==== 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 HYDROLASE 30-JUL-03 1Q3K . COMPND 2 MOLECULE: CREATININASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR B.BEUTH,K.NIEFIND,D.SCHOMBURG . 1554 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1064 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 133 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 3.1 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 . 0 0.0 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 . 4 0.3 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 . 108 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 531 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 6 0 0 6 1 6 5 0 0 0 0 0 0 12 6 0 0 0 6 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 18 6 0 0 5 7 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 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 6 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 2 A S 0 0 136 0, 0.0 2,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.8 20.5 28.2 42.6 2 3 A K + 0 0 152 2,-0.1 2,-0.3 7,-0.0 7,-0.1 -0.414 360.0 174.2 -65.4 76.8 17.6 26.1 41.5 3 4 A S - 0 0 19 -2,-2.3 0, 0.0 5,-0.1 0, 0.0 -0.621 32.2-147.5 -83.2 144.8 19.3 24.2 38.6 4 5 A V S S+ 0 0 19 -2,-0.3 59,-3.5 58,-0.1 2,-0.6 0.482 74.5 95.3 -88.8 -3.8 17.3 21.4 36.9 5 6 A F B > -a 63 0A 41 57,-0.2 3,-1.9 1,-0.2 4,-0.3 -0.817 66.9-150.4 -93.2 118.3 20.6 19.5 36.3 6 7 A V G > S+ 0 0 0 57,-2.3 3,-1.8 -2,-0.6 295,-0.5 0.834 95.8 63.7 -51.3 -38.1 21.4 16.9 38.9 7 8 A G G 3 S+ 0 0 3 56,-0.6 295,-2.0 1,-0.3 294,-0.9 0.776 100.8 49.6 -62.3 -24.5 25.1 17.5 38.2 8 9 A E G < S+ 0 0 80 -3,-1.9 -1,-0.3 292,-0.2 2,-0.2 0.359 100.2 82.3 -95.6 2.6 24.9 21.0 39.4 9 10 A L S < S- 0 0 5 -3,-1.8 292,-0.9 -4,-0.3 2,-0.2 -0.646 81.3-115.4-102.1 164.9 23.2 20.1 42.7 10 11 A T > - 0 0 7 -2,-0.2 4,-2.3 290,-0.2 5,-0.2 -0.540 32.7-108.5 -90.0 164.9 24.8 18.8 45.9 11 12 A W H > S+ 0 0 17 285,-0.7 4,-3.4 288,-0.4 5,-0.2 0.856 119.1 55.0 -65.1 -31.1 23.9 15.3 47.0 12 13 A K H > S+ 0 0 79 284,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.902 107.9 48.9 -68.3 -40.6 21.9 16.6 49.9 13 14 A E H > S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.973 115.1 44.5 -64.6 -45.8 19.8 18.7 47.5 14 15 A Y H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.933 110.3 53.7 -60.3 -50.3 19.3 15.7 45.2 15 16 A E H X S+ 0 0 68 -4,-3.4 4,-3.0 1,-0.2 5,-0.3 0.910 109.8 50.5 -51.6 -44.1 18.5 13.3 48.1 16 17 A A H X S+ 0 0 58 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.956 107.2 51.2 -61.7 -52.6 15.9 15.7 49.2 17 18 A R H < S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.862 114.8 44.8 -53.7 -32.9 14.2 16.0 45.9 18 19 A