 17 A V E - B 0 36A 16 17,-3.0 17,-2.5 -2,-0.5 2,-0.5 -0.933 6.4-169.0-110.6 134.0 -34.5 16.2 -40.4 20 18 A L E - B 0 35A 1 -2,-0.4 -12,-1.3 -12,-0.3 2,-0.4 -0.928 14.3-178.9-120.3 107.9 -33.4 17.5 -37.0 21 19 A E E +AB 7 34A 16 13,-2.2 13,-2.5 -2,-0.5 2,-0.3 -0.853 6.9 167.8-112.7 141.6 -29.6 17.4 -36.3 22 20 A T + 0 0 21 -16,-2.3 11,-0.1 -2,-0.4 4,-0.1 -0.916 52.6 45.7-139.3 162.1 -27.6 18.4 -33.3 23 21 A G S S+ 0 0 19 9,-0.5 -19,-0.9 2,-0.4 -18,-0.1 0.292 98.0 69.2 89.3 -16.1 -24.0 17.9 -32.1 24 22 A R S S+ 0 0 30 1,-0.2 2,-0.4 8,-0.2 3,-0.3 0.831 97.0 46.2 -90.6 -51.2 -22.1 18.7 -35.3 25 23 A I S S- 0 0 8 1,-0.2 -2,-0.4 7,-0.2 -1,-0.2 -0.802 117.4 -4.5-107.6 135.7 -22.8 22.5 -35.6 26 24 A A > + 0 0 1 -2,-0.4 3,-1.3 1,-0.1 -1,-0.2 0.941 64.3 169.9 60.1 54.0 -22.6 25.3 -33.0 27 25 A R T 3 + 0 0 84 -3,-0.3 -1,-0.1 1,-0.3 1033,-0.1 0.530 69.1 66.4 -75.5 -4.8 -21.7 23.0 -30.1 28 26 A Q T 3 S+ 0 0 58 1031,-0.3 -1,-0.3 984,-0.1 1032,-0.1 0.598 83.2 86.5 -94.2 -16.4 -21.0 26.1 -27.9 29 27 A A S < S- 0 0 6 -3,-1.3 18,-0.2 1030,-0.2 3,-0.2 -0.332 91.8-115.4 -66.4 163.4 -24.6 27.3 -27.9 30 28 A D S S+ 0 0 23 16,-1.1 2,-0.3 1,-0.3 17,-0.2 0.938 101.2 6.6 -69.0 -42.9 -26.8 25.9 -25.2 31 29 A G E S+ C 0 46A 3 15,-2.5 15,-2.9 112,-0.1 2,-0.3 -0.997 70.1 177.6-139.7 138.0 -28.9 24.3 -27.9 32 30 A A E + C 0 45A 7 -2,-0.3 2,-0.5 13,-0.2 -9,-0.5 -0.886 0.7 178.1-146.0 115.1 -28.3 24.1 -31.7 33 31 A V E - C 0 44A 0 11,-1.9 11,-2.8 -2,-0.3 2,-0.8 -0.948 18.7-155.9-121.5 128.6 -30.3 22.3 -34.3 34 32 A L E -BC 21 43A 16 -13,-2.5 -13,-2.2 -2,-0.5 2,-0.4 -0.896 26.4-166.9 -93.6 105.1 -29.8 22.2 -38.0 35 33 A A E -BC 20 42A 0 7,-2.2 7,-2.9 -2,-0.8 2,-0.5 -0.844 9.8-171.4 -99.9 136.4 -33.3 21.5 -39.4 36 34 A T E -BC 19 41A 34 -17,-2.5 -17,-3.0 -2,-0.4 2,-0.6 -0.975 13.6-169.3-123.2 130.4 -34.0 20.4 -43.0 37 35 A M E > S-BC 18 40A 4 3,-2.7 3,-1.2 -2,-0.5 -19,-0.2 -0.795 76.6 -56.6-116.6 89.4 -37.4 20.2 -44.5 38 36 A G T 3 S- 0 0 27 -21,-2.2 2,-0.7 -2,-0.6 88,-0.2 0.916 123.0 -18.0 32.8 98.3 -36.5 18.4 -47.8 39 37 A E T 3 S+ 0 0 95 1,-0.1 2,-0.6 -22,-0.1 -1,-0.2 0.111 114.6 100.2 69.5 -25.3 -33.9 20.7 -49.3 40 38 A T E < -C 37 0A 0 -3,-1.2 -3,-2.7 -2,-0.7 2,-0.4 -0.873 57.5-169.6 -85.7 127.9 -34.8 23.9 -47.2 41 39 A V E +CD 36 121A 8 80,-2.6 79,-2.5 -2,-0.6 80,-1.5 -0.965 12.3 174.3-123.5 128.9 -32.2 24.1 -44.5 42 40 A V E -CD 35 119A 0 -7,-2.9 -7,-2.2 -2,-0.4 2,-0.5 -0.953 20.6-144.5-129.1 152.5 -32.1 26.4 -41.4 43 41 A L E -CD 34 118A 2 75,-2.8 