==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 01-MAY-13 4KHS . COMPND 2 MOLECULE: DNA POLYMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE RB69; . AUTHOR A.R.CLAUSEN,L.C.PEDERSEN . 893 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39195.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 13.0 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 . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 67 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 305 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 2 0 3 2 3 1 0 2 1 5 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 3 RESIDUES PER ALPHA HELIX . 1 2 1 0 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 . 4 5 2 3 4 2 3 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 5 0 0 1 0 0 1 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 M 0 0 111 0, 0.0 2,-0.2 0, 0.0 23,-0.2 0.000 360.0 360.0 360.0 165.6 36.5 -20.1 -34.0 2 2 A K - 0 0 121 1,-0.1 18,-0.0 100,-0.1 2,-0.0 -0.524 360.0-112.6 -70.6 137.7 35.2 -16.6 -34.6 3 3 A E - 0 0 60 -2,-0.2 2,-0.3 100,-0.1 99,-0.2 -0.321 34.9-174.3 -72.1 152.0 34.1 -14.9 -31.4 4 4 A F E -A 20 0A 1 16,-1.6 16,-2.9 97,-0.1 2,-0.1 -0.996 22.1-115.6-148.1 147.1 30.5 -14.0 -30.7 5 5 A Y E -A 19 0A 0 -2,-0.3 14,-0.3 14,-0.2 3,-0.1 -0.321 16.4-171.8 -75.9 160.3 28.6 -12.1 -28.0 6 6 A L E S- 0 0 1 12,-3.3 341,-0.4 1,-0.5 2,-0.3 0.685 70.9 -8.6-112.1 -58.3 26.1 -13.7 -25.6 7 7 A T E -A 18 0A 3 11,-1.4 11,-2.1 339,-0.1 -1,-0.5 -0.965 58.6-165.0-138.9 155.3 24.6 -10.7 -23.8 8 8 A V E +A 17 0A 0 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.995 10.5 172.3-140.8 144.3 25.3 -7.0 -23.6 9 9 A E E -A 16 0A 12 7,-1.7 7,-2.3 -2,-0.3 2,-0.5 -0.978 26.0-133.5-143.6 157.5 24.2 -4.3 -21.2 10 10 A Q E +A 15 0A 65 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.974 24.1 172.6-112.3 124.8 24.9 -0.6 -20.4 11 11 A I E > -A 14 0A 39 3,-2.8 3,-1.6 -2,-0.5 2,-0.3 -0.887 64.5 -54.9-131.7 101.7 25.4 0.3 -16.8 12 12 A G T 3 S- 0 0 55 -2,-0.4 53,-0.0 1,-0.2 52,-0.0 -0.520 120.7 -17.9 65.8-128.5 26.5 3.9 -16.3 13 13 A D T 3 S+ 0 0 63 -2,-0.3 2,-0.4 52,-0.1 -1,-0.2 0.267 122.4 92.1 -91.7 11.3 29.6 4.5 -18.4 14 14 A S E < -A 11 0A 15 -3,-1.6 -3,-2.8 18,-0.2 2,-0.6 -0.864 61.8-150.3-112.8 140.0 30.3 0.8 -18.7 15 15 A I E -AB 10 31A 0 16,-3.0 16,-3.2 -2,-0.4 2,-0.6 -0.942 16.9-157.3 -99.3 121.0 29.3 -1.8 -21.3 16 16 A F E -AB 9 30A 36 -7,-2.3 -7,-1.7 -2,-0.6 2,-0.4 -0.898 16.8-179.0-100.4 117.9 29.0 -5.2 -19.6 17 17 A E E -AB 8 29A 0 12,-2.7 12,-2.4 -2,-0.6 2,-0.4 -0.965 21.7-163.5-124.7 130.5 29.4 -8.1 -22.1 18 18 A R E +AB 7 28A 2 -11,-2.1 -12,-3.3 -2,-0.4 -11,-1.4 -0.904 33.1 157.5 -99.1 137.3 29.2 -11.8 -21.8 19 19 A Y E -AB 5 27A 27 8,-2.7 8,-3.3 -2,-0.4 2,-0.5 -0.973 45.2-112.1-154.6 165.3 30.8 -13.6 -24.8 20 20 A I E -AB 4 26A 2 -16,-2.9 -16,-1.6 -2,-0.3 6,-0.2 -0.929 40.1-144.0-103.4 124.6 32.4 -16.7 -26.2 21 21 A D > - 0 0 12 4,-2.5 3,-2.2 -2,-0.5 -17,-0.0 -0.069 33.3 -84.1 -83.2-175.1 36.1 -16.2 -27.1 22 22 A S T 3 S+ 0 0 55 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.631 129.6 51.1 -66.2 -14.5 38.2 -17.6 -29.9 23 23 A N T 3 S- 0 0 143 2,-0.2 -1,-0.3 0, 0.0 -21,-0.1 0.235 121.3-105.6-106.0 11.3 38.8 -20.8 -27.9 24 24 A G S < S+ 0 0 9 -3,-2.2 2,-0.4 1,-0.2 -2,-0.1 0.635 75.0 136.6 80.2 16.0 35.1 -21.3 -27.3 25 25 A R - 0 0 156 1,-0.0 -4,-2.5 0, 0.0 2,-0.3 -0.794 56.1-119.5-101.7 136.9 35.1 -20.3 -23.6 26 26 A E E +B 20 0A 62 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.565 41.8 169.1 -72.8 128.9 32.5 -18.1 -22.0 27 27 A R E -B 19 0A 100 -8,-3.3 -8,-2.7 -2,-0.3 2,-0.4 -0.892 24.9-143.8-135.5 166.2 33.9 -14.9 -20.6 28 28 A T E +B 18 0A 79 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.996 18.0 179.3-132.5 137.4 32.7 -11.6 -19.2 29 29 A R E -B 17 0A 72 -12,-2.4 -12,-2.7 -2,-0.4 2,-0.5 -0.997 22.5-143.0-139.1 144.2 34.2 -8.1 -19.6 30 30 A E E -B 16 0A 121 -2,-0.3 2,-0.5 -14,-0.2 -14,-0.2 -0.932 24.5-166.8-103.0 124.5 33.4 -4.6 -18.5 31 31 A V E -B 15 0A 44 -16,-3.2 -16,-3.0 -2,-0.5 2,-2.2 -0.952 24.7-143.9-121.2 122.0 34.3 -2.0 -21.2 32 32 A E - 0 0 81 -2,-0.5 -18,-0.2 -18,-0.2 -19,-0.0 -0.537 38.9-155.1 -77.4 76.8 34.4 1.7 -20.7 33 33 A Y - 0 0 21 -2,-2.2 32,-0.3 -20,-0.2 59,-0.0 -0.276 13.9-151.3 -65.8 135.5 33.0 2.2 -24.1 34 34 A K - 0 0 99 30,-0.1 29,-0.1 31,-0.1 -1,-0.1 -0.881 20.7-161.5-108.1 100.0 33.7 5.5 -26.0 35 35 A P - 0 0 2 0, 0.0 27,-2.0 0, 0.0 2,-0.4 -0.347 5.7-142.2 -81.4 160.1 30.8 6.1 -28.4 36 36 A S E +C 61 0B 33 25,-0.2 2,-0.3 49,-0.1 49,-0.2 -0.966 17.7 177.6-120.2 139.9 30.8 8.4 -31.4 37 37 A L E -C 60 0B 2 23,-1.7 23,-3.0 -2,-0.4 2,-0.3 -0.829 19.2-130.3-128.6 175.5 27.9 10.7 -32.6 38 38 A F E -CD 59 83B 27 45,-3.0 45,-2.5 -2,-0.3 2,-0.3 -0.913 14.1-167.8-134.1 151.1 27.8 13.1 -35.5 39 39 A A E -C 58 0B 16 19,-1.6 19,-2.6 -2,-0.3 43,-0.1 -0.986 37.7 -99.2-133.2 146.5 26.8 16.6 -36.4 40 40 A H E -C 57 0B 83 41,-0.4 17,-0.3 -2,-0.3 10,-0.0 -0.350 45.0-170.3 -59.3 142.7 26.4 18.3 -39.7 41 41 A C - 0 0 19 15,-1.8 4,-0.1 4,-0.1 -1,-0.0 -0.881 31.2 -74.8-134.1 163.7 29.4 20.3 -40.8 42 42 A P > - 0 0 86 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.210 40.0-119.5 -59.7 153.6 30.3 22.8 -43.6 43 43 A E T 3 S+ 0 0 94 1,-0.3 14,-0.1 3,-0.0 -2,-0.0 0.715 111.4 66.6 -65.4 -21.4 30.8 21.4 -47.1 44 44 A S T 3 S+ 0 0 103 2,-0.1 2,-0.6 1,-0.0 -1,-0.3 0.252 81.2 