V H >< S+ 0 0 21 -4,-2.0 3,-1.5 -5,-0.2 5,-0.4 0.898 111.8 50.0 -77.1 -43.6 14.1 12.2 45.7 19 20 A A H 3< S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.757 95.3 75.3 -66.8 -21.9 12.8 11.7 49.3 20 21 A A T 3< S- 0 0 81 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.589 109.8-114.2 -66.7 -8.7 10.1 14.3 48.6 21 22 A G S < S+ 0 0 30 -3,-1.5 -1,-0.1 -5,-0.1 -2,-0.1 0.220 84.1 34.1 88.9 150.6 8.4 11.6 46.5 22 23 A D + 0 0 66 1,-0.2 2,-0.4 -3,-0.1 -4,-0.1 0.723 69.7 173.5 40.8 39.2 7.5 11.2 42.9 23 24 A C - 0 0 13 -5,-0.4 2,-0.5 -6,-0.1 89,-0.5 -0.554 22.0-143.5 -74.8 125.6 10.7 12.9 41.6 24 25 A V - 0 0 13 -2,-0.4 38,-2.5 36,-0.3 2,-0.3 -0.785 12.0-160.7 -94.5 127.6 11.0 12.6 37.8 25 26 A L E -bc 62 113A 0 87,-2.2 89,-2.9 -2,-0.5 2,-0.4 -0.811 1.9-156.4-105.5 146.6 14.5 12.1 36.3 26 27 A M E -bc 63 114A 0 36,-2.1 38,-3.1 -2,-0.3 89,-0.2 -0.985 4.1-166.0-126.9 124.9 15.4 12.9 32.7 27 28 A L E - c 0 115A 1 87,-2.9 89,-3.3 -2,-0.4 2,-0.4 -0.925 11.0-149.6-109.6 113.6 18.3 11.3 30.7 28 29 A P E - c 0 116A 1 0, 0.0 39,-3.1 0, 0.0 2,-0.5 -0.661 13.4-167.3 -75.6 134.9 19.3 12.9 27.5 29 30 A V E +dc 67 117A 0 87,-3.0 89,-3.2 -2,-0.4 90,-0.8 -0.949 25.3 136.5-127.3 113.4 20.8 10.3 25.1 30 31 A G - 0 0 0 37,-2.7 2,-0.3 -2,-0.5 41,-0.2 -0.080 35.9-121.6-126.2-135.6 22.5 11.6 22.1 31 32 A A - 0 0 2 38,-0.2 2,-0.6 39,-0.1 14,-0.4 -0.963 20.4-114.4-171.2 166.5 25.7 11.1 19.9 32 33 A L B +G 87 0B 1 55,-0.6 55,-2.6 -2,-0.3 2,-0.3 -0.962 59.6 149.6-115.9 101.4 28.8 12.7 18.5 33 34 A E - 0 0 2 8,-2.1 10,-0.3 -2,-0.6 11,-0.2 -0.997 52.2 -99.8-144.6 139.1 28.0 12.7 14.8 34 35 A Q - 0 0 0 -2,-0.3 6,-0.1 50,-0.1 3,-0.1 -0.237 29.4-172.4 -53.0 139.9 28.8 14.7 11.7 35 36 A H > - 0 0 0 1,-0.6 4,-0.8 4,-0.5 3,-0.4 -0.399 47.5 -87.9-135.0 56.5 25.9 17.0 10.8 36 37 A G T 4 - 0 0 0 187,-0.2 235,-0.8 1,-0.2 -1,-0.6 -0.074 62.1 -56.0 69.5-168.8 27.0 18.4 7.4 37 38 A H T 4 S+ 0 0 48 161,-0.2 -1,-0.2 1,-0.2 162,-0.1 0.642 128.9 54.0 -83.6 -14.4 29.1 21.4 6.6 38 39 A H T 4 S+ 0 0 4 -3,-0.4 157,-2.5 140,-0.1 2,-0.3 0.463 101.1 47.6-103.3 -10.3 26.9 23.8 8.5 39 40 A M B < S-H 194 0C 0 -4,-0.8 -4,-0.5 -3,-0.3 232,-0.4 -0.929 77.6-104.9-131.9 160.4 26.5 22.5 12.1 40 41 A C - 0 0 1 153,-1.1 3,-0.5 -2,-0.3 230,-0.2 -0.141 33.2-113.8 -71.9 173.5 28.6 21.1 14.9 41 42 A M S S+ 0 0 0 228,-1.3 -8,-2.1 225,-0.5 3,-0.3 0.527 102.3 68.5 -91.9 -6.3 28.8 17.4 15.8 42 43 A N >> + 0 0 24 225,-1.9 4,-2.8 -10,-0.2 3,-1.5 0.259 62.2 114.7 -99.0 17.0 27.1 17.5 19.3 43 44 A V H 3> S+ 0 0 0 -3,-0.5 4,-3.0 -10,-0.3 -1,-0.2 0.902 70.2 57.6 -47.5 -53.9 23.7 18.4 18.0 44 45 A D H 34 S+ 0 0 5 -3,-0.3 -1,-0.3 1,-0.2 74,-0.2 0.698 114.6 39.2 -59.0 -18.2 22.1 15.1 19.1 45 46 A V H <> S+ 