75,-3.3 -2,-0.3 2,-0.4 -0.973 18.9-173.7-112.7 122.0 -29.8 26.6 -38.4 44 42 A A E -CD 33 117A 0 -11,-2.8 -11,-1.9 -2,-0.5 2,-0.3 -0.918 1.1-174.6-115.3 136.9 -31.4 27.6 -35.1 45 43 A T E -CD 32 116A 2 71,-2.1 71,-1.7 -2,-0.4 2,-0.4 -0.964 8.7-163.0-124.9 149.0 -29.5 28.3 -31.9 46 44 A A E +CD 31 115A 0 -15,-2.9 -15,-2.5 -2,-0.3 -16,-1.1 -0.999 12.3 174.2-126.5 130.7 -30.6 29.0 -28.3 47 45 A V E - D 0 114A 4 67,-1.5 67,-3.1 -2,-0.4 2,-0.4 -0.999 6.2-171.4-132.9 138.8 -28.4 30.5 -25.7 48 46 A F E - D 0 113A 9 -2,-0.4 65,-0.2 65,-0.2 2,-0.1 -0.992 26.2-117.6-133.0 134.5 -29.3 31.6 -22.1 49 47 A A - 0 0 33 63,-2.2 62,-0.1 -2,-0.4 967,-0.1 -0.382 19.9-139.5 -63.1 138.6 -27.4 33.6 -19.4 50 48 A K S S+ 0 0 100 -2,-0.1 2,-0.3 61,-0.1 -1,-0.1 0.508 81.5 32.9 -85.6 4.8 -26.9 31.5 -16.3 51 49 A S S S- 0 0 86 61,-0.1 61,-0.5 59,-0.0 2,-0.3 -0.929 86.3 -99.3-150.9 166.3 -27.6 34.4 -14.0 52 50 A Q - 0 0 77 -2,-0.3 59,-0.1 59,-0.1 -2,-0.0 -0.693 32.5-114.8 -96.4 144.1 -29.8 37.5 -13.8 53 51 A K > - 0 0 111 57,-0.4 3,-1.1 -2,-0.3 -1,-0.0 -0.555 55.4 -82.3 -70.1 140.0 -28.7 41.1 -14.6 54 52 A P T 3 S- 0 0 131 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 0.632 112.5 -3.7 -5.0-102.1 -28.8 43.3 -11.4 55 53 A G T 3 S+ 0 0 55 1,-0.2 -2,-0.0 240,-0.0 0, 0.0 -0.697 80.3 176.9-110.8 79.2 -32.5 44.3 -11.0 56 54 A Q < - 0 0 27 -3,-1.1 -1,-0.2 -2,-0.9 3,-0.1 0.931 6.9-175.5 -55.9 -75.2 -33.9 42.8 -14.2 57 55 A D + 0 0 117 53,-0.0 2,-0.3 3,-0.0 -1,-0.1 -0.249 60.4 36.4 113.0 -47.6 -37.6 43.6 -14.1 58 56 A F S S- 0 0 119 52,-0.2 52,-0.0 -2,-0.0 0, 0.0 -0.902 91.2 -92.5-140.9 158.4 -38.8 41.7 -17.2 59 57 A F - 0 0 33 -2,-0.3 2,-1.3 1,-0.1 51,-0.1 -0.717 38.3-148.0 -77.8 115.2 -38.0 38.5 -19.1 60 58 A P + 0 0 7 0, 0.0 53,-2.0 0, 0.0 2,-0.4 -0.612 29.1 164.7 -92.8 81.1 -35.4 39.5 -21.7 61 59 A L E -e 113 0A 7 -2,-1.3 2,-0.4 51,-0.2 53,-0.2 -0.822 12.8-171.9 -97.8 132.7 -36.1 37.2 -24.7 62 60 A T E -e 114 0A 56 51,-3.0 53,-3.1 -2,-0.4 2,-0.5 -0.980 5.7-171.0-130.0 131.6 -34.6 38.0 -28.2 63 61 A V E -e 115 0A 0 -2,-0.4 2,-0.6 51,-0.2 53,-0.2 -0.964 0.7-172.8-121.3 126.1 -35.3 36.3 -31.5 64 62 A N E -e 116 0A 25 51,-3.1 53,-3.4 -2,-0.5 2,-0.6 -0.883 1.6-177.0-119.1 102.4 -33.4 36.9 -34.7 65 63 A Y E +e 117 0A 6 -2,-0.6 2,-0.4 25,-0.4 29,-0.2 -0.865 16.9 174.3 -93.3 128.8 -34.6 35.3 -37.8 66 64 A Q E -e 118 0A 35 51,-3.2 53,-2.8 -2,-0.6 2,-0.4 -0.982 23.0-150.1-139.5 142.1 -32.3 36.0 -40.7 67 65 A E E -e 119 0A 18 -2,-0.4 2,-0.6 51,-0.2 53,-0.1 -0.899 8.5-151.6-107.7 140.0 -32.0 35.0 -44.3 68 66 A K > - 0 0 11 51,-1.1 3,-3.0 -2,-0.4 4,-0.2 -0.960 16.0-137.4-112.0 122.9 -28.7 34.8 -46.2 69 67 A T G > >S+ 0 0 27 -2,-0.6 5,-2.2 1,-0.3 3,-1.5 0.701 99.8 69.7 -55.7 -20.2 -29.0 35.4 -49.9 70 68 A F G > 5S+ 0 0 0 1,-0.3 3,-1.8 3,-0.2 -1,-0.3 0.706 79.1 80.6 -69.0 -15.6 -26.6 32.5 -50.7 71 69 A A G < 5S+ 0 0 2 -3,-3.0 51,-3.3 1,-0.3 -1,-0.3 0.652 104.0 32.3 -67.4 -11.4 -29.4 30.3 -49.5 72 70 A A G < 5S- 0 0 25 -3,-1.5 -1,-0.3 2,-0.2 -2,-0.2 -0.022 122.5-102.2-133.2 22.9 -30.9 30.7 -53.0 73 71 A G T < 5S+ 0 0 17 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.798 81.7 125.3 67.0 31.8 -27.7 31.1 -54.9 74 72 A K < - 0 0 78 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.2 -0.880 56.8-132.5-126.3 155.5 -27.9 34.8 -55.1 75 73 A I - 0 0 11 -2,-0.3 7,-0.1 -3,-0.1 6,-0.1 -0.912 42.0 -98.2-105.1 131.1 -25.8 37.8 -54.3 76 74 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 7,-0.0 -0.052 25.4-139.8 -49.8 143.8 -27.5 40.7 -52.4 77 75 A G + 0 0 55 293,-0.1 6,-0.0 4,-0.1 -2,-0.0 0.473 62.7 114.0 -89.1 -3.1 -28.6 43.5 -54.8 78 76 A G S S- 0 0 41 1,-0.1 5,-0.0 4,-0.1 -3,-0.0 0.064 84.7-107.4 -53.9 173.1 -27.6 46.4 -52.5 79 77 A F S S+ 0 0 112 1,-0.2 912,-0.3 911,-0.1 -1,-0.1 0.693 127.5 47.9 -73.3 -16.4 -24.8 48.9 -53.4 80 78 A F S S- 0 0 98 2,-0.2 -1,-0.2 910,-0.1 3,-0.1 0.665 96.9-144.1 -94.4 -20.5 -23.0 47.0 -50.6 81 79 A K + 0 0 25 1,-0.2 2,-0.4 -6,-0.1 -4,-0.1 0.689 66.3 107.0 61.4 23.3 -23.8 43.5 -51.9 82 80 A R S S- 0 0 46 -7,-0.1 -1,-0.2 -13,-0.0 -2,-0.2 -0.972 80.9-104.9-127.7 141.2 -24.2 42.3 -48.2 83 81 A E + 0 0 35 -2,-0.4 939,-0.2 1,-0.1 -15,-0.0 -0.435 54.2 156.7 -59.0 138.3 -27.3 41.5 -46.3 84 82 A G + 0 0 54 1,-0.5 938,-0.2 938,-0.1 -1,-0.1 0.171 40.9 23.9-128.8-120.5 -28.0 44.4 -43.8 85 83 A R S S- 0 0 211 1,-0.1 -1,-0.5 936,-0.1 2,-0.1 -0.176 93.0 -91.0 -46.7 148.5 -31.1 45.8 -42.0 86 84 A P - 0 0 74 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.422 40.5-127.8 -69.8 147.3 -33.7 43.1 -41.6 87 85 A S > - 0 0 44 -3,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.417 30.1 -98.8 -78.2 168.9 -36.4 42.8 -44.3 88 86 A E H > S+ 0 0 76 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.943 127.5 49.3 -51.1 -50.5 -40.1 42.8 -43.7 89 87 A K H > S+ 0 0 51 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.949 111.2 50.0 -54.5 -52.0 -40.1 39.0 -43.8 90 88 A E H > S+ 0 0 22 1,-0.2 4,-1.2 2,-0.2 -25,-0.4 0.861 113.2 45.3 -53.4 -44.3 -37.2 38.9 -41.4 91 89 A T H X S+ 0 0 11 -4,-2.8 4,-1.6 2,-0.2 3,-0.3 0.970 115.4 45.5 -68.7 -48.7 -38.9 41.1 -39.0 92 90 A L H X S+ 0 0 18 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.882 110.5 52.2 -65.3 -41.6 -42.3 39.4 -39.1 93 91 A V H X S+ 0 0 4 -4,-3.1 4,-1.6 -5,-0.3 -1,-0.2 0.822 105.6 56.2 -66.2 -33.0 -40.9 35.9 -38.8 94 92 A S H X S+ 0 0 2 -4,-1.2 4,-2.5 -3,-0.3 -1,-0.2 0.913 110.5 45.1 -59.3 -43.2 -38.9 36.9 -35.8 95 93 A R H X S+ 0 0 49 -4,-1.6 4,-3.1 1,-0.2 -2,-0.2 0.912 107.6 58.3 -66.0 -42.8 -42.2 38.0 -34.2 96 94 A L H < S+ 0 0 16 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.7 38.2 -53.5 -39.9 -43.8 34.8 -35.4 97 95 A I H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.1 -1,-0.2 0.888 115.2 54.1 -78.5 -43.1 -41.3 32.8 -33.4 98 96 A D H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 3,-0.3 0.914 99.1 62.8 -55.8 -52.1 -41.2 35.2 -30.5 99 97 A R H < S+ 0 0 30 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.1 0.851 105.9 37.9 -51.7 -54.4 -44.9 35.2 -29.8 100 98 A P H 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.827 120.1 44.4 -69.8 -31.3 -45.6 31.5 -28.8 101 99 A I H >< S+ 0 0 0 -4,-1.2 3,-3.0 -3,-0.3 4,-0.3 0.874 95.5 74.1 -84.0 -35.9 -42.4 30.8 -26.9 102 100 A R G >< S+ 0 0 90 -4,-2.4 3,-1.3 1,-0.3 -1,-0.2 0.886 100.4 43.2 -43.5 -52.8 -42.2 34.0 -24.8 103 101 A P G 3 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.324 100.7 74.1 -84.6 14.0 -45.0 33.0 -22.4 104 102 A L G < + 0 0 12 -3,-3.0 44,-2.8 2,-0.1 2,-0.5 0.378 67.9 106.1-102.3 4.1 -43.7 29.4 -22.2 105 103 A F B < S-G 147 0C 19 -3,-1.3 42,-0.2 -4,-0.3 3,-0.2 -0.728 86.7 -91.3 -86.9 132.7 -40.8 30.2 -19.9 106 104 A V > - 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0 0 36 306,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.272 25.0-119.3 -67.0 152.9 -66.4 31.2 -42.7 200 198 A E H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.895 117.4 56.9 -52.7 -42.9 -65.6 31.2 -38.9 201 199 A E H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.913 110.0 40.9 -52.1 -54.5 -66.5 27.5 -39.1 202 200 A I H > S+ 0 0 50 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.911 115.6 50.5 -69.1 -42.0 -63.9 26.8 -41.8 203 201 A V H X S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.914 111.8 45.9 -59.6 -51.2 -61.2 28.9 -40.3 204 202 A L H X S+ 0 0 14 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.848 108.3 59.7 -60.9 -32.4 -61.5 27.4 -36.8 205 203 A G H X S+ 0 0 23 -4,-1.6 4,-2.3 -5,-0.3 -2,-0.2 0.922 