==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 21-SEP-05 2B3V . COMPND 2 MOLECULE: DIAMINE ACETYLTRANSFERASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.C.BEWLEY,V.GRAZIANO,J.S.JIANG,E.MATZ,F.W.STUDIER,A.P.PEGG, . 167 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12145.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 0 0 0 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 1 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 F 0 0 104 0, 0.0 2,-0.4 0, 0.0 55,-0.2 0.000 360.0 360.0 360.0 164.8 28.1 60.6 61.1 2 5 A V E -A 55 0A 78 53,-2.8 53,-3.5 2,-0.0 2,-0.6 -0.984 360.0-158.4-126.7 132.9 25.3 59.4 63.4 3 6 A I E +A 54 0A 24 -2,-0.4 51,-0.2 51,-0.2 68,-0.0 -0.958 31.8 154.6-108.3 120.9 21.9 58.1 62.4 4 7 A R E -A 53 0A 52 49,-2.4 49,-2.7 -2,-0.6 2,-0.1 -0.943 49.6 -88.2-144.8 162.3 19.4 58.4 65.2 5 8 A P E -A 52 0A 92 0, 0.0 47,-0.3 0, 0.0 45,-0.0 -0.463 55.4-108.1 -67.5 147.9 15.7 58.7 65.9 6 9 A A - 0 0 16 45,-2.7 2,-0.3 -2,-0.1 45,-0.1 -0.276 30.5-148.9 -71.6 165.1 14.6 62.3 65.8 7 10 A T > - 0 0 63 -3,-0.1 3,-2.0 1,-0.0 4,-0.3 -0.839 35.6 -97.0-127.4 166.4 13.6 64.2 69.0 8 11 A A G > S+ 0 0 46 -2,-0.3 3,-1.3 1,-0.3 4,-0.2 0.835 123.4 64.5 -54.7 -28.9 11.2 67.0 69.5 9 12 A A G > S+ 0 0 81 1,-0.3 3,-0.5 2,-0.1 4,-0.3 0.753 93.6 59.7 -67.7 -23.2 14.2 69.3 69.3 10 13 A D G <> S+ 0 0 10 -3,-2.0 4,-2.5 1,-0.2 3,-0.3 0.488 72.1 100.4 -83.7 -4.2 14.9 68.3 65.7 11 14 A C H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.3 5,-0.2 0.866 80.6 54.5 -50.0 -40.6 11.5 69.5 64.3 12 15 A S H <> S+ 0 0 59 -3,-0.5 4,-2.3 -4,-0.2 -1,-0.3 0.951 111.2 45.5 -57.6 -49.2 13.2 72.7 63.1 13 16 A D H > S+ 0 0 25 -4,-0.3 4,-2.6 -3,-0.3 -2,-0.2 0.875 110.2 53.8 -63.4 -36.6 15.6 70.6 61.2 14 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.944 109.6 47.2 -66.0 -44.6 13.0 68.3 59.8 15 18 A L H X S+ 0 0 25 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.924 112.1 50.9 -62.7 -41.2 11.0 71.1 58.4 16 19 A R H X S+ 0 0 36 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.937 113.1 44.8 -61.2 -43.8 14.1 72.6 56.9 17 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.843 110.0 55.3 -69.2 -33.7 15.0 69.3 55.3 18 21 A I H X S+ 0 0 16 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.886 109.0 48.8 -65.4 -37.3 11.4 68.8 54.1 19 22 A K H X S+ 0 0 75 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.844 107.6 53.5 -72.9 -30.4 11.7 72.1 52.4 20 23 A E H X S+ 0 0 48 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.919 109.2 49.6 -68.4 -43.1 15.0 71.3 50.7 21 24 A L H X S+ 0 0 11 