==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-SEP-13 4MJ8 . COMPND 2 MOLECULE: SPERMIDINE N1-ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR E.V.FILIPPOVA,G.MINASOV,L.SHUVALOVA,O.KIRYUKHINA,M.L.KUHN, . 508 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 367 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 24.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 24.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.8 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 3 1 0 3 3 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 PARALLEL BRIDGES PER LADDER . 1 0 0 3 0 3 6 3 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 . 0 0 0 0 0 1 0 0 0 0 0 0 1 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 2 A N > 0 0 108 0, 0.0 3,-0.8 0, 0.0 95,-0.0 0.000 360.0 360.0 360.0-179.8 -29.7 -58.3 40.5 2 3 A S T 3 + 0 0 97 1,-0.2 95,-0.0 98,-0.0 59,-0.0 0.351 360.0 77.3 -83.9 5.7 -28.3 -61.8 40.6 3 4 A Q T 3 S+ 0 0 76 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.269 72.4 107.7 -94.0 8.6 -30.1 -62.9 37.4 4 5 A L < - 0 0 0 -3,-0.8 2,-0.3 57,-0.2 57,-0.2 -0.694 55.5-164.3 -79.2 141.3 -27.3 -61.0 35.5 5 6 A T E -A 60 0A 62 55,-2.5 55,-1.9 -2,-0.3 2,-0.5 -0.967 17.5-143.9-132.8 146.4 -24.8 -63.2 33.7 6 7 A L E +A 59 0A 37 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.918 30.1 162.3-101.5 133.6 -21.4 -62.9 32.1 7 8 A R E -A 58 0A 72 51,-2.2 51,-2.8 -2,-0.5 3,-0.1 -0.976 43.5 -76.6-146.5 160.5 -20.6 -64.9 29.0 8 9 A A E -A 57 0A 55 -2,-0.3 49,-0.2 49,-0.2 2,-0.1 -0.246 51.6-104.5 -57.7 139.8 -18.1 -64.8 26.2 9 10 A L - 0 0 14 47,-2.4 2,-0.3 2,-0.0 -1,-0.1 -0.379 42.6-165.9 -62.2 137.6 -18.4 -62.2 23.5 10 11 A E > - 0 0 104 -3,-0.1 3,-1.7 -2,-0.1 4,-0.2 -0.814 35.1-106.9-126.6 164.4 -19.8 -63.7 20.2 11 12 A R G > S+ 0 0 109 1,-0.3 3,-1.8 -2,-0.3 4,-0.3 0.867 117.1 62.3 -61.1 -38.0 -20.0 -62.5 16.6 12 13 A G G 3 S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.563 98.9 57.7 -64.6 -10.6 -23.8 -62.0 17.0 13 14 A D G <> S+ 0 0 15 -3,-1.7 4,-1.8 1,-0.1 3,-0.4 0.443 78.5 94.5 -96.0 -6.6 -23.1 -59.4 19.7 14 15 A L H <> S+ 0 0 0 -3,-1.8 4,-3.0 -4,-0.2 5,-0.2 0.813 77.0 57.6 -61.4 -29.7 -21.0 -57.2 17.5 15 16 A R H > S+ 0 0 159 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.918 107.9 49.8 -66.7 -38.1 -23.8 -54.8 16.4 16 17 A F H > S+ 0 0 31 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.939 112.8 46.0 -62.3 -43.8 -24.3 -54.1 20.1 17 18 A I H X S+ 0 0 0 -4,-1.8 4,-3.6 1,-0.2 5,-0.2 0.909 109.3 55.1 -66.0 -42.8 -20.5 -53.4 20.6 18 19 A H H X