104.5 49.2 -58.3 -45.3 -61.5 24.1 -38.5 206 204 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.813 105.0 58.4 -66.7 -31.9 -58.1 24.9 -39.9 207 205 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.940 111.0 41.2 -62.8 -45.7 -56.9 25.9 -36.5 208 206 A N H X S+ 0 0 44 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.869 110.0 59.6 -69.3 -35.0 -57.7 22.5 -35.1 209 207 A F H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.906 108.3 44.7 -55.8 -46.6 -56.4 20.8 -38.2 210 208 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.923 107.7 58.3 -63.9 -43.2 -53.0 22.4 -37.6 211 209 A H H < S+ 0 0 35 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.862 111.6 40.9 -59.4 -37.1 -53.0 21.5 -34.0 212 210 A Q H >< S+ 0 0 115 -4,-2.0 3,-1.3 1,-0.2 4,-0.5 0.938 114.0 51.3 -73.5 -50.3 -53.4 17.8 -34.7 213 211 A Q H 3< S+ 0 0 69 -4,-2.3 4,-0.3 1,-0.3 3,-0.3 0.683 105.4 57.3 -63.3 -22.0 -50.9 17.8 -37.6 214 212 A M T >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-1.0 0.668 83.8 80.6 -84.0 -16.2 -48.2 19.5 -35.6 215 213 A Q H <> S+ 0 0 44 -3,-1.3 4,-3.2 -4,-0.4 5,-0.3 0.884 83.9 64.6 -54.5 -38.5 -48.2 16.9 -32.8 216 214 A A H 3> S+ 0 0 39 -4,-0.5 4,-2.0 -3,-0.3 -1,-0.3 0.863 106.6 42.0 -51.1 -41.5 -46.0 14.7 -35.1 217 215 A V H <> S+ 0 0 0 -3,-1.0 4,-2.4 -4,-0.3 -1,-0.2 0.879 110.4 55.0 -80.6 -39.2 -43.3 17.3 -34.9 218 216 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 3,-0.4 0.980 110.8 46.7 -53.6 -54.3 -43.7 18.0 -31.2 219 217 A D H X S+ 0 0 91 -4,-3.2 4,-2.7 1,-0.3 -2,-0.2 0.912 109.0 55.3 -54.9 -49.3 -43.2 14.2 -30.6 220 218 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.3 0.889 110.9 45.4 -48.2 -47.1 -40.2 14.2 -32.9 221 219 A I H X S+ 0 0 1 -4,-2.4 4,-3.0 -3,-0.4 5,-0.2 0.952 109.8 52.5 -64.5 -51.2 -38.6 17.0 -30.8 222 220 A I H X S+ 0 0 63 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.894 110.5 51.5 -51.6 -39.3 -39.4 15.3 -27.5 223 221 A D H X S+ 0 0 44 -4,-2.7 4,-0.9 -5,-0.2 -1,-0.2 0.932 110.6 45.0 -63.2 -49.0 -37.7 12.2 -28.9 224 222 A L H >X S+ 0 0 3 -4,-2.1 4,-1.1 1,-0.2 3,-0.5 0.871 109.7 57.6 -66.9 -33.3 -34.5 14.1 -30.0 225 223 A A H >X S+ 0 0 19 -4,-3.0 4,-3.3 1,-0.2 3,-0.6 0.918 102.6 53.6 -63.9 -38.8 -34.4 15.9 -26.6 226 224 A E H 3< S+ 0 0 150 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.752 114.7 40.8 -70.8 -21.0 -34.3 12.6 -24.7 227 225 A H H << S+ 0 0 124 -4,-0.9 -1,-0.2 -3,-0.5 -2,-0.2 0.597 137.6 8.3 -94.7 -12.2 -31.3 11.4 -26.7 228 226 A A H << S+ 0 0 