==== 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 28-SEP-07 2RF8 . COMPND 2 MOLECULE: CHOLOYLGLYCINE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR M.ROSSMANN,W.SAENGER . 657 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 174 26.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 . 79 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 3 3 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 0 2 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 . 4 2 6 6 4 6 0 4 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 . 4 4 0 0 0 2 2 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 A 0 0 9 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 129.3 -19.9 -28.9 -25.6 2 3 A T E -A 18 0A 0 16,-1.1 16,-3.0 171,-0.0 2,-0.4 -0.987 360.0-158.2-126.4 134.0 -22.9 -26.5 -25.4 3 4 A G E -AB 17 172A 0 169,-4.1 169,-1.9 -2,-0.4 2,-0.4 -0.914 12.2-172.6-112.8 141.0 -23.0 -23.1 -23.7 4 5 A L E -AB 16 171A 0 12,-1.9 12,-2.2 -2,-0.4 2,-0.4 -0.992 13.9-169.0-139.0 138.2 -26.2 -21.3 -22.5 5 6 A A E +A 15 0A 7 165,-2.2 2,-0.3 -2,-0.4 10,-0.2 -0.988 19.9 169.2-125.0 137.7 -27.2 -17.9 -21.1 6 7 A L E -A 14 0A 6 8,-2.9 8,-3.0 -2,-0.4 2,-0.5 -0.971 28.5-138.2-148.7 154.2 -30.6 -17.2 -19.7 7 8 A E E -A 13 0A 97 -2,-0.3 6,-0.2 6,-0.2 239,-0.1 -0.981 25.8-136.5-121.5 123.8 -32.7 -14.7 -17.7 8 9 A T > - 0 0 12 4,-2.6 3,-0.9 -2,-0.5 239,-0.2 0.011 29.8-100.0 -68.6 175.5 -35.1 -15.9 -14.9 9 10 A K T 3 S+ 0 0 100 237,-2.4 238,-0.1 1,-0.2 -1,-0.1 0.704 121.3 49.7 -69.3 -19.9 -38.6 -14.6 -14.3 10 11 A D T 3 S- 0 0 93 236,-0.3 -1,-0.2 2,-0.1 -2,-0.1 -0.215 124.2 -91.2-118.4 41.4 -37.3 -12.4 -11.5 11 12 A G S < S+ 0 0 38 -3,-0.9 -2,-0.1 1,-0.2 0, 0.0 0.136 81.7 131.5 84.2 -20.5 -34.3 -10.6 -13.1 12 13 A L - 0 0 45 -5,-0.1 -4,-2.6 1,-0.1 2,-0.5 -0.245 50.3-130.6 -70.6 155.7 -31.5 -13.1 -12.3 13 14 A H E -A 7 0A 19 -6,-0.2 270,-2.1 2,-0.0 2,-0.5 -0.931 14.4-162.3-116.1 125.8 -29.0 -14.4 -14.9 14 15 A L E +AC 6 282A 6 -8,-3.0 -8,-2.9 -2,-0.5 2,-0.4 -0.910 13.1 171.9-107.8 128.1 -28.1 -18.0 -15.4 15 16 A F E +AC 5 281A 1 266,-1.9 266,-2.8 -2,-0.5 2,-0.2 -0.994 19.5 118.4-138.0 128.1 -25.0 -19.0 -17.4 16 17 A G E -AC 4 280A 0 -12,-2.2 -12,-1.9 -2,-0.4 2,-0.3 -0.794 35.7-126.6-162.6-158.2 -23.6 -22.5 -17.7 17 18 A R E -AC 3 279A 3 262,-1.5 262,-1.9 -14,-0.2 2,-0.5 -0.993 16.3-116.9-163.5 160.8 -22.6 -25.4 -20.0 18 19 A N E -AC 2 278A 0 -16,-3.0 -16,-1.1 -2,-0.3 2,-0.7 -0.961 27.5-149.1-102.9 126.3 -22.7 -29.0 -21.1 19 20 A M E - C 0 277A 19 258,-2.6 257,-1.8 -2,-0.5 258,-0.8 -0.881 14.7-171.2 -97.1 113.4 -19.3 -30.8 -21.0 20 21 A D E + C 0 275A 15 -2,-0.7 2,-0.3 255,-0.3 255,-0.2 -0.859 25.8 134.3-111.4 98.8 -19.3 -33.4 -23.7 21 22 A I E - C 0 274A 15 253,-1.7 253,-1.7 -2,-0.7 255,-0.1 -0.961 54.6-135.9-142.8 157.6 -16.2 -35.7 -23.5 22 23 A E S S+ 0 0 59 -2,-0.3 2,-0.2 251,-0.2 250,-0.2 0.305 87.8 37.8 -94.6 8.0 -15.4 -39.4 -23.7 23 24 A Y S S- 0 0 120 251,-0.1 2,-0.3 248,-0.1 -2,-0.1 -0.776 82.4 -99.3-143.8 178.8 -13.1 -39.3 -20.7 24 25 A S - 0 0 89 -2,-0.2 -2,-0.1 1,-0.0 0, 0.0 -0.863 15.9-163.7-105.3 148.3 -12.5 -37.8 -17.2 25 26 A F - 0 0 50 -2,-0.3 -1,-0.0 32,-0.1 -2,-0.0 -0.117 52.8-100.2-121.6 37.6 -10.1 -34.9 -16.6 26 27 A N - 0 0 131 1,-0.2 33,-0.3 32,-0.1 2,-0.1 0.839 64.8-178.4 50.8 39.4 -9.7 -35.2 -12.8 27 28 A Q + 0 0 13 31,-0.1 291,-0.4 29,-0.1 2,-0.3 -0.337 16.0 161.9 -76.4 147.4 -12.2 -32.4 -12.4 28 29 A S E -G 57 0B 23 29,-2.8 29,-2.1 289,-0.1 2,-0.4 -0.967 46.6 -92.7-152.3 159.0 -13.4 -30.9 -9.2 29 30 A I E -GH 56 316B 0 287,-1.6 287,-1.9 -2,-0.3 2,-0.5 -0.631 46.5-156.8 -73.1 129.3 -15.2 -27.7 -8.1 30 31 A I E -GH 55 315B 0 25,-3.8 25,-1.9 -2,-0.4 2,-0.5 -0.952 11.0-164.6-119.4 127.8 -12.5 -25.1 -7.2 31 32 A F E -GH 54 314B 5 283,-3.3 283,-1.7 -2,-0.5 23,-0.2 -0.936 5.3-175.6-109.7 131.1 -12.8 -22.1 -4.9 32 33 A I E -G 53 0B 0 21,-3.1 21,-2.5 -2,-0.5 281,-0.1 -0.994 15.6-143.7-124.8 124.3 -10.3 -19.3 -4.9 33 34 A P - 0 0 0 0, 0.0 3,-0.3 0, 0.0 276,-0.2 -0.219 37.9 -70.7 -77.4 174.0 -10.6 -16.4 -2.4 34 35 A R S S+ 0 0 78 274,-3.5 16,-0.2 1,-0.2 17,-0.1 -0.281 112.8 16.7 -61.6 149.8 -9.7 -12.7 -3.0 35 36 A N S S+ 0 0 131 14,-1.2 2,-0.5 1,-0.2 -1,-0.2 0.929 81.8 160.5 50.8 58.8 -6.0 -11.7 -3.3 36 37 A F - 0 0 43 -3,-0.3 13,-2.0 13,-0.2 2,-0.3 -0.949 32.5-140.9-116.6 118.9 -4.6 -15.2 -4.0 37 38 A K E -N 48 0C 120 -2,-0.5 2,-0.5 11,-0.2 11,-0.3 -0.594 15.1-165.5 -79.8 130.4 -1.2 -15.6 -5.6 38 39 A C E -N 47 0C 4 9,-2.7 9,-1.7 -2,-0.3 2,-0.5 -0.980 2.8-170.0-119.9 122.8 -0.8 -18.4 -8.1 39 40 A V E -N 46 0C 59 -2,-0.5 2,-0.5 7,-0.2 7,-0.2 -0.955 15.6-144.2-117.8 118.8 2.7 -19.5 -9.3 40 41 A N > - 0 0 2 5,-2.4 4,-1.3 -2,-0.5 5,-0.2 -0.699 7.6-156.9 -76.7 121.5 3.2 -21.9 -12.2 41 42 A K T 4 S+ 0 0 119 -2,-0.5 -1,-0.2 20,-0.3 92,-0.1 0.866 86.9 55.6 -68.2 -37.9 6.2 -24.1 -11.4 42 43 A S T 4 S+ 