==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAR-11 3R5D . COMPND 2 MOLECULE: TETRAHYDRODIPICOLINATE N-SUCCINYLETRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR T.SANDALOVA,R.SCHNELL,G.SCHNEIDER . 1919 18 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69798.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1448 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 274 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 297 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 12 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.3 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 . 3 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 . 230 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 209 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 0.9 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 3 0 0 0 0 1 9 11 6 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 23 52 18 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 . 12 6 6 14 11 11 0 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 . 0 6 0 12 3 0 0 0 0 0 0 6 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 3 A Q 0 0 152 0, 0.0 2,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-174.1 -18.0 6.9 -28.3 2 4 A S - 0 0 108 34,-0.0 30,-0.1 2,-0.0 28,-0.1 -0.665 360.0-137.5 -73.6 94.8 -16.4 3.9 -26.6 3 5 A L - 0 0 6 -2,-1.3 90,-0.3 1,-0.1 91,-0.1 -0.190 4.3-140.4 -51.1 143.7 -15.7 5.4 -23.2 4 6 A F S S- 0 0 31 88,-2.2 26,-2.8 1,-0.3 2,-0.3 0.862 76.7 -24.6 -71.5 -37.8 -12.3 4.5 -21.8 5 7 A S E -AB 29 92A 0 87,-1.5 87,-2.9 24,-0.3 2,-0.3 -0.984 52.9-169.6-166.6 155.9 -13.9 4.1 -18.3 6 8 A L E +AB 28 91A 0 22,-2.0 22,-2.6 -2,-0.3 2,-0.3 -0.977 9.8 174.6-149.5 156.6 -16.7 5.0 -15.9 7 9 A A E - B 0 90A 0 83,-1.2 83,-2.4 -2,-0.3 2,-0.5 -0.958 27.0-134.5-161.0 142.5 -17.4 4.5 -12.2 8 10 A F E - B 0 89A 1 -2,-0.3 17,-0.6 81,-0.2 18,-0.5 -0.880 37.1-174.2 -99.8 125.7 -19.9 5.5 -9.6 9 11 A G E -CB 24 88A 0 79,-2.3 79,-2.1 -2,-0.5 2,-0.4 -0.882 28.6-150.3-127.7 150.3 -18.2 6.7 -6.5 10 12 A V E +CB 23 87A 3 13,-2.5 13,-2.8 -2,-0.3 77,-0.2 -0.982 38.0 164.0-114.0 133.5 -18.9 7.7 -2.9 11 13 A G E -C 22 0A 1 75,-2.4 2,-0.4 -2,-0.4 11,-0.2 -0.538 34.5-102.5-134.4-166.1 -16.4 10.2 -1.6 12 14 A T E -C 21 0A 9 9,-2.2 8,-3.2 -2,-0.2 9,-1.1 -1.000 24.9-169.0-133.8 134.8 -15.5 12.8 1.0 13 15 A Q E -C 19 0A 63 -2,-0.4 6,-0.2 6,-0.2 129,-0.1 -0.887 16.8-131.9-116.3 150.5 -15.5 16.6 0.7 14 16 A N > - 0 0 21 4,-2.0 3,-1.2 -2,-0.3 -1,-0.1 -0.138 45.8 -82.3 -82.9-170.8 -14.1 19.2 3.0 15 17 A R T 3 S+ 0 0 186 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.733 129.3 53.1 -70.9 -22.8 -16.0 22.3 4.2 16 18 A Q T 