100.2 -84.3 13.2 34.3 22.8 -47.0 45 45 A Q S < S- 0 0 90 -3,-1.5 2,-0.2 -4,-0.1 -4,-0.1 -0.895 75.8-127.9-108.4 115.6 35.3 20.3 -44.3 46 46 A A + 0 0 106 -2,-0.6 2,-0.3 2,-0.1 -2,-0.1 -0.390 47.9 144.8 -61.0 123.3 37.2 17.2 -45.2 47 47 A T - 0 0 40 -2,-0.2 11,-0.1 11,-0.1 -2,-0.0 -0.984 51.3-145.7-155.5 158.9 35.4 14.1 -43.8 48 48 A K S S+ 0 0 80 -2,-0.3 2,-0.5 9,-0.1 10,-0.1 0.391 79.3 90.3-103.8 -1.5 34.6 10.5 -44.7 49 49 A Y + 0 0 55 8,-0.5 8,-2.4 321,-0.1 2,-0.3 -0.839 47.6 165.3-104.2 130.3 31.2 10.7 -42.9 50 50 A F E -Ef 56 370C 85 319,-1.1 321,-2.5 -2,-0.5 2,-0.0 -0.975 33.4-119.2-135.5 148.5 28.0 11.6 -44.7 51 51 A D E > - f 0 371C 12 4,-2.8 3,-1.8 -2,-0.3 321,-0.2 -0.252 46.6 -90.4 -74.8 178.0 24.4 11.3 -43.8 52 52 A I T 3 S+ 0 0 14 319,-0.8 -1,-0.1 1,-0.3 320,-0.1 0.701 129.0 54.3 -67.3 -18.0 22.1 9.2 -46.0 53 53 A Y T 3 S- 0 0 137 2,-0.1 -1,-0.3 368,-0.0 -2,-0.0 0.429 122.5-104.7 -94.5 -0.9 21.2 12.3 -48.0 54 54 A G S < S+ 0 0 47 -3,-1.8 -2,-0.1 1,-0.3 -5,-0.0 0.519 71.9 141.7 94.2 6.3 24.9 13.0 -48.7 55 55 A K - 0 0 55 1,-0.1 -4,-2.8 -15,-0.0 -1,-0.3 -0.667 54.8-111.7 -80.9 134.5 25.4 15.9 -46.3 56 56 A P B -E 50 0C 23 0, 0.0 -15,-1.8 0, 0.0 2,-0.3 -0.331 34.6-170.2 -68.6 146.7 28.9 15.9 -44.6 57 57 A C E -C 40 0B 0 -8,-2.4 -8,-0.5 -17,-0.3 2,-0.4 -0.933 16.5-135.0-130.4 154.8 29.1 15.2 -40.9 58 58 A T E -C 39 0B 39 -19,-2.6 -19,-1.6 -2,-0.3 2,-0.4 -0.915 24.2-124.5-107.5 142.9 32.0 15.4 -38.3 59 59 A R E -C 38 0B 109 -2,-0.4 2,-0.6 -21,-0.2 -21,-0.2 -0.701 18.4-159.3 -86.7 131.4 32.5 12.7 -35.8 60 60 A K E -C 37 0B 82 -23,-3.0 -23,-1.7 -2,-0.4 2,-0.4 -0.953 5.8-154.0-109.9 118.3 32.6 13.6 -32.1 61 61 A L E -C 36 0B 104 -2,-0.6 2,-0.4 -25,-0.2 -25,-0.2 -0.742 11.7-151.2 -87.6 137.0 34.3 11.1 -29.8 62 62 A F - 0 0 16 -27,-2.0 3,-0.1 -2,-0.4 6,-0.0 -0.876 18.9-135.0-112.0 143.9 33.1 11.1 -26.2 63 63 A A S S- 0 0 70 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.806 90.1 -4.4 -62.8 -29.6 35.1 10.2 -23.1 64 64 A N S > S- 0 0 30 -29,-0.1 4,-1.3 -30,-0.1 3,-0.2 -0.968 76.2 -99.2-157.8 168.8 32.1 8.2 -21.9 65 65 A M H > S+ 0 0 0 -32,-0.3 4,-2.1 -2,-0.3 5,-0.2 0.804 118.2 58.7 -66.8 -29.1 28.5 7.3 -22.7 66 66 A R H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.921 103.8 50.9 -64.1 -44.7 27.2 9.9 -20.2 67 67 A D H > S+ 0 0 70 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.838 109.9 51.8 -62.1 -33.5 29.0 12.8 -22.1 68 68 A A H X S+ 0 0 0 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.926 111.4 44.8 -68.3 -46.0 27.4 11.5 -25.3 69 69 A S H X S+ 0 0 56 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.832 111.8 53.1 -69.0 -32.6 23.9 11.5 -23.9 70 70 A Q H X S+ 0 0 50 