0 0 28 90,-0.4 -1,-0.2 1,-0.2 91,-0.1 0.924 127.8 11.7 -62.2 -51.4 6.9 -24.9 -15.0 43 44 A N T 4 S- 0 0 42 89,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.238 94.0-123.1-118.7 11.2 7.3 -21.4 -16.4 44 45 A K < + 0 0 167 -4,-1.3 2,-0.2 1,-0.2 -3,-0.1 0.603 54.7 157.7 59.1 16.8 7.4 -19.3 -13.2 45 46 A K - 0 0 62 -5,-0.2 -5,-2.4 -6,-0.0 2,-0.3 -0.480 27.1-147.1 -76.3 142.0 4.4 -17.2 -14.3 46 47 A E E +N 39 0C 124 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.833 20.9 173.8-117.5 148.6 2.5 -15.3 -11.6 47 48 A L E -N 38 0C 17 -9,-1.7 -9,-2.7 -2,-0.3 2,-0.5 -0.902 9.3-167.5-153.0 120.3 -1.2 -14.3 -11.1 48 49 A T E -N 37 0C 54 -2,-0.3 -11,-0.2 -11,-0.3 2,-0.1 -0.954 28.4-124.0-110.8 121.0 -2.8 -12.8 -8.0 49 50 A T - 0 0 2 -13,-2.0 -14,-1.2 -2,-0.5 -13,-0.2 -0.360 20.3-171.3 -65.5 133.4 -6.6 -12.8 -8.0 50 51 A K S S+ 0 0 121 60,-1.8 2,-0.3 1,-0.2 61,-0.2 0.742 79.7 34.0 -89.0 -31.8 -8.4 -9.4 -7.6 51 52 A Y S S- 0 0 28 59,-1.3 -1,-0.2 -17,-0.1 2,-0.2 -0.901 93.5-100.9-123.6 152.7 -11.7 -11.2 -7.2 52 53 A A - 0 0 0 -2,-0.3 20,-1.3 -3,-0.1 2,-0.4 -0.469 39.6-150.3 -69.8 141.3 -12.8 -14.5 -5.7 53 54 A V E +GI 32 71B 0 -21,-2.5 -21,-3.1 18,-0.2 2,-0.3 -0.905 18.0 179.6-120.2 142.5 -13.3 -17.3 -8.2 54 55 A L E +GI 31 70B 0 16,-3.2 16,-3.4 -2,-0.4 2,-0.3 -0.963 30.7 101.9-140.7 125.8 -15.6 -20.4 -8.2 55 56 A G E -GI 30 69B 0 -25,-1.9 -25,-3.8 -2,-0.3 2,-0.3 -0.986 63.4 -63.3-177.6-177.7 -15.9 -23.0 -10.9 56 57 A M E +GI 29 68B 0 12,-2.3 11,-2.8 -2,-0.3 12,-1.5 -0.691 68.5 98.7 -89.5 139.1 -15.1 -26.4 -12.4 57 58 A G E -GI 28 66B 1 -29,-2.1 -29,-2.8 -2,-0.3 2,-0.3 -0.958 55.1 -95.9 178.2-159.7 -11.5 -27.4 -13.2 58 59 A T E - I 0 65B 21 7,-2.2 7,-2.6 -2,-0.3 2,-0.4 -0.903 24.0-121.9-142.7 168.6 -8.4 -29.3 -12.1 59 60 A I E - I 0 64B 69 -33,-0.3 2,-0.5 -2,-0.3 3,-0.1 -0.969 16.9-173.9-125.4 125.0 -5.0 -28.6 -10.4 60 61 A F E > S- I 0 63B 73 3,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.972 78.7 -20.7-116.2 120.8 -1.5 -29.2 -11.7 61 62 A D T 3 S- 0 0 89 -2,-0.5 -20,-0.3 1,-0.3 -1,-0.2 0.916 129.0 -50.1 46.2 52.3 1.5 -28.6 -9.3 62 63 A D T 3 S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 -23,-0.2 0.528 114.3 123.8 64.7 10.0 -0.7 -26.4 -7.1 63 64 A Y E < -I 60 0B 3 -3,-2.1 -3,-2.6 -25,-0.1 2,-0.4 -0.893 54.9-140.1-105.0 122.3 -1.9 -24.4 -10.1 64 65 A P E -I 59 0B 3 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.637 18.9-177.7 -84.4 