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.923 111.0 49.4 -59.2 -44.6 13.5 68.1 49.3 22 25 A A H <>S+ 0 0 8 -4,-1.9 5,-3.7 1,-0.2 6,-0.4 0.885 112.3 47.6 -62.1 -40.0 10.5 70.2 48.0 23 26 A R H ><5S+ 0 0 174 -4,-2.0 3,-1.5 4,-0.3 -1,-0.2 0.878 107.5 55.7 -69.3 -37.9 12.9 72.7 46.4 24 27 A Y H 3<5S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.841 114.0 42.0 -62.0 -31.1 14.9 69.8 44.9 25 28 A E T 3<5S- 0 0 99 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.326 117.3-117.5 -96.7 6.7 11.6 68.7 43.4 26 29 A Y T < 5S+ 0 0 207 -3,-1.5 -3,-0.3 -5,-0.1 -2,-0.1 0.821 90.8 99.2 61.0 35.7 10.6 72.3 42.5 27 30 A X > < + 0 0 106 -5,-3.7 3,-2.5 -8,-0.1 4,-0.4 0.016 30.2 135.1-138.2 29.3 7.5 72.3 44.7 28 31 A E G > + 0 0 72 -6,-0.4 3,-1.5 1,-0.3 -5,-0.2 0.782 68.8 63.3 -52.0 -33.8 8.7 74.1 47.9 29 32 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 -7,-0.1 -2,-0.0 0.683 89.5 72.2 -67.1 -15.0 5.5 76.3 48.1 30 33 A Q G < S+ 0 0 121 -3,-2.5 2,-0.8 -11,-0.1 -1,-0.3 0.737 74.1 93.2 -70.4 -25.3 3.6 73.0 48.5 31 34 A V < + 0 0 28 -3,-1.5 -1,-0.0 -4,-0.4 -12,-0.0 -0.619 37.5 152.8 -75.7 108.9 5.0 72.6 52.1 32 35 A I + 0 0 142 -2,-0.8 -1,-0.2 2,-0.1 2,-0.1 0.394 34.3 115.0-114.8 -1.0 2.4 74.2 54.4 33 36 A L - 0 0 68 -3,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.406 56.7-145.1 -66.2 146.4 3.2 72.1 57.4 34 37 A T > - 0 0 63 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.655 24.6-109.8-109.9 170.4 4.6 74.1 60.2 35 38 A E H > S+ 0 0 102 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.887 124.1 53.5 -63.4 -39.2 7.3 73.4 62.9 36 39 A K H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.854 104.9 55.5 -62.7 -36.7 4.4 73.4 65.4 37 40 A D H > S+ 0 0 50 2,-0.2 4,-3.4 1,-0.2 5,-0.3 0.956 109.3 45.4 -60.2 -52.2 2.7 70.8 63.1 38 41 A L H X S+ 0 0 1 -4,-2.1 4,-2.8 1,-0.2 5,-0.5 0.896 110.9 52.4 -60.0 -44.0 5.6 68.4 63.2 39 42 A L H X S+ 0 0 79 -4,-2.4 4,-2.0 3,-0.2 5,-0.2 0.928 117.1 39.9 -58.6 -44.3 6.1 68.7 66.9 40 43 A E H X S+ 0 0 94 -4,-2.1 4,-0.8 -5,-0.2 6,-0.3 0.920 121.2 40.5 -72.1 -45.8 2.5 67.9 67.5 41 44 A D H < S+ 0 0 54 -4,-3.4 7,-3.1 -5,-0.2 8,-0.6 0.759 126.6 34.9 -74.9 -25.8 2.1 65.2 64.8 42 45 A G H < S+ 0 0 8 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.753 129.0 23.4-103.3 -27.5 5.5 63.6 65.6 43 46 A F H < S+ 0 0 62 -4,-2.0 -3,-0.2 -5,-0.5 -2,-0.1 0.354 90.6 109.3-123.4 7.6 6.2 63.9 69.3 44 47 A G S < S- 0 0 31 -4,-0.8 -4,-0.0 -5,-0.2 -3,-0.0 -0.024 97.6 -80.7 -66.0-175.2 2.7 64.3 70.8 45 48 A E S S+ 0 0 196 1,-0.2 -1,-0.1 2,-0.0 -4,-0.1 0.671 126.2 39.9 -67.4 -14.5 1.5 