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.839 107.2 52.9 -69.0 -33.1 24.4 14.9 -22.3 71 71 A W H X S+ 0 0 22 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.877 104.2 55.8 -68.1 -38.9 25.5 16.2 -25.7 72 72 A I H X S+ 0 0 34 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.925 108.7 47.6 -57.5 -46.4 22.3 14.9 -27.3 73 73 A K H X S+ 0 0 43 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.893 111.4 50.3 -62.5 -42.1 20.3 17.0 -24.8 74 74 A R H X S+ 0 0 135 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.893 108.2 52.4 -65.1 -39.0 22.4 20.1 -25.4 75 75 A M H X>S+ 0 0 14 -4,-2.5 5,-2.5 1,-0.2 4,-2.1 0.846 107.8 52.9 -64.4 -34.2 21.9 19.7 -29.2 76 76 A E H <5S+ 0 0 139 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.883 107.3 51.1 -65.1 -40.1 18.2 19.5 -28.6 77 77 A D H <5S+ 0 0 135 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.753 113.1 45.9 -69.6 -25.5 18.4 22.8 -26.6 78 78 A I H <5S- 0 0 119 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.813 113.4-119.1 -84.0 -34.3 20.2 24.4 -29.4 79 79 A G T <5 + 0 0 62 -4,-2.1 2,-0.3 1,-0.3 -3,-0.2 0.745 68.0 126.2 98.5 31.0 17.8 23.1 -32.1 80 80 A L < - 0 0 105 -5,-2.5 -1,-0.3 -41,-0.0 -2,-0.2 -0.931 63.7-101.8-123.3 147.5 20.3 21.0 -34.1 81 81 A E - 0 0 63 -2,-0.3 2,-0.7 1,-0.1 -41,-0.4 -0.400 23.1-153.1 -67.7 132.8 20.2 17.3 -35.2 82 82 A A - 0 0 6 -2,-0.1 -43,-0.2 -43,-0.1 2,-0.1 -0.921 23.6-158.9-105.9 105.9 22.4 14.9 -33.3 83 83 A L B +D 38 0B 1 -45,-2.5 -45,-3.0 -2,-0.7 2,-0.1 -0.465 38.0 52.0 -91.5 156.4 23.2 12.1 -35.7 84 84 A G S S- 0 0 5 288,-1.9 2,-0.6 -47,-0.2 -47,-0.1 -0.442 92.8 -36.2 115.3 173.4 24.3 8.5 -35.1 85 85 A M - 0 0 8 -49,-0.2 -49,-0.1 1,-0.2 6,-0.1 -0.583 45.7-175.4 -73.4 115.1 23.3 5.4 -33.1 86 86 A D + 0 0 85 -2,-0.6 2,-1.1 1,-0.1 -1,-0.2 0.607 68.2 82.6 -90.9 -14.2 22.0 6.6 -29.8 87 87 A D >> - 0 0 25 1,-0.2 4,-1.5 2,-0.0 3,-0.7 -0.803 69.6-166.4 -86.2 98.2 21.5 3.1 -28.4 88 88 A F H 3> S+ 0 0 9 -2,-1.1 4,-2.9 1,-0.3 -1,-0.2 0.770 79.6 58.8 -65.4 -28.9 25.2 2.7 -27.4 89 89 A K H 3> S+ 0 0 36 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.860 105.1 50.9 -71.1 -30.8 25.1 -1.1 -26.9 90 90 A L H <> S+ 0 0 3 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.885 112.1 48.0 -65.8 -38.5 24.0 -1.5 -30.5 91 91 A A H X S+ 0 0 11 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.917 111.1 50.8 -65.8 -44.0 27.0 0.7 -31.4 92 92 A Y H X S+ 0 0 8 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.936 110.7 47.7 -57.5 -50.1 29.2 -1.4 -29.2 93 93 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.904 111.2 52.0 -58.6 -41.9 28.1 -4.7 -30.8 94 94 A S H < S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 