130.6 -5.6 -24.1 -10.9 65 66 A T E -I 58 0B 26 -7,-2.6 -7,-2.2 -2,-0.4 2,-0.3 -0.989 15.6-143.8-125.9 137.9 -7.0 -24.3 -14.4 66 67 A F E -I 57 0B 15 36,-0.5 -9,-0.3 -2,-0.4 39,-0.2 -0.774 27.1-172.8-112.0 145.4 -10.7 -24.0 -15.2 67 68 A A E S- 0 0 14 -11,-2.8 12,-3.0 1,-0.5 2,-0.3 0.746 87.4 -18.7 -93.4 -36.4 -13.1 -25.5 -17.7 68 69 A D E S+IJ 56 78B 0 -12,-1.5 -12,-2.3 10,-0.2 -1,-0.5 -0.929 78.0 135.9-165.2 152.2 -15.9 -23.0 -16.6 69 70 A G E -IJ 55 77B 0 8,-2.5 8,-2.7 -14,-0.3 -14,-0.3 -0.986 31.4-123.2-177.7-178.6 -16.5 -20.8 -13.6 70 71 A M E -IJ 54 76B 0 -16,-3.4 -16,-3.2 -2,-0.3 6,-0.2 -0.932 15.2-134.1-140.3 162.9 -17.6 -17.4 -12.2 71 72 A N E > -I 53 0B 0 4,-2.2 3,-1.1 -2,-0.3 -18,-0.2 -0.564 36.5 -96.1-109.5-178.0 -16.3 -14.7 -9.9 72 73 A E T 3 S+ 0 0 44 -20,-1.3 -19,-0.1 1,-0.2 41,-0.1 0.694 117.8 60.9 -71.1 -21.8 -17.9 -12.7 -7.0 73 74 A K T 3 S- 0 0 101 -21,-0.2 75,-0.3 39,-0.2 -1,-0.2 0.479 121.7 -99.8 -87.2 -3.4 -18.9 -9.8 -9.2 74 75 A G S < S+ 0 0 0 -3,-1.1 2,-0.5 1,-0.3 -2,-0.1 0.636 74.9 141.1 94.7 17.6 -21.2 -11.9 -11.3 75 76 A L - 0 0 0 72,-0.2 -4,-2.2 37,-0.2 2,-0.4 -0.804 30.0-167.3 -91.8 131.4 -18.9 -12.5 -14.3 76 77 A G E -JK 70 146B 0 70,-3.4 70,-2.3 -2,-0.5 2,-0.3 -0.925 8.3-175.6-122.1 146.2 -19.0 -16.0 -15.8 77 78 A C E -JK 69 145B 0 -8,-2.7 -8,-2.5 -2,-0.4 2,-0.4 -0.999 3.6-170.1-142.8 136.8 -16.7 -17.7 -18.4 78 79 A A E -JK 68 144B 0 66,-2.4 66,-2.1 -2,-0.3 2,-0.7 -0.995 13.2-147.0-130.9 133.5 -16.9 -21.1 -20.1 79 80 A G E - K 0 143B 7 -12,-3.0 2,-0.3 -2,-0.4 64,-0.2 -0.868 22.8-178.7-105.0 108.7 -14.2 -22.8 -22.2 80 81 A L E - K 0 142B 0 62,-2.6 62,-2.7 -2,-0.7 93,-0.1 -0.718 34.1 -89.1-108.8 155.0 -15.5 -24.9 -25.0 81 82 A N E - K 0 141B 70 -2,-0.3 60,-0.3 60,-0.2 94,-0.3 -0.301 33.8-178.0 -65.5 140.8 -13.7 -27.1 -27.6 82 83 A F > - 0 0 0 58,-2.6 4,-0.7 92,-0.2 59,-0.2 -0.541 8.9-177.5-141.3 69.6 -12.7 -25.4 -30.9 83 84 A P T 4 - 0 0 36 0, 0.0 -1,-0.1 0, 0.0 457,-0.1 0.762 64.7 -0.9 -44.3 -65.8 -11.0 -28.2 -33.1 84 85 A V T 4 S+ 0 0 79 455,-0.2 455,-0.0 1,-0.1 -2,-0.0 0.768 119.6 59.0-109.8 -30.7 -9.7 -26.8 -36.4 85 86 A Y T 4 S+ 0 0 111 73,-0.0 74,-0.2 55,-0.0 -1,-0.1 0.505 82.3 103.6 -84.9 -4.6 -10.4 -23.1 -36.9 86 87 A V < - 0 0 23 -4,-0.7 2,-0.3 72,-0.1 72,-0.2 -0.388 49.5-170.1 -75.2 155.0 -8.4 -22.0 -33.7 87 88 A S - 0 0 31 70,-1.7 2,-0.3 71,-0.1 40,-0.2 -0.831 5.4-178.2-153.4 110.0 -4.9 -20.5 -34.0 88 89 A Y - 0 