S+ 0 0 47 -4,-3.0 4,-1.0 1,-0.2 -1,-0.2 0.883 105.8 52.6 -56.9 -40.0 -20.4 -51.3 17.5 19 20 A N H < S+ 0 0 105 -4,-1.8 -1,-0.2 2,-0.2 3,-0.2 0.891 113.5 42.0 -65.4 -39.7 -23.2 -49.1 18.9 20 21 A L H >< S+ 0 0 1 -4,-1.5 3,-2.2 1,-0.2 7,-0.3 0.933 111.7 56.6 -70.5 -41.3 -21.3 -48.6 22.2 21 22 A N H 3< S+ 0 0 19 -4,-3.6 -1,-0.2 1,-0.3 -2,-0.2 0.672 107.0 48.3 -68.8 -16.1 -17.9 -48.1 20.4 22 23 A N T 3< S+ 0 0 61 -4,-1.0 2,-0.7 -3,-0.2 -1,-0.3 0.198 88.7 101.8-107.0 17.2 -19.3 -45.3 18.3 23 24 A N X> - 0 0 42 -3,-2.2 4,-2.9 1,-0.2 3,-0.6 -0.866 57.8-158.6-106.8 112.6 -20.8 -43.5 21.3 24 25 A R H 3> S+ 0 0 153 -2,-0.7 4,-1.5 1,-0.2 -1,-0.2 0.895 92.6 51.7 -54.1 -47.0 -18.7 -40.5 22.4 25 26 A N H 34 S+ 0 0 117 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.829 114.7 42.1 -62.5 -31.8 -20.3 -40.6 25.9 26 27 A I H X4 S+ 0 0 3 -3,-0.6 3,-0.9 -6,-0.2 4,-0.3 0.904 112.9 50.5 -82.4 -43.4 -19.6 -44.3 26.4 27 28 A M H ><>S+ 0 0 4 -4,-2.9 5,-2.4 -7,-0.3 3,-1.1 0.703 93.8 72.2 -69.5 -25.3 -16.1 -44.4 25.0 28 29 A S G ><5S+ 0 0 30 -4,-1.5 3,-1.1 -5,-0.3 -1,-0.2 0.856 91.7 61.5 -54.6 -34.3 -14.8 -41.4 27.1 29 30 A Y G < 5S+ 0 0 117 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.678 109.1 40.8 -66.9 -21.0 -15.0 -43.9 30.1 30 31 A W G < 5S- 0 0 20 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.340 112.1-119.5-106.0 4.0 -12.5 -46.1 28.4 31 32 A F T < 5 + 0 0 21 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.846 69.5 137.5 61.9 37.6 -10.3 -43.2 27.1 32 33 A E < - 0 0 104 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.830 63.3-104.7-120.2 152.1 -10.9 -44.4 23.6 33 34 A E - 0 0 121 -2,-0.3 2,-1.6 -3,-0.1 117,-0.0 -0.614 31.0-132.5 -71.1 129.8 -11.8 -42.7 20.3 34 35 A P S S+ 0 0 51 0, 0.0 2,-0.4 0, 0.0 -10,-0.2 -0.357 73.8 95.2 -85.9 61.0 -15.5 -43.1 19.5 35 36 A Y + 0 0 157 -2,-1.6 2,-0.3 -12,-0.1 -13,-0.1 -0.940 35.7 143.0-147.6 118.1 -15.1 -44.2 15.8 36 37 A E - 0 0 28 -2,-0.4 -15,-0.0 -18,-0.1 -14,-0.0 -0.747 37.5-138.1-157.9 115.7 -15.0 -47.7 14.6 37 38 A S > - 0 0 48 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.295 29.9-114.6 -65.4 157.0 -16.4 -49.0 11.4 38 39 A F H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 117.9 55.8 -59.0 -36.0 -18.1 -52.4 11.7 39 40 A D H > S+ 0 0 101 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.895 107.2 47.4 -66.3 -34.2 -15.4 -53.8 9.5 40 41 A E H > S+ 0 0 96 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.962 113.9 49.2 -70.1 -44.4 -12.6 -52.7 11.8 41 42 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.950 115.6 