0 0 8 -3,-1.5 4,-1.6 -14,-0.4 -1,-0.2 0.833 116.4 48.5 -96.9 -42.6 23.2 15.7 22.6 46 47 A L H X S+ 0 0 31 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.934 109.0 52.1 -62.6 -50.2 22.5 19.5 22.8 47 48 A L H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.959 113.6 40.3 -56.0 -57.9 19.0 19.3 21.4 48 49 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.785 115.3 54.4 -65.1 -23.2 17.6 16.7 23.7 49 50 A T H X S+ 0 0 28 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.889 109.8 46.9 -73.8 -40.0 19.4 18.3 26.6 50 51 A A H X S+ 0 0 1 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.929 112.7 48.3 -65.7 -48.0 17.9 21.7 25.8 51 52 A V H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.940 112.6 49.6 -59.6 -39.4 14.4 20.2 25.5 52 53 A C H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.894 107.9 53.5 -63.5 -46.7 14.9 18.3 28.8 53 54 A Q H X S+ 0 0 50 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.925 113.2 42.4 -55.2 -49.1 16.1 21.4 30.6 54 55 A R H X S+ 0 0 88 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.873 115.0 49.0 -67.6 -41.8 13.0 23.4 29.6 55 56 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 3,-0.5 0.951 112.0 50.0 -61.8 -45.6 10.6 20.6 30.2 56 57 A A H X>S+ 0 0 0 -4,-3.1 5,-1.8 1,-0.3 4,-1.6 0.820 107.3 54.1 -60.2 -38.9 12.1 20.0 33.7 57 58 A E H <5S+ 0 0 112 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.803 111.6 46.2 -65.4 -34.5 11.8 23.7 34.5 58 59 A R H <5S+ 0 0 110 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.811 124.9 28.7 -78.7 -36.2 8.1 23.5 33.6 59 60 A I H <5S- 0 0 61 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.391 108.4-110.8-108.2 0.8 7.3 20.4 35.6 60 61 A G T <5 + 0 0 45 -4,-1.6 -36,-0.3 -5,-0.2 -3,-0.2 0.866 65.9 146.2 73.0 39.8 9.9 20.5 38.3 61 62 A A < - 0 0 2 -5,-1.8 2,-0.3 -9,-0.1 -1,-0.2 -0.599 44.6-119.5-105.3 168.6 12.0 17.6 37.1 62 63 A L E - b 0 25A 0 -38,-2.5 -36,-2.1 -2,-0.2 2,-0.5 -0.829 17.6-145.9-108.8 144.2 15.7 16.8 37.3 63 64 A V E -ab 5 26A 0 -59,-3.5 -57,-2.3 -2,-0.3 -56,-0.6 -0.936 10.3-144.8-113.3 129.4 18.0 16.3 34.3 64 65 A L - 0 0 2 -38,-3.1 2,-0.2 -2,-0.5 3,-0.0 -0.354 41.5 -78.7 -78.3 162.7 21.0 13.9 34.3 65 66 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.537 63.1-113.5 -61.7 127.7 24.3 14.4 32.5 66 67 A G - 0 0 5 -2,-0.2 2,-0.7 -39,-0.1 -37,-0.2 -0.307 20.9-105.8 -69.1 151.0 23.5 13.4 28.8 67 68 A L B -d 29 0A 10 -39,-3.1 -37,-2.7 1,-0.2 -1,-0.1 -0.704 34.6-169.6 -77.6 113.0 24.9 10.4 27.0 68 69 A Q + 0 0 38 -2,-0.7 2,-0.5 258,-0.2 -1,-0.2 0.736 66.5 54.2 -74.5 -33.1 27.4 12.0 24.6 69 70 A Y + 0 0 10 -38,-0.2 -38,-0.2 17,-0.1 2,-0.2 -0.934 68.4 176.4-112.5 133.3 28.2 9.0 22.5 70 71 A G - 0 0 0 -2,-0.5 