3 S- 0 0 142 2,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.346 120.0-105.9 -93.1 5.9 -15.3 24.3 1.0 17 19 A E S < S+ 0 0 149 -3,-1.2 2,-0.4 1,-0.3 -2,-0.1 0.654 70.3 146.1 77.9 20.0 -16.6 21.5 -1.3 18 20 A A - 0 0 50 1,-0.0 -4,-2.0 83,-0.0 -1,-0.3 -0.752 52.7-117.2 -84.7 132.7 -13.1 20.3 -2.4 19 21 A W E -C 13 0A 44 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.505 30.6-180.0 -69.2 131.8 -13.0 16.5 -3.0 20 22 A L E - 0 0 6 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.765 65.1 -22.1 -99.0 -38.1 -10.5 14.7 -0.7 21 23 A E E -C 12 0A 2 -9,-1.1 -9,-2.2 119,-0.1 -1,-0.4 -0.967 52.9-143.4-166.5 157.9 -11.0 11.1 -2.0 22 24 A V E -C 11 0A 0 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.3 -0.986 7.0-150.7-132.0 144.6 -13.5 8.9 -3.8 23 25 A F E -C 10 0A 7 -13,-2.8 -13,-2.5 -2,-0.4 2,-0.6 -0.975 11.0-167.8-112.8 114.8 -14.3 5.2 -3.2 24 26 A Y E -C 9 0A 0 -2,-0.5 -15,-0.2 -15,-0.2 -2,-0.0 -0.945 4.6-171.4-104.9 114.8 -15.4 3.3 -6.4 25 27 A A S S+ 0 0 21 -17,-0.6 -1,-0.1 -2,-0.6 -16,-0.1 0.897 82.5 17.2 -68.0 -41.3 -16.9 -0.1 -5.5 26 28 A L S S- 0 0 69 -18,-0.5 -1,-0.2 47,-0.1 -18,-0.2 -0.469 76.8-172.8-138.3 60.3 -17.2 -1.4 -9.1 27 29 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 -20,-0.2 -0.265 14.5-144.0 -61.5 144.3 -15.0 0.7 -11.5 28 30 A L E -A 6 0A 37 -22,-2.6 -22,-2.0 3,-0.0 2,-0.5 -0.951 8.5-157.9-118.7 125.2 -15.5 -0.2 -15.2 29 31 A L E S-A 5 0A 53 -2,-0.5 -24,-0.3 1,-0.3 -25,-0.1 -0.892 85.2 -2.8 -96.0 131.5 -12.9 -0.3 -17.9 30 32 A K S S- 0 0 157 -26,-2.8 -1,-0.3 -2,-0.5 -25,-0.2 0.966 88.8-154.4 48.2 63.2 -14.4 0.1 -21.4 31 33 A P - 0 0 16 0, 0.0 2,-0.2 0, 0.0 -28,-0.1 -0.204 24.1 -96.1 -57.9 160.1 -18.0 0.1 -20.2 32 34 A S >> - 0 0 44 1,-0.1 4,-1.7 -30,-0.1 3,-0.9 -0.555 24.4-123.7 -77.1 146.6 -20.6 -1.1 -22.8 33 35 A S H 3> S+ 0 0 81 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.747 111.8 66.4 -63.2 -22.3 -22.3 1.7 -24.8 34 36 A E H 3> S+ 0 0 120 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.895 103.7 43.3 -59.1 -44.8 -25.6 0.2 -23.4 35 37 A I H <> S+ 0 0 7 -3,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.893 115.9 48.0 -69.6 -42.0 -24.6 1.3 -19.9 36 38 A V H >X S+ 0 0 17 -4,-1.7 4,-3.8 2,-0.2 3,-0.8 0.950 111.6 47.3 -67.9 -51.5 -23.4 4.7 -21.0 37 39 A A H 3< S+ 0 0 71 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.795 112.7 52.6 -59.9 -28.9 -26.4 5.5 -23.1 38 40 A A H 3< S+ 0 0 23 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.768 122.0 30.0 -72.4 -27.2 -28.5 4.4 -20.2 39 41 A V H S+ 0 0 13 -4,-3.8 4,-2.2 1,-0.2 5,-2.1 0.858 94.4 45.9 -56.4 -50.4 -25.5 9.8 -19.8 41 43 A P H 45S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.870 