28 -4,-1.1 -3,-0.2 -3,-0.6 -2,-0.2 0.522 86.2 118.7-149.7 -13.8 -29.5 14.7 -26.8 229 227 A A < - 0 0 39 -4,-3.3 -86,-0.2 -5,-0.3 -87,-0.1 -0.138 60.2-109.1 -65.4 167.5 -30.9 17.5 -24.6 230 228 A K - 0 0 109 -88,-1.4 -86,-0.1 1,-0.1 -1,-0.1 -0.296 42.5 -75.6 -87.6 173.1 -28.8 19.0 -21.8 231 229 A E - 0 0 170 1,-0.1 -1,-0.1 -88,-0.1 3,-0.1 -0.562 64.6-100.3 -63.7 128.6 -29.2 18.7 -18.1 232 230 A P - 0 0 99 0, 0.0 2,-0.5 0, 0.0 -87,-0.2 -0.300 35.0-112.9 -57.6 139.0 -32.1 21.1 -17.2 233 231 A F - 0 0 53 -89,-3.1 2,-0.5 1,-0.1 -89,-0.0 -0.639 36.4-116.7 -70.1 117.2 -30.9 24.4 -15.8 234 232 A A + 0 0 98 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 -0.428 60.0 137.4 -63.7 111.0 -32.0 24.4 -12.2 235 233 A F - 0 0 68 -2,-0.5 -126,-0.1 -90,-0.0 -129,-0.1 -0.748 32.3-162.9-152.5 109.4 -34.5 27.2 -11.7 236 234 A E - 0 0 174 -2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.760 19.8-124.0 -95.1 136.6 -37.6 26.4 -9.6 237 235 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.193 29.8-113.1 -60.5-170.0 -40.6 28.8 -9.8 238 236 A E - 0 0 100 -131,-0.1 2,-0.4 0, 0.0 3,-0.1 -0.912 14.6-121.5-140.2 113.6 -41.9 30.3 -6.6 239 237 A D + 0 0 130 -2,-0.4 4,-0.4 1,-0.2 3,-0.1 -0.337 37.1 173.3 -53.0 105.8 -45.2 29.5 -4.9 240 238 A T > + 0 0 15 -2,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.643 62.1 83.6 -95.3 -21.6 -46.5 33.1 -5.0 241 239 A D H > S+ 0 0 59 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.798 84.9 66.1 -45.4 -36.9 -49.9 32.1 -3.7 242 240 A A H >> S+ 0 0 63 2,-0.2 3,-1.1 -3,-0.1 4,-0.6 0.986 113.8 22.6 -49.1 -79.1 -48.2 32.3 -0.3 243 241 A I H >> S+ 0 0 21 -4,-0.4 3,-2.7 1,-0.2 4,-0.9 0.957 113.5 72.8 -55.5 -51.6 -47.5 36.0 -0.2 244 242 A K H 3X S+ 0 0 30 -4,-2.6 4,-0.9 1,-0.3 -1,-0.2 0.513 91.9 54.7 -47.3 -28.7 -50.2 36.9 -2.7 245 243 A A H X>S+ 0 0 1 -4,-0.9 4,-1.6 1,-0.2 5,-0.9 0.802 100.6 61.3 -75.8 -29.8 -51.6 41.5 -0.3 248 246 A K H 3X5S+ 0 0 62 -4,-0.9 4,-0.7 1,-0.2 -1,-0.2 0.897 101.5 56.0 -57.6 -40.2 -55.2 40.9 -1.3 249 247 A D H 3<5S+ 0 0 139 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.682 118.1 32.4 -65.6 -23.3 -56.0 41.8 2.3 250 248 A L H XX5S+ 0 0 58 -3,-0.7 3,-0.7 -4,-0.6 4,-0.6 0.865 134.0 15.1 -96.9 -73.6 -54.2 45.1 2.0 251 249 A V H 3X5S+ 0 0 0 -4,-1.6 4,-3.6 1,-0.2 5,-0.3 0.594 98.1 93.2 -87.9 -9.7 -54.4 46.7 -1.5 252 250 A G H 3X S+ 0 0 69 -3,-0.7 4,-1.3 -5,-0.2 -1,-0.3 0.803 115.2 55.9 -82.2 -46.3 -59.6 47.3 -1.8 254 252 A D H X S+ 0 0 59 -4,-0.6 4,-0.7 1,-0.2 -2,-0.2 