==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-APR-97 4PGM . COMPND 2 MOLECULE: PHOSPHOGLYCERATE MUTASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR D.J.RIGDEN,D.