61.3 72.7 46 49 A H S S- 0 0 120 -6,-0.3 2,-0.3 0, 0.0 -1,-0.2 -0.873 82.2-147.5-137.4 103.7 0.6 59.6 69.4 47 50 A P - 0 0 53 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.500 13.3-168.4 -76.6 135.3 2.9 60.0 66.4 48 51 A F S S+ 0 0 138 -7,-3.1 2,-0.3 -2,-0.3 -6,-0.2 0.397 81.1 17.6 -95.1 -0.8 1.5 60.1 62.8 49 52 A Y - 0 0 16 -8,-0.6 2,-0.3 -11,-0.1 26,-0.2 -0.975 67.7-142.4-161.3 159.7 5.1 59.7 61.5 50 53 A H E - B 0 74A 65 24,-2.9 24,-2.7 -2,-0.3 2,-0.4 -0.940 19.1-159.8-126.1 151.8 8.5 58.6 62.7 51 54 A C E - B 0 73A 11 -2,-0.3 -45,-2.7 22,-0.2 2,-0.4 -0.992 13.5-163.8-141.1 140.3 11.7 60.1 61.6 52 55 A L E -AB 5 72A 5 20,-2.3 20,-2.1 -2,-0.4 2,-0.3 -0.924 18.4-163.6-114.0 144.0 15.4 59.2 61.5 53 56 A V E -AB 4 71A 0 -49,-2.7 -49,-2.4 -2,-0.4 2,-0.6 -0.952 17.5-133.5-132.1 151.7 18.0 61.9 61.1 54 57 A A E -AB 3 70A 0 16,-2.2 15,-2.6 -2,-0.3 16,-0.8 -0.930 26.1-167.1-105.5 115.5 21.7 61.9 60.1 55 58 A E E -AB 2 68A 69 -53,-3.5 -53,-2.8 -2,-0.6 13,-0.2 -0.878 1.9-161.0-109.5 134.7 23.8 64.1 62.4 56 59 A V - 0 0 11 11,-2.7 5,-0.1 -2,-0.4 -2,-0.0 -0.765 35.3 -83.5-110.3 158.9 27.3 65.2 61.7 57 60 A P > - 0 0 76 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.239 41.6-113.1 -57.9 146.1 30.0 66.5 64.1 58 61 A K G > S+ 0 0 151 1,-0.3 3,-1.5 2,-0.2 7,-0.0 0.785 115.8 67.8 -53.5 -28.3 29.8 70.2 64.8 59 62 A E G 3 S+ 0 0 171 1,-0.3 -1,-0.3 8,-0.0 8,-0.0 0.799 106.2 40.7 -60.9 -30.9 33.1 70.6 63.0 60 63 A H G < S+ 0 0 119 -3,-2.2 -1,-0.3 7,-0.0 -2,-0.2 0.063 84.6 145.0-110.0 28.3 31.3 69.7 59.8 61 64 A W < - 0 0 98 -3,-1.5 6,-0.2 1,-0.1 -3,-0.0 -0.090 58.6 -91.6 -58.4 162.3 28.1 71.6 60.3 62 65 A T > - 0 0 7 4,-2.5 3,-2.8 1,-0.1 -1,-0.1 -0.258 43.1 -99.0 -70.5 164.2 26.3 73.1 57.3 63 66 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.844 128.3 57.9 -54.4 -31.9 27.2 76.7 56.4 64 67 A E T 3 S- 0 0 139 2,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.344 125.1-105.0 -78.7 2.7 24.0 77.6 58.2 65 68 A G S < S+ 0 0 31 -3,-2.8 2,-0.4 1,-0.2 -4,-0.1 0.817 70.8 146.4 78.0 32.1 25.3 75.9 61.4 66 69 A H - 0 0 39 1,-0.1 -4,-2.5 -4,-0.1 -1,-0.2 -0.885 36.9-168.6-109.2 132.2 23.1 72.8 61.2 67 70 A S S S+ 0 0 19 -2,-0.4 -11,-2.7 -6,-0.2 2,-0.6 0.609 70.4 84.9 -88.4 -17.6 24.3 69.4 62.3 68 71 A I E +B 55 0A 0 -13,-0.2 -13,-0.2 1,-0.1 3,-0.1 -0.806 44.1 160.0 -91.9 119.2 21.3 67.6 60.7 69 72 A V E + 0 0 0 -15,-2.6 25,-2.8 -2,-0.6 2,-0.3 0.360 59.3 20.6-120.9 2.0 22.0 66.8 57.1 70 73 A G E -BC 54 93A 0 -16,-0.8 -16,-2.2 23,-0.2 2,-0.3 -0.992 55.7-179.4-163.7 160.8 19.6 64.0 56.2 71 74 A F E -BC 53 92A 0 21,-2.3 