42.0 -55.3 -53.5 -14.5 -54.1 14.8 42 43 A E H X S+ 0 0 49 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.842 112.6 51.0 -68.9 -40.5 -15.1 -57.3 13.2 43 44 A E H X S+ 0 0 134 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.853 112.2 48.6 -66.3 -34.7 -11.7 -57.8 11.7 44 45 A L H X S+ 0 0 66 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.898 109.3 52.8 -69.9 -37.1 -10.1 -57.0 15.1 45 46 A Y H < S+ 0 0 38 -4,-2.5 4,-0.4 -5,-0.3 3,-0.3 0.954 111.2 48.2 -58.3 -47.3 -12.5 -59.6 16.7 46 47 A N H >< S+ 0 0 66 -4,-2.4 3,-1.3 1,-0.2 4,-0.3 0.941 109.1 53.0 -60.7 -43.7 -11.3 -62.1 14.0 47 48 A K H 3< S+ 0 0 157 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.843 112.6 43.5 -61.4 -33.5 -7.7 -61.3 14.7 48 49 A H T >< S+ 0 0 55 -4,-1.7 3,-1.4 -3,-0.3 -1,-0.3 0.295 74.6 111.7-101.5 12.9 -8.0 -61.9 18.5 49 50 A I T < S+ 0 0 88 -3,-1.3 -1,-0.2 -4,-0.4 -2,-0.1 0.877 91.6 31.5 -49.6 -47.1 -10.1 -65.0 18.5 50 51 A H T 3 S+ 0 0 177 -3,-0.3 2,-0.7 -4,-0.3 -1,-0.3 0.322 85.5 126.6 -98.5 13.3 -7.1 -67.0 19.9 51 52 A D X - 0 0 58 -3,-1.4 3,-0.8 1,-0.2 -3,-0.1 -0.540 40.1-168.5 -78.1 110.3 -5.5 -64.3 21.9 52 53 A N T 3 S+ 0 0 89 -2,-0.7 -1,-0.2 1,-0.2 -3,-0.0 0.581 73.4 79.7 -75.3 -8.2 -5.1 -65.7 25.4 53 54 A A T 3 S+ 0 0 33 21,-0.1 22,-2.8 29,-0.0 21,-0.3 0.378 95.6 43.9 -85.2 5.1 -4.2 -62.2 26.8 54 55 A E < - 0 0 46 -3,-0.8 2,-0.4 19,-0.2 19,-0.2 -0.992 55.3-162.7-146.7 156.8 -7.8 -61.0 27.0 55 56 A R E - B 0 72A 61 17,-2.7 17,-2.5 -2,-0.3 2,-0.5 -0.945 15.4-165.2-137.0 117.2 -11.2 -62.2 27.9 56 57 A R E - B 0 71A 47 -2,-0.4 -47,-2.4 15,-0.2 2,-0.3 -0.905 10.9-175.4-108.4 126.3 -14.2 -60.2 26.5 57 58 A F E -AB 8 70A 12 13,-3.3 13,-2.1 -2,-0.5 2,-0.4 -0.905 18.0-150.8-122.6 151.6 -17.7 -60.6 28.1 58 59 A V E -AB 7 69A 0 -51,-2.8 -51,-2.2 -2,-0.3 2,-0.5 -0.859 19.2-137.0-113.7 151.4 -21.1 -59.4 27.4 59 60 A V E +AB 6 68A 0 9,-2.4 8,-3.7 -2,-0.4 9,-1.0 -0.944 24.5 177.7-112.6 129.6 -23.6 -59.1 30.2 60 61 A E E -AB 5 66A 19 -55,-1.9 -55,-2.5 -2,-0.5 6,-0.2 -0.897 19.8-137.7-126.7 157.5 -27.2 -60.2 29.8 61 62 A D > - 0 0 25 4,-1.6 3,-2.1 -2,-0.3 -57,-0.2 -0.449 48.4 -80.4-100.9-176.6 -30.2 -60.3 32.0 62 63 A A T 3 S+ 0 0 59 1,-0.3 -58,-0.1 -2,-0.2 -1,-0.0 0.820 130.5 53.1 -55.4 -34.4 -32.7 -63.2 32.3 63 64 A Q T 3 S- 0 0 145 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.361 118.9-108.5 -83.3 6.3 -34.6 -62.1 29.2 64 65 A K < + 0 0 136 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.705 65.3 154.3 73.5 19.1 -31.3 -62.0 27.1 65 66 A N - 0 0 80 1,-0.1 -4,-1.6 2,-0.0 2,-0.5 -0.668 