113.9 42.8 -64.4 -36.3 28.6 -3.2 -34.2 95 95 A D H < S+ 0 0 81 -4,-2.0 3,-0.5 1,-0.1 -2,-0.2 0.875 118.2 44.6 -74.7 -40.6 32.1 -2.1 -33.4 96 96 A T H < S+ 0 0 41 -4,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.845 120.2 39.4 -76.5 -35.0 33.1 -5.3 -31.6 97 97 A Y < + 0 0 2 -4,-2.8 2,-1.4 -5,-0.3 -1,-0.3 -0.573 66.3 163.7-117.8 69.0 31.6 -7.7 -34.2 98 98 A N + 0 0 106 -3,-0.5 2,-0.3 -2,-0.4 -4,-0.1 -0.228 58.1 58.1 -83.4 47.1 32.4 -6.1 -37.5 99 99 A Y S S- 0 0 51 -2,-1.4 2,-0.6 -5,-0.0 -2,-0.0 -0.950 103.6 -67.4-158.6 171.6 31.7 -9.3 -39.5 100 100 A E - 0 0 164 -2,-0.3 2,-0.4 1,-0.1 242,-0.1 -0.606 59.4-124.4 -70.3 115.5 28.9 -11.7 -40.2 101 101 A I - 0 0 16 -2,-0.6 2,-0.6 240,-0.4 -97,-0.1 -0.468 25.7-170.6 -69.3 118.8 28.4 -13.5 -36.9 102 102 A K - 0 0 85 -2,-0.4 2,-0.3 -99,-0.2 -100,-0.1 -0.960 17.7-169.8-104.7 119.9 28.7 -17.3 -37.0 103 103 A Y - 0 0 53 -2,-0.6 2,-0.6 -102,-0.0 -100,-0.1 -0.785 24.6-138.0-115.8 156.4 27.6 -18.7 -33.7 104 104 A D > - 0 0 47 -2,-0.3 3,-1.8 1,-0.1 4,-0.4 -0.926 10.9-164.9-112.6 105.9 27.8 -22.1 -32.0 105 105 A H G > S+ 0 0 119 -2,-0.6 3,-1.5 1,-0.3 -1,-0.1 0.792 85.6 67.0 -63.2 -28.3 24.5 -22.7 -30.2 106 106 A T G 3 S+ 0 0 83 1,-0.3 -1,-0.3 3,-0.1 -2,-0.0 0.710 99.1 53.6 -65.5 -17.8 26.0 -25.6 -28.2 107 107 A K G < S+ 0 0 76 -3,-1.8 2,-0.5 2,-0.1 -1,-0.3 0.550 91.2 90.7 -90.3 -10.8 28.2 -23.0 -26.4 108 108 A I S < S- 0 0 0 -3,-1.5 2,-1.0 -4,-0.4 33,-0.0 -0.775 77.9-132.3 -93.4 123.5 25.1 -20.9 -25.4 109 109 A R - 0 0 37 -2,-0.5 102,-2.8 100,-0.2 103,-1.9 -0.622 26.2-175.6 -80.5 103.4 23.6 -21.7 -22.1 110 110 A V E -g 212 0D 19 -2,-1.0 31,-2.2 101,-0.2 2,-0.5 -0.890 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59.1-128.2 -53.0 139.5 -27.0 -24.4 -19.7 859 867 A D > + 0 0 28 -33,-2.4 4,-2.4 1,-0.2 5,-0.1 -0.768 33.0 172.7 -97.6 92.7 -29.2 -23.1 -22.5 860 868 A Y H > S+ 0 0 59 -2,-1.1 4,-2.6 2,-0.2 5,-0.2 0.818 77.4 56.7 -67.7 -32.8 -28.7 -25.7 -25.3 861 869 A T H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 111.9 40.6 -65.4 -48.0 -31.4 -24.0 -27.4 862 870 A V H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.921 114.1 55.1 -64.1 -44.0 -29.7 -20.6 -27.4 863 871 A L H X>S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 5,-0.5 0.919 112.3 42.8 -54.8 -48.7 -26.3 -22.4 -27.8 864 872 A L H X>S+ 0 0 7 -4,-2.6 5,-2.2 1,-0.2 4,-2.0 0.977 118.1 40.9 -63.1 -59.5 -27.5 -24.2 -31.0 865 873 A E H <>S+ 0 0 105 -4,-2.2 5,-1.3 3,-0.2 -1,-0.2 0.756 121.7 41.6 -66.6 -24.9 -29.4 -21.4 -32.7 866 874 A K H <5S+ 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 126.1 26.2 -92.7 -42.0 -26.8 -18.7 -31.9 867 875 A T H <5S+ 0 0 20 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.740 