21,-2.2 -2,-0.3 2,-0.4 -0.992 17.4-149.1-160.3 165.3 16.4 62.3 57.3 72 75 A A E -BC 52 91A 0 -20,-2.1 -20,-2.3 -2,-0.3 2,-0.5 -0.987 14.6-161.2-139.8 128.7 13.9 59.6 56.5 73 76 A X E +BC 51 90A 21 17,-2.7 16,-2.1 -2,-0.4 17,-1.6 -0.967 24.8 152.8-115.9 126.5 10.2 60.0 57.3 74 77 A Y E -BC 50 88A 16 -24,-2.7 -24,-2.9 -2,-0.5 2,-0.3 -0.884 22.6-171.5-145.9 171.0 8.1 56.9 57.6 75 78 A Y E - C 0 87A 75 12,-1.7 12,-3.1 -2,-0.3 2,-0.3 -0.956 33.8 -98.6-156.4 166.9 5.0 55.3 59.1 76 79 A F E - C 0 86A 79 -2,-0.3 2,-0.2 10,-0.2 10,-0.2 -0.732 37.3-177.2 -95.7 145.3 3.5 51.9 59.3 77 80 A T E - C 0 85A 48 8,-2.2 8,-2.1 -2,-0.3 2,-0.4 -0.750 16.1-128.6-129.1 179.4 0.7 50.8 57.0 78 81 A Y E - C 0 84A 172 -2,-0.2 6,-0.2 6,-0.2 8,-0.0 -0.996 7.9-160.9-140.4 139.7 -1.4 47.7 56.6 79 82 A D E > - C 0 83A 42 4,-1.9 4,-3.4 -2,-0.4 3,-0.4 -0.979 20.2-141.6-118.7 117.3 -2.3 45.4 53.8 80 83 A P T 4 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.612 100.4 46.9 -53.9 -13.8 -5.4 43.2 54.5 81 84 A W T 4 S+ 0 0 227 2,-0.2 -3,-0.0 0, 0.0 0, 0.0 0.823 130.0 12.7 -98.1 -37.5 -3.7 40.3 52.7 82 85 A I T 4 S- 0 0 97 -3,-0.4 2,-0.3 1,-0.3 38,-0.1 0.470 95.0-140.1-118.7 -9.4 -0.1 40.3 54.2 83 86 A G E < +C 79 0A 11 -4,-3.4 -4,-1.9 36,-0.1 -1,-0.3 -0.621 57.6 35.9 93.8-146.4 -0.3 42.5 57.2 84 87 A K E +C 78 0A 73 -2,-0.3 36,-2.0 34,-0.2 37,-0.5 -0.159 56.2 178.2 -56.4 138.3 2.2 45.1 58.5 85 88 A L E -Cd 77 121A 7 -8,-2.1 -8,-2.2 34,-0.2 2,-0.6 -0.967 27.4-133.5-138.5 150.0 4.3 47.2 56.1 86 89 A L E -Cd 76 122A 0 35,-2.3 37,-2.2 -2,-0.3 2,-0.7 -0.940 24.5-157.4-104.8 122.8 6.9 50.0 56.7 87 90 A Y E -Cd 75 123A 45 -12,-3.1 -12,-1.7 -2,-0.6 2,-0.8 -0.893 4.4-153.3-107.9 115.2 6.1 52.9 54.4 88 91 A L E +Cd 74 124A 4 35,-2.5 37,-0.5 -2,-0.7 -14,-0.2 -0.780 19.9 172.2 -89.5 110.2 9.0 55.2 53.6 89 92 A E E + 0 0 89 -16,-2.1 2,-0.3 -2,-0.8 -15,-0.2 0.889 63.1 14.3 -83.8 -48.8 7.4 58.6 52.7 90 93 A D E +C 73 0A 37 -17,-1.6 -17,-2.7 2,-0.0 2,-0.3 -0.989 57.6 173.4-134.5 143.1 10.4 61.0 52.4 91 94 A F E +C 72 0A 42 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.2 -0.916 17.7 151.9-153.3 117.5 14.1 60.2 52.2 92 95 A F E -C 71 0A 15 -21,-2.2 -21,-2.3 -2,-0.3 2,-0.4 -0.989 25.2-169.1-157.7 138.7 16.7 63.0 51.6 93 96 A V E -C 70 0A 15 -2,-0.3 -23,-0.2 -23,-0.2 5,-0.1 -0.997 41.2-103.3-127.5 133.5 20.3 63.9 52.2 94 97 A X > - 0 0 26 -25,-2.8 3,-2.6 -2,-0.4 4,-0.3 -0.270 36.8-112.1 -54.9 138.1 21.6 67.4 51.5 95 98 A S G > S+ 0 0 80 1,-0.3 3,-2.3 2,-0.2 -1,-0.1 0.872 114.4 51.1 -36.0 -66.8 23.7 67.6 48.3 96 99 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.491 