19,-2.7 17,-0.4 -39,-0.1 -0.485 36.5 -54.1-120.0-170.3 25.5 6.9 20.8 71 72 A Y B S-i 89 0D 0 17,-0.2 -1,-0.2 -41,-0.2 50,-0.2 -0.200 74.3 -70.3 -68.2 157.7 25.2 4.0 18.5 72 73 A K - 0 0 8 17,-0.7 2,-0.2 1,-0.1 -1,-0.2 -0.170 55.7-108.8 -48.6 133.8 26.8 3.7 15.2 73 74 A S - 0 0 3 -3,-0.1 8,-1.0 5,-0.1 2,-0.4 -0.459 31.8-143.8 -68.4 135.4 25.4 6.1 12.6 74 75 A Q >>> - 0 0 22 6,-0.3 4,-3.4 -2,-0.2 3,-1.8 -0.841 14.5-124.4-104.0 142.4 23.4 4.4 9.9 75 76 A Q H 3>5S+ 0 0 10 -2,-0.4 4,-1.3 4,-0.3 -1,-0.1 0.901 107.3 49.2 -48.8 -52.2 23.4 5.5 6.2 76 77 A K H 345S+ 0 0 53 1,-0.2 -1,-0.3 2,-0.2 131,-0.1 0.436 126.8 22.0 -75.5 1.0 19.7 5.9 6.0 77 78 A S H <45S+ 0 0 15 -3,-1.8 -1,-0.2 98,-0.1 -2,-0.2 0.577 139.1 15.0-138.9 -18.2 19.2 7.9 9.1 78 79 A G H <5S- 0 0 0 -4,-3.4 -3,-0.2 147,-0.1 -2,-0.2 0.329 101.1-102.8-140.9 4.7 22.5 9.6 10.0 79 80 A G S < - 0 0 0 -6,-0.4 3,-1.0 1,-0.1 -6,-0.3 -0.219 34.1 -99.9 128.4 152.7 26.9 6.5 8.0 81 82 A N T 3 S+ 0 0 24 -8,-1.0 7,-0.1 1,-0.2 -1,-0.1 0.327 103.6 82.7 -87.0 10.2 29.6 5.7 10.5 82 83 A H T 3 S+ 0 0 55 -3,-0.1 -1,-0.2 -9,-0.1 -2,-0.1 0.627 70.7 102.9 -87.8 -12.8 32.4 6.0 7.8 83 84 A F S < S- 0 0 14 -3,-1.0 3,-0.2 1,-0.1 -49,-0.1 -0.377 78.1-115.2 -69.9 143.8 32.4 9.8 8.3 84 85 A P S S+ 0 0 24 0, 0.0 2,-0.8 0, 0.0 -50,-0.1 -0.425 95.3 28.8 -70.7 154.9 35.1 11.4 10.4 85 86 A G S S+ 0 0 0 1,-0.3 2,-0.2 279,-0.1 283,-0.0 -0.258 86.7 109.2 90.5 -49.7 34.2 13.0 13.6 86 87 A T - 0 0 0 -2,-0.8 2,-0.5 -3,-0.2 -53,-0.3 -0.474 52.8-167.2 -63.9 126.2 31.2 10.9 14.4 87 88 A T B -G 32 0B 1 -55,-2.6 -55,-0.6 -2,-0.2 -17,-0.4 -0.958 9.7-172.6-125.4 107.5 32.4 8.7 17.3 88 89 A S - 0 0 5 -2,-0.5 2,-0.3 272,-0.2 -17,-0.2 -0.711 17.5-136.4-111.7 153.7 30.2 5.8 18.0 89 90 A L B -i 71 0D 6 -19,-2.7 -17,-0.7 -2,-0.3 268,-0.1 -0.687 31.1-105.1 -99.7 156.6 29.8 3.1 20.7 90 91 A D > - 0 0 18 -2,-0.3 4,-1.9 266,-0.2 3,-0.5 -0.408 38.1-107.0 -74.9 157.8 29.1 -0.6 20.1 91 92 A G H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.853 118.2 53.7 -57.0 -38.7 25.6 -1.7 20.9 92 93 A A H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.811 108.0 51.5 -68.0 -32.6 26.6 -3.5 24.1 93 94 A T H > S+ 0 0 15 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.913 111.9 44.8 -71.0 -46.7 28.3 -0.4 25.5 94 95 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.939 116.1 46.5 -62.2 -45.7 25.4 1.8 24.9 95 96 A T H X S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.887 111.9 52.9 -58.9 -44.4 22.9 -0.8 26.4 96 97 A G H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.847 106.7 51.9 -58.8 -41.9 25.3 -1.3 29.3 97 98 A T H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.896 111.1 46.1 -60.8 -49.5 25.4 2.4 30.1 98 99 