109.3 55.1 -61.2 -37.5 -28.8 11.8 -20.0 42 44 A I H 45S+ 0 0 47 -3,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.799 117.7 36.4 -67.3 -28.1 -29.6 11.3 -16.3 43 45 A L H <5S- 0 0 21 -4,-1.3 -1,-0.2 -3,-0.4 -3,-0.1 0.741 110.6-116.8 -90.5 -29.7 -26.2 12.8 -15.4 44 46 A G T <5 + 0 0 61 -4,-2.2 2,-0.5 1,-0.2 -4,-0.1 0.647 54.7 163.4 94.0 22.1 -26.0 15.4 -18.2 45 47 A Y < + 0 0 26 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.630 10.6 157.4 -80.4 122.5 -22.9 13.8 -19.8 46 48 A A - 0 0 96 -2,-0.5 2,-0.3 1,-0.4 -1,-0.2 0.799 59.0 -43.3-103.0 -65.3 -22.2 14.9 -23.3 47 49 A A S S+ 0 0 63 44,-0.0 -1,-0.4 2,-0.0 44,-0.1 -0.881 88.2 49.1-155.1 179.7 -18.5 14.3 -24.0 48 50 A G S S- 0 0 29 -2,-0.3 45,-1.0 1,-0.1 2,-0.7 -0.173 94.1 -44.9 79.3-167.6 -14.9 14.5 -22.6 49 51 A N E S+D 92 0A 31 43,-0.2 2,-0.3 44,-0.1 43,-0.2 -0.901 72.0 171.5-107.7 106.4 -13.5 13.4 -19.3 50 52 A Q E -D 91 0A 85 41,-2.5 41,-2.1 -2,-0.7 2,-0.6 -0.905 36.2-154.7-127.4 140.6 -16.0 14.6 -16.6 51 53 A A E -D 90 0A 37 -2,-0.3 2,-0.7 39,-0.2 39,-0.2 -0.880 28.2-169.8-111.6 95.5 -16.5 14.1 -12.8 52 54 A L E -D 89 0A 39 37,-3.4 37,-3.6 -2,-0.6 2,-0.2 -0.775 13.6-143.6 -99.1 114.1 -20.3 14.7 -12.4 53 55 A T E -D 88 0A 91 -2,-0.7 2,-0.3 35,-0.3 35,-0.2 -0.506 23.4-166.0 -70.3 138.3 -21.7 15.1 -8.9 54 56 A F E -D 87 0A 13 33,-1.0 33,-0.7 -2,-0.2 2,-0.1 -0.922 12.8-122.4-132.2 161.1 -25.1 13.5 -8.6 55 57 A T > - 0 0 62 -2,-0.3 4,-1.6 31,-0.1 33,-0.0 -0.289 33.2-101.6 -94.6 172.7 -27.9 13.6 -6.1 56 58 A S H > S+ 0 0 43 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.870 122.7 54.1 -62.3 -35.2 -29.6 10.9 -4.1 57 59 A Q H > S+ 0 0 104 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.934 104.3 53.2 -64.6 -48.7 -32.6 11.0 -6.5 58 60 A Q H > S+ 0 0 38 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.870 103.7 59.0 -55.4 -38.9 -30.3 10.5 -9.5 59 61 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.928 107.1 45.2 -55.5 -52.0 -28.9 7.4 -7.8 60 62 A Y H X S+ 0 0 114 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.960 115.1 48.6 -53.4 -53.3 -32.4 5.8 -7.6 61 63 A Q H X S+ 0 0 94 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.862 111.4 49.0 -57.9 -41.9 -33.1 6.8 -11.3 62 64 A L H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -1,-0.2 0.882 111.1 49.5 -68.0 -39.7 -29.7 5.4 -12.4 63 65 A A H X S+ 0 0 3 -4,-2.3 4,-0.9 -5,-0.2 3,-0.3 0.925 112.2 49.8 -59.8 -44.4 -30.3 2.1 -10.6 64 66 A D H < S+ 0 0 132 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.774 109.4 51.2 -65.7 -31.6 -33.8 2.0 -12.2 65 67 A A H < S+ 0 0 34 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.756 114.2 43.8 -76.4 -25.5 -32.2 2.7 -15.7 66 68 A L H >X S+ 0 0 0 -4,-1.4 4,-2.1 -3,-0.3 3,-1.2 0.429 77.5 113.8-105.7 -2.0 -29.7 -0.2 -15.2 67 69 A K T 3< S+ 0 0 150 -4,-0.9 4,-0.1 1,-0.2 -4,-0.0 -0.638 91.2 21.0 -63.7 111.3 -32.0 -2.9 -13.8 68 70 A G T 34 S+ 0 0 83 -2,-0.7 -1,-0.2 0, 0.0 3,-0.1 0.051 123.0 57.1 114.1 -24.4 -31.8 -5.3 -16.7 69 71 A I T <4 S- 0 0 78 -3,-1.2 2,-0.3 1,-0.2 -2,-0.2 0.818 126.1 -0.3-100.8 -51.5 -28.6 -4.1 -18.3 70 72 A D X - 0 0 46 -4,-2.1 4,-1.8 1,-0.1 -1,-0.2 -0.828 60.3-175.1-144.9 101.9 -26.1 -4.5 -15.4 71 73 A A H > S+ 0 0 70 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.732 85.1 55.1 -72.7 -26.5 -27.5 -5.8 -12.1 72 74 A A H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.930 112.1 42.8 -69.6 -48.4 -24.3 -5.3 -10.1 73 75 A Q H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.814 116.1 51.0 -63.9 -34.5 -24.0 -1.6 -11.1 74 76 A S H X S+ 0 0 3 -4,-1.8 4,-1.8 -8,-0.3 -2,-0.2 0.948 110.4 46.9 -65.9 -51.5 -27.8 -1.4 -10.4 75 77 A A H X S+ 0 0 60 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.921 113.5 50.9 -55.9 -46.8 -27.4 -3.0 -7.0 76 78 A L H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 3,-0.5 0.935 107.5 51.7 -53.5 -51.7 -24.5 -0.7 -6.3 77 79 A L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.820 106.1 53.6 -63.6 -32.4 -26.4 2.5 -7.3 78 80 A S H X S+ 0 0 54 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.829 109.1 49.9 -71.1 -31.2 -29.3 1.7 -5.0 79 81 A R H >< S+ 0 0 88 -4,-1.4 3,-1.0 -3,-0.5 -2,-0.2 0.913 108.6 53.1 -67.2 -44.2 -26.9 1.4 -2.1 80 82 A L H >< S+ 0 0 3 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.795 97.6 65.1 -62.4 -29.5 -25.3 4.7 -3.1 81 83 A A H 3< S+ 0 0 3 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 100.6 51.8 -62.8 -29.5 -28.8 6.4 -3.0 82 84 A E T << S+ 0 0 106 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.226 87.9 131.2 -90.0 15.3 -28.9 5.7 0.8 83 85 A S < - 0 0 26 -3,-1.7 396,-0.2 1,-0.1 395,-0.1 -0.355 54.0-153.0 -76.6 149.4 -25.5 7.3 1.3 84 86 A Q S S+ 0 0 149 394,-3.0 -1,-0.1 393,-0.2 395,-0.1 0.257 81.1 64.5 -93.5 7.7 -24.6 9.9 4.0 85 87 A K S S- 0 0 53 393,-0.2 -73,-0.1 -5,-0.2 -2,-0.1 -0.911 95.0 -82.7-137.3 156.1 -21.8 11.2 1.7 86 88 A P - 0 0 42 0, 0.0 -75,-2.4 0, 0.0 2,-0.3 -0.260 40.0-141.9 -68.9 146.7 -21.6 12.9 -1.7 87 89 A L E -BD 10 54A 10 -33,-0.7 -33,-1.0 -77,-0.2 2,-0.3 -0.712 13.4-168.7-107.8 151.8 -21.7 10.9 -4.9 88 90 A V E -BD 9 53A 1 -79,-2.1 -79,-2.3 -2,-0.3 2,-0.6 -0.984 13.5-151.7-142.8 131.8 -19.7 11.4 -8.2 89 91 A A E -BD 8 52A 0 -37,-3.6 -37,-3.4 -2,-0.3 2,-0.6 -0.911 15.2-163.4 -97.2 125.4 -20.1 9.9 -11.6 90 92 A T E +BD 7 51A 0 -83,-2.4 -83,-1.2 -2,-0.6 2,-0.5 -0.913 11.1 177.0-114.1 