111.4 51.7 -56.8 -2.6 27.1 68.3 49.9 97 100 A Y G < S+ 0 0 30 -3,-2.6 3,-0.5 -28,-0.1 5,-0.4 0.378 86.4 105.7-119.0 7.2 26.6 65.3 52.2 98 101 A R < + 0 0 90 -3,-2.3 -4,-0.0 -4,-0.3 -3,-0.0 -0.347 66.9 36.7 -83.4 162.7 25.6 62.6 49.6 99 102 A G S S+ 0 0 84 -2,-0.1 -1,-0.2 1,-0.1 -4,-0.0 0.687 89.0 101.3 68.6 18.2 27.8 59.7 48.5 100 103 A F S S- 0 0 145 -3,-0.5 -2,-0.1 0, 0.0 -1,-0.1 0.472 101.7-100.9-107.4 -10.8 29.2 59.4 52.0 101 104 A G S > S+ 0 0 30 -4,-0.1 4,-1.9 3,-0.0 5,-0.1 0.446 88.3 120.3 102.9 3.1 27.1 56.4 53.0 102 105 A I H > S+ 0 0 4 -5,-0.4 4,-2.6 2,-0.2 5,-0.2 0.941 76.9 46.6 -64.8 -49.1 24.5 58.3 55.1 103 106 A G H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.903 111.0 52.8 -61.2 -41.5 21.6 57.2 53.0 104 107 A S H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.898 110.9 47.5 -60.9 -40.4 22.7 53.6 53.0 105 108 A E H X S+ 0 0 72 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.889 109.1 52.8 -69.5 -40.4 23.0 53.7 56.8 106 109 A I H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.950 110.1 49.1 -58.2 -45.9 19.5 55.3 57.1 107 110 A L H X S+ 0 0 17 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.850 108.9 53.1 -63.5 -33.7 18.1 52.5 55.0 108 111 A K H X S+ 0 0 115 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.923 109.6 48.9 -65.4 -44.7 19.9 49.9 57.2 109 112 A N H X S+ 0 0 35 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.903 110.6 49.8 -61.3 -42.5 18.3 51.5 60.2 110 113 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.912 106.8 56.0 -62.6 -40.8 14.9 51.4 58.6 111 114 A S H X S+ 0 0 54 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.858 108.3 47.6 -61.3 -35.3 15.3 47.8 57.7 112 115 A Q H X S+ 0 0 104 -4,-1.6 4,-3.1 2,-0.2 -1,-0.2 0.894 109.8 52.3 -72.7 -37.5 16.0 47.0 61.3 113 116 A V H X S+ 0 0 14 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.918 110.3 50.2 -61.8 -43.3 12.9 49.0 62.3 114 117 A A H <>S+ 0 0 9 -4,-2.9 5,-3.3 2,-0.2 4,-0.2 0.905 113.5 43.7 -61.5 -44.3 11.0 46.9 59.8 115 118 A X H ><5S+ 0 0 148 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.943 111.9 52.6 -68.6 -45.0 12.2 43.6 61.2 116 119 A R H 3<5S+ 0 0 185 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.888 114.0 44.3 -57.1 -37.6 11.8 44.6 64.8 117 120 A C T 3<5S- 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.450 113.1-123.0 -85.9 -0.4 8.2 45.5 63.9 118 121 A R T < 5 + 0 0 177 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.897 50.0 165.3 59.5 43.0 7.8 42.3 62.0 119 122 A C < - 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