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.955 113.9 49.2 -63.9 -45.3 21.6 2.7 30.2 99 100 A Q H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.880 111.3 49.3 -60.0 -44.3 21.3 -0.4 32.3 100 101 A D H X S+ 0 0 3 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.868 112.1 48.0 -64.0 -41.0 24.0 0.9 34.7 101 102 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 3,-0.3 0.963 111.3 50.0 -64.2 -49.4 22.3 4.3 35.1 102 103 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.3 -2,-0.2 0.928 109.7 51.2 -57.9 -44.3 18.9 2.8 35.7 103 104 A R H X S+ 0 0 25 -4,-2.2 4,-1.3 1,-0.2 -1,-0.3 0.835 111.9 46.9 -59.7 -40.6 20.2 0.4 38.3 104 105 A E H X S+ 0 0 18 -4,-1.5 4,-1.8 -3,-0.3 -1,-0.2 0.857 109.5 52.7 -71.8 -38.7 21.9 3.3 40.2 105 106 A L H X>S+ 0 0 0 -4,-2.7 5,-2.2 1,-0.2 4,-0.9 0.897 108.3 51.9 -61.4 -40.9 18.8 5.6 40.0 106 107 A A H ><5S+ 0 0 5 -4,-2.3 3,-0.9 -5,-0.3 -1,-0.2 0.891 106.2 53.9 -60.4 -41.2 16.8 2.8 41.5 107 108 A R H 3<5S+ 0 0 89 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.2 0.877 104.4 55.9 -62.0 -36.3 19.4 2.6 44.2 108 109 A H H 3<5S- 0 0 19 -4,-1.8 -1,-0.3 1,-0.1 -2,-0.2 0.682 124.2-103.7 -64.8 -27.2 18.9 6.3 44.9 109 110 A G T <<5S+ 0 0 37 -4,-0.9 -3,-0.2 -3,-0.9 -2,-0.1 0.292 74.6 143.2 112.1 -1.0 15.2 5.7 45.4 110 111 A V < + 0 0 3 -5,-2.2 -1,-0.4 -6,-0.2 3,-0.1 -0.441 19.1 167.9 -71.3 146.5 14.2 7.0 42.0 111 112 A R + 0 0 63 -88,-0.5 35,-3.2 1,-0.2 2,-0.5 0.219 57.7 74.0-139.4 3.0 11.3 5.2 40.4 112 113 A R E + e 0 146A 37 -89,-0.5 -87,-2.2 33,-0.2 2,-0.4 -0.971 54.9 167.7-132.2 117.0 10.5 7.7 37.6 113 114 A L E -ce 25 147A 0 33,-2.0 35,-2.8 -2,-0.5 2,-0.5 -0.992 19.2-167.2-136.1 134.3 12.7 8.1 34.5 114 115 A V E -ce 26 148A 0 -89,-2.9 -87,-2.9 -2,-0.4 2,-0.6 -0.979 11.8-160.4-114.3 123.9 12.2 9.8 31.2 115 116 A L E -ce 27 149A 0 33,-2.9 35,-1.7 -2,-0.5 2,-0.7 -0.945 5.0-162.1-105.2 124.4 14.9 8.9 28.6 116 117 A M E -ce 28 150A 0 -89,-3.3 -87,-3.0 -2,-0.6 2,-0.3 -0.906 5.5-158.0-111.0 106.6 15.0 11.5 25.9 117 118 A N E +ce 29 151A 1 33,-2.5 35,-0.9 -2,-0.7 -87,-0.2 -0.653 20.6 172.9 -82.1 135.9 16.7 10.2 22.8 118 119 A G + 0 0 1 -89,-3.2 2,-0.5 -2,-0.3 -88,-0.2 0.414 66.5 69.6-114.0 -7.6 18.2 12.7 20.3 119 120 A H S > S- 0 0 0 -90,-0.8 3,-2.5 -89,-0.1 4,-0.4 -0.942 71.5-147.6-121.0 109.1 19.9 10.1 18.0 120 121 A Y G > S+ 0 0 102 -2,-0.5 3,-1.0 1,-0.3 -1,-0.1 0.832 95.3 56.8 -39.2 -49.0 17.6 7.9 15.9 121 122 A E G 3 S+ 0 0 6 1,-0.2 4,-0.3 -50,-0.2 3,-0.3 0.628 92.9 70.1 -66.4 -14.1 20.0 4.9 16.0 122 123 A N G X> S+ 0 0 0 -3,-2.5 4,-1.6 1,-0.2 3,-0.9 0.764 71.8 93.2 -73.7 -28.2 20.0 4.7 19.8 123 124 A S H <> S+ 0 0 43 -3,-1.0 4,-2.4 -4,-0.4 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