105.6 -16.7 9.8 -13.4 91 93 A L E -BD 6 50A 0 -41,-2.1 -41,-2.5 -2,-0.6 2,-0.6 -0.942 8.3-166.2-113.2 124.7 -17.1 9.2 -17.1 92 94 A L E -BD 5 49A 0 -87,-2.9 -88,-2.2 -2,-0.5 -87,-1.5 -0.936 17.2-173.9-119.2 110.8 -13.9 9.3 -19.2 93 95 A A S S+ 0 0 11 -45,-1.0 2,-0.3 -2,-0.6 -1,-0.2 0.932 79.4 16.2 -59.0 -47.3 -14.0 9.5 -23.0 94 96 A E S S- 0 0 120 -91,-0.1 2,-1.5 -90,-0.1 -1,-0.2 -0.940 77.5-111.3-134.9 149.8 -10.2 9.0 -23.2 95 97 A D + 0 0 51 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.0 -0.673 67.6 144.6 -72.8 89.4 -7.3 7.8 -21.1 96 98 A A - 0 0 37 -2,-1.5 26,-0.1 26,-0.1 3,-0.1 -0.632 60.0 -58.3-122.9-179.7 -5.7 11.3 -20.8 97 99 A A S S- 0 0 55 -2,-0.2 26,-0.1 1,-0.1 28,-0.1 -0.464 72.0-103.4 -60.5 123.6 -3.8 13.4 -18.3 98 100 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.202 37.8-178.1 -59.9 142.5 -6.1 13.6 -15.2 99 101 A S + 0 0 83 1,-0.1 2,-0.3 -3,-0.1 3,-0.1 0.459 63.8 39.7-117.9 -7.2 -8.0 16.9 -14.7 100 102 A S S > S- 0 0 27 1,-0.1 4,-2.3 -50,-0.0 5,-0.1 -0.976 75.3-120.7-141.5 155.1 -9.9 16.1 -11.5 101 103 A T H > S+ 0 0 26 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.899 115.8 56.2 -59.8 -40.2 -9.3 14.4 -8.1 102 104 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 109.8 45.3 -57.9 -43.8 -12.2 12.1 -8.9 103 105 A E H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.867 110.7 53.0 -68.1 -40.8 -10.5 11.1 -12.1 104 106 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.936 111.4 47.4 -58.8 -47.2 -7.1 10.7 -10.4 105 107 A Y H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.904 108.9 54.0 -60.7 -41.6 -8.8 8.4 -7.9 106 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.937 107.1 50.3 -60.8 -45.8 -10.5 6.3 -10.6 107 109 A K H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.3 -1,-0.2 0.851 108.1 52.8 -65.3 -34.0 -7.3 5.6 -12.4 108 110 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 83,-0.5 0.881 109.4 49.9 -66.2 -36.5 -5.7 4.5 -9.2 109 111 A H H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 6,-0.3 0.851 103.2 59.7 -66.9 -38.0 -8.6 2.1 -8.7 110 112 A L H <>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 6,-1.5 0.905 111.0 42.7 -58.7 -37.9 -8.3 0.7 -12.3 111 113 A L H ><5S+ 0 0 0 -4,-1.4 3,-1.7 4,-0.2 -2,-0.2 0.961 115.8 45.2 -69.5 -52.2 -4.8 -0.3 -11.3 112 114 A S H 3<5S+ 0 0 0 -4,-2.2 82,-0.3 1,-0.3 -2,-0.2 0.801 110.6 53.7 -71.6 -27.5 -5.5 -1.8 -7.9 113 115 A H T 3<5S- 0 0 48 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.517 114.3-122.3 -72.9 -7.3 -8.6 -3.7 -9.1 114 116 A R T < 5S+ 0 0 52 -3,-1.7 -3,-0.2 2,-0.2 -2,-0.1 0.706 76.0 128.2 68.3 27.0 -6.2 -5.1 -11.8 115 117 A L S - 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