0.817 111.4 44.1 -59.1 -34.6 -57.1 50.0 -2.7 255 253 A I H X S+ 0 0 2 -4,-3.6 4,-1.7 2,-0.2 3,-0.5 0.892 103.9 61.3 -72.9 -46.5 -56.9 48.8 -6.3 256 254 A A H X S+ 0 0 44 -4,-0.6 4,-2.2 -5,-0.3 -2,-0.2 0.818 106.0 47.3 -56.2 -36.1 -60.6 48.2 -7.0 257 255 A A H X S+ 0 0 53 -4,-1.3 4,-0.6 2,-0.2 -1,-0.3 0.850 105.8 57.5 -74.8 -36.7 -61.5 51.8 -6.4 258 256 A A H < S+ 0 0 3 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.816 110.0 44.1 -66.4 -38.1 -58.7 53.2 -8.6 259 257 A Y H < S+ 0 0 27 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.977 106.3 58.8 -63.4 -59.9 -59.9 51.2 -11.6 260 258 A K H < S+ 0 0 173 -4,-2.2 -2,-0.3 -5,-0.2 -1,-0.2 0.740 103.4 72.7 -36.9 -25.5 -63.4 52.4 -10.6 261 259 A I S < S- 0 0 75 -4,-0.6 2,-0.1 -5,-0.1 -2,-0.1 0.369 80.2-159.1 -66.6-146.4 -61.5 55.7 -11.1 262 260 A Q + 0 0 111 -4,-0.1 4,-0.1 59,-0.0 -3,-0.0 -0.170 45.0 13.7 112.8 144.3 -60.7 56.7 -14.8 263 261 A K + 0 0 66 2,-0.3 3,-0.3 -2,-0.1 -4,-0.0 0.485 63.5 120.5-105.8 129.5 -59.1 58.3 -16.6 264 262 A K - 0 0 117 1,-2.7 2,-0.2 0, 0.0 4,-0.1 0.715 63.6-146.1 -95.9 -26.4 -56.0 59.8 -14.9 265 263 A Q S S+ 0 0 66 2,-0.0 -1,-2.7 3,-0.0 -2,-0.3 -0.836 77.3 76.9 -46.0 -41.8 -54.8 58.1 -17.1 266 264 A D S S- 0 0 104 -3,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.781 81.1-142.6-130.8 -44.6 -52.8 57.9 -14.8 267 265 A R > + 0 0 39 -2,-0.1 4,-2.8 -9,-0.1 3,-0.1 -0.000 33.7 158.0-115.0 99.1 -53.2 56.2 -12.5 268 266 A Y H > S+ 0 0 51 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.815 84.0 58.0 -38.2 -45.2 -51.9 58.1 -9.5 269 267 A E H > S+ 0 0 39 2,-0.2 4,-1.8 1,-0.2 5,-0.4 0.970 109.6 39.2 -48.9 -73.3 -54.2 55.9 -7.4 270 268 A A H > S+ 0 0 16 3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.946 114.5 61.4 -41.6 -49.8 -52.8 52.5 -8.5 271 269 A V H < S+ 0 0 95 -4,-2.8 3,-0.4 2,-0.2 -2,-0.2 0.888 117.6 21.8 -44.6 -76.8 -49.4 54.3 -8.4 272 270 A G H <>S+ 0 0 43 -4,-2.6 5,-1.3 1,-0.2 -2,-0.2 0.979 122.9 52.0 -54.8 -67.8 -49.4 55.1 -4.6 273 271 A A H <5S+ 0 0 31 -4,-1.8 -1,-0.2 -5,-0.3 5,-0.2 0.572 119.9 34.1 -63.8 -12.6 -51.8 52.6 -3.2 274 272 A A T >X5S+ 0 0 2 -4,-2.2 4,-1.8 -5,-0.4 3,-1.0 0.474 114.7 55.8 -83.9-114.9 -50.2 49.6 -4.7 275 273 A K H 3>5S+ 0 0 41 1,-0.3 4,-2.3 2,-0.2 3,-0.2 0.295 125.2 0.3 46.4-143.8 -46.6 50.5 -4.7 276 274 A K H 3>5S+ 0 0 180 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.698 126.0 69.4 -50.2 -28.0 -45.0 51.5 -1.4 277 275 A K H <> - 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