136.5 21.1 -93.6 -25.0 -23.4 -20.4 -32.5 868 876 A F T X S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.903 114.5 52.6 -65.0 -36.5 -23.6 -19.2 -39.1 872 880 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.896 105.9 53.3 -64.0 -40.6 -24.9 -22.2 -41.1 873 881 A E H X S+ 0 0 89 -4,-3.0 4,-2.1 1,-0.2 5,-0.3 0.868 108.9 51.9 -58.6 -36.5 -27.8 -20.1 -42.4 874 882 A G H X S+ 0 0 28 -4,-1.5 4,-1.3 -5,-0.2 -2,-0.2 0.912 110.9 45.3 -67.2 -44.8 -25.2 -17.7 -43.6 875 883 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.939 117.5 43.2 -61.5 -49.4 -23.1 -20.3 -45.4 876 884 A T H <>S+ 0 0 1 -4,-2.6 5,-2.5 2,-0.2 4,-0.5 0.864 110.6 50.7 -75.1 -39.9 -26.1 -22.0 -47.1 877 885 A S H ><5S+ 0 0 64 -4,-2.1 3,-0.5 -5,-0.2 -1,-0.2 0.875 112.6 50.7 -64.7 -35.3 -28.1 -18.9 -48.2 878 886 A A H 3<5S+ 0 0 9 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.922 112.1 45.4 -63.5 -44.9 -24.8 -17.7 -49.8 879 887 A A T 3<5S- 0 0 0 -4,-2.0 -1,-0.2 -485,-0.2 -2,-0.2 0.448 116.6-117.8 -80.3 0.0 -24.3 -21.0 -51.5 880 888 A K T < 5S+ 0 0 137 -3,-0.5 2,-0.3 -4,-0.5 -3,-0.2 0.933 75.2 103.3 63.2 51.2 -28.0 -21.0 -52.6 881 889 A L < - 0 0 9 -5,-2.5 2,-0.4 -6,-0.0 -1,-0.2 -0.954 64.7-112.9-151.0 172.0 -29.1 -24.1 -50.8 882 890 A D - 0 0 83 -2,-0.3 -129,-0.2 1,-0.1 -130,-0.1 -0.876 3.1-159.5-113.9 141.3 -31.0 -25.3 -47.7 883 891 A Y S S+ 0 0 32 -2,-0.4 2,-0.4 1,-0.2 -126,-0.1 0.466 89.5 47.1 -88.8 -4.0 -29.7 -27.1 -44.7 884 892 A E S S- 0 0 103 -128,-0.1 -1,-0.2 -127,-0.0 2,-0.1 -0.998 96.3-105.8-142.5 131.4 -33.3 -28.2 -44.1 885 893 A K - 0 0 78 -2,-0.4 2,-0.1 -132,-0.1 -2,-0.0 -0.366 41.5-134.9 -60.6 126.3 -35.8 -29.7 -46.5 886 894 A K - 0 0 73 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.318 20.7 -95.6 -82.7 164.8 -38.4 -27.1 -47.4 887 895 A A + 0 0 91 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.600 48.9 167.9 -82.6 139.5 -42.2 -27.5 -47.5 888 896 A S > - 0 0 60 -2,-0.3 3,-1.6 1,-0.0 4,-0.1 -0.854 53.1 -95.6-140.8 175.3 -43.8 -28.3 -50.9 889 897 A L G > S+ 0 0 77 1,-0.3 3,-1.3 -2,-0.3 -2,-0.0 0.669 114.9 75.6 -67.6 -15.5 -47.1 -29.4 -52.5 890 898 A F G > S+ 0 0 160 1,-0.3 3,-1.3 2,-0.1 -1,-0.3 0.608 73.5 80.6 -71.8 -11.9 -45.6 -32.9 -52.4 891 899 A D G < S+ 0 0 105 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.623 75.9 73.4 -69.9 -12.8 -46.2 -33.1 -48.7 892 900 A M G < S+ 0 0 167 -3,-1.3 2,-0.3 -4,-0.1 -1,-0.3 0.317 88.3 78.5 -85.5 9.4 -49.9 -34.0 -49.4 893 901 A F < 0 0 157 -3,-1.3 -3,-0.0 1,-0.2 0, 0.0 -0.789 360.0 360.0-114.6 160.6 -48.8 -37.4 -50.5 894 902 A D 0 0 156 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.0 0.564 360.0 360.0 -95.4 360.0 -47.8 -40.5 -48.5