0 33 -2,-0.3 2,-0.3 38,-0.1 40,-0.2 -0.829 29.1-120.4-104.2 146.5 -2.5 -19.8 -31.2 89 90 A S B -o 128 0D 18 38,-1.5 40,-3.4 -2,-0.3 4,-0.1 -0.688 14.8-140.4 -80.9 138.4 0.9 -18.2 -31.5 90 91 A K S S+ 0 0 160 -2,-0.3 2,-0.3 38,-0.2 -1,-0.1 0.766 84.5 27.9 -70.9 -26.9 3.8 -20.5 -30.4 91 92 A E S S- 0 0 110 1,-0.1 38,-0.1 39,-0.0 -2,-0.1 -0.821 99.4 -77.5-128.9 168.2 5.6 -17.5 -28.7 92 93 A D - 0 0 88 -2,-0.3 2,-0.5 36,-0.1 -1,-0.1 -0.237 37.7-136.4 -62.6 152.2 4.7 -14.2 -27.2 93 94 A I - 0 0 69 3,-0.1 3,-0.5 33,-0.1 5,-0.2 -0.975 24.5-115.4-115.2 125.2 3.8 -11.2 -29.4 94 95 A E S S+ 0 0 192 -2,-0.5 2,-0.8 1,-0.2 3,-0.1 -0.223 94.8 15.0 -60.0 142.3 5.3 -7.8 -28.5 95 96 A G S S+ 0 0 62 1,-0.2 -1,-0.2 3,-0.0 2,-0.0 -0.307 104.8 101.0 90.2 -48.7 2.9 -5.0 -27.4 96 97 A K S S- 0 0 92 -2,-0.8 2,-1.3 -3,-0.5 29,-0.3 -0.312 84.1-112.0 -70.8 148.5 0.0 -7.4 -26.9 97 98 A T E -p 125 0D 65 27,-3.6 29,-1.8 24,-0.2 2,-0.3 -0.706 41.9-148.2 -79.0 93.7 -1.1 -8.7 -23.5 98 99 A N E -p 126 0D 37 -2,-1.3 29,-0.2 27,-0.2 -6,-0.1 -0.515 16.5-171.5 -76.1 127.1 -0.1 -12.3 -24.0 99 100 A I E -p 127 0D 2 27,-3.1 29,-2.2 -2,-0.3 5,-0.1 -0.975 22.2-125.7-123.8 123.1 -2.2 -15.0 -22.3 100 101 A P E >> -p 128 0D 10 0, 0.0 3,-1.4 0, 0.0 4,-0.8 -0.433 24.7-122.7 -65.5 140.3 -1.4 -18.7 -22.0 101 102 A V G >4 S+ 0 0 2 27,-1.5 3,-1.0 1,-0.3 4,-0.4 0.880 110.1 49.6 -52.2 -50.2 -4.2 -21.0 -23.3 102 103 A Y G 34 S+ 0 0 17 28,-0.5 -36,-0.5 1,-0.2 -1,-0.3 0.707 115.3 46.4 -61.4 -22.1 -4.7 -22.9 -20.0 103 104 A N G <> S+ 0 0 12 -3,-1.4 4,-2.4 1,-0.1 -1,-0.2 0.480 82.1 93.9-104.4 -5.7 -4.8 -19.7 -18.1 104 105 A F H S+ 0 0 3 -4,-0.4 4,-1.9 -39,-0.2 -1,-0.2 0.926 113.3 44.0 -60.9 -48.8 -10.4 -18.5 -18.2 106 107 A L H > S+ 0 0 0 -4,-0.3 4,-3.0 1,-0.2 5,-0.3 0.873 109.6 58.0 -62.4 -40.2 -8.8 -17.6 -14.8 107 108 A W H X S+ 0 0 33 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.847 108.4 46.1 -59.2 -38.4 -7.4 -14.4 -16.3 108 109 A V H X S+ 0 0 0 -4,-1.8 4,-1.4 -3,-0.2 -1,-0.2 0.934 118.8 40.4 -68.0 -47.5 -10.9 -13.3 -17.3 109 110 A L H < S+ 0 0 0 -4,-1.9 -2,-0.2 1,-0.2 -37,-0.2 0.804 115.7 48.1 -75.8 -33.5 -12.4 -14.2 -13.9 110 111 A A H < S+ 0 0 0 -4,-3.0 -60,-1.8 -5,-0.2 -59,-1.3 0.822 119.5 34.4 -77.6 -32.6 -9.6 -13.0 -11.6 111 112 A N H < S+ 0 0 49 -4,-1.1 2,-0.3 -5,-0.3 -2,-0.2 0.735 109.9 53.5 -98.4 -26.9 -9.1 -9.6 -13.1 112 113 A F < - 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