49.7-118.3 -77.3 137.1 -31.3 -58.2 26.9 66 67 A L E +B 60 0A 43 -2,-0.3 -6,-0.3 -6,-0.2 3,-0.1 -0.683 35.9 177.3 -79.9 124.1 -27.6 -57.1 26.4 67 68 A I E - 0 0 0 -8,-3.7 22,-2.7 -2,-0.5 2,-0.3 0.783 48.2 -64.3-101.7 -38.1 -26.7 -55.0 29.4 68 69 A G E -BC 59 88A 0 -9,-1.0 -9,-2.4 20,-0.3 2,-0.3 -0.972 52.2 -76.2 177.1-160.6 -23.1 -54.0 28.9 69 70 A L E -BC 58 87A 2 18,-2.3 18,-2.6 -2,-0.3 2,-0.4 -0.970 20.3-169.2-132.8 151.0 -19.6 -55.3 28.6 70 71 A V E -BC 57 86A 0 -13,-2.1 -13,-3.3 -2,-0.3 2,-0.4 -0.996 13.3-174.9-137.8 127.5 -16.8 -56.5 30.8 71 72 A E E -BC 56 85A 13 14,-2.9 14,-2.2 -2,-0.4 2,-0.5 -0.990 18.7-163.2-128.4 140.3 -13.3 -57.0 29.7 72 73 A L E +BC 55 84A 1 -17,-2.5 -17,-2.7 -2,-0.4 2,-0.3 -0.994 32.4 174.4-114.0 114.5 -10.1 -58.4 31.3 73 74 A I E + C 0 83A 31 10,-2.9 10,-3.0 -2,-0.5 -19,-0.2 -0.802 46.4 30.9-124.7 168.3 -7.2 -57.3 29.2 74 75 A E E S- 0 0 120 -21,-0.3 2,-0.3 -2,-0.3 -20,-0.2 0.865 73.2-171.3 54.8 39.8 -3.3 -57.4 29.2 75 76 A I E - 0 0 10 -22,-2.8 2,-0.5 -3,-0.2 7,-0.2 -0.482 3.0-162.2 -63.2 123.6 -3.5 -60.6 31.0 76 77 A N E >> - C 0 81A 63 5,-2.6 4,-1.0 -2,-0.3 5,-0.7 -0.944 12.3-161.0-115.8 124.7 0.0 -61.4 32.1 77 78 A Y T 45S+ 0 0 105 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.493 87.7 44.0 -89.8 -2.4 0.8 -64.9 33.1 78 79 A I T 45S+ 0 0 76 3,-0.1 -1,-0.1 409,-0.0 -2,-0.0 0.809 122.8 35.7 -94.8 -54.6 4.0 -64.3 35.0 79 80 A H T 45S- 0 0 14 2,-0.1 -2,-0.2 1,-0.1 37,-0.1 0.631 98.9-138.6 -74.5 -11.5 2.9 -61.3 36.9 80 81 A R T <5 + 0 0 61 -4,-1.0 36,-2.5 1,-0.2 37,-2.4 0.878 57.5 127.0 57.6 41.1 -0.7 -62.7 37.3 81 82 A S E < +Cd 76 117A 7 -5,-0.7 -5,-2.6 35,-0.2 2,-0.3 -0.873 31.9 173.8-127.9 158.8 -2.3 -59.3 36.6 82 83 A A E - d 0 118A 0 35,-1.5 37,-1.9 -2,-0.3 2,-0.4 -0.974 31.0-113.6-154.7 159.4 -4.9 -57.9 34.2 83 84 A E E -Cd 73 119A 33 -10,-3.0 -10,-2.9 -2,-0.3 2,-0.4 -0.817 27.4-149.8 -96.9 136.5 -6.7 -54.7 33.6 84 85 A F E +C 72 0A 3 35,-2.7 2,-0.4 -2,-0.4 37,-0.4 -0.854 18.4 174.4-105.3 132.6 -10.5 -54.6 34.2 85 86 A Q E -C 71 0A 20 -14,-2.2 -14,-2.9 -2,-0.4 2,-0.3 -0.992 5.4-172.2-139.9 147.2 -12.8 -52.4 32.2 86 87 A I E -C 70 0A 22 -2,-0.4 2,-0.4 -16,-0.2 -16,-0.2 -0.991 11.6-170.2-140.5 147.5 -16.5 -52.2 32.1 87 88 A I E -C 69 0A 9 -18,-2.6 -18,-2.3 -2,-0.3 2,-0.5 -0.995 6.2-163.3-135.8 130.6 -19.4 -50.5 30.3 88 89 A I E -C 68 0A 24 -2,-0.4 -20,-0.3 -20,-0.2 5,-0.1 -0.971 35.3-112.9-110.9 125.0 -23.0 -50.4 31.2 89 90 A A >> - 0 0 0 -22,-2.7 3,-2.0 -2,-0.5 4,-0.6 -0.217 29.2-107.5 -55.3 148.4 -25.2 -49.4 28.3 90 91 A P G >4 S+ 0 0 56 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.856 116.8 55.4 -43.1 -51.2 -27.0 -46.0 28.6 91 92 A E G 34 S+ 0 0 122 1,-0.3 -2,-0.1 3,-0.0 -24,-0.0 0.616 113.1 43.7 -62.8 -15.4 -30.4 -47.4 29.2 92 93 A H G X4 S+ 0 0 24 -3,-2.0 3,-1.2 -25,-0.2 5,-0.4 0.364 81.8 118.3-113.3 0.1 -29.2 -49.5 32.2 93 94 A Q T << S+ 0 0 87 -3,-1.4 -4,-0.0 -4,-0.6 0, 0.0 -0.378 75.8 23.1 -67.0 145.9 -27.0 -47.1 34.0 94 95 A G T 3 S+ 0 0 85 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 0.461 87.8 109.5 79.4 4.5 -28.1 -46.3 37.6 95 96 A K S < S- 0 0 118 -3,-1.2 -2,-0.1 1,-0.0 -1,-0.1 0.553 93.6-102.6 -89.8 -6.4 -30.1 -49.4 38.1 96 97 A G S S+ 0 0 56 -4,-0.2 4,-0.4 -95,-0.0 3,-0.1 0.620 89.0 116.6 97.2 14.9 -27.6 -51.0 40.6 97 98 A F > + 0 0 29 -5,-0.4 4,-2.6 1,-0.1 5,-0.3 0.731 54.0 81.1 -84.5 -25.5 -26.0 -53.5 38.3 98 99 A A H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.894 92.2 45.2 -52.1 -49.9 -22.5 -52.1 38.5 99 100 A R H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.871 113.0 51.1 -62.4 -39.1 -21.5 -53.7 41.9 100 101 A T H > S+ 0 0 38 -4,-0.4 4,-2.4 -3,-0.2 -1,-0.2 0.957 112.8 46.3 -62.0 -47.9 -22.8 -57.1 40.9 101 102 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.864 110.8 50.8 -68.1 -36.0 -20.9 -56.9 37.6 102 103 A I H X S+ 0 0 2 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.961 111.1 50.5 -63.3 -47.6 -17.7 -55.8 39.2 103 104 A N H X S+ 0 0 75 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.902 108.7 51.4 -57.7 -42.5 -18.0 -58.6 41.6 104 105 A R H X S+ 0 0 61 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.869 109.5 50.4 -61.3 -39.4 -18.6 -61.1 38.7 105 106 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.875 111.9 46.9 -63.9 -41.2 -15.4 -59.9 37.0 106 107 A L H X S+ 0 0 2 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.908 110.7 52.6 -66.7 -43.6 -13.4 -60.3 40.2 107 108 A D H X S+ 0 0 64 -4,-2.8 4,-2.8 -5,-0.2 5,-0.5 0.921 111.6 46.2 -56.4 -44.7 -14.9 -63.7 40.7 108 109 A Y H X>S+ 0 0 62 -4,-2.2 5,-2.3 1,-0.2 4,-1.5 0.947 115.3 46.9 -62.9 -49.3 -13.8 -64.7 37.2 109 110 A S H <5S+ 0 0 0 -4,-2.4 6,-2.7 3,-0.2 -2,-0.2 0.893 124.0 30.3 -59.5 -42.6 -10.4 -63.2 37.6 110 111 A F H <5S+ 0 0 4 -4,-3.1 -2,-0.2 4,-0.2 -1,-0.2 0.738 126.2 36.1 -96.7 -24.5 -9.7 -64.7 41.0 111 112 A T H <5S+ 0 0 73 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.599 131.8 22.4-105.1 -15.6 -11.6 -68.1 41.1 112 113 A I T <5S+ 0 0 98 -4,-1.5 -3,-0.2 -5,-0.5 -4,-0.1 0.727 128.7 35.1-114.4 -56.8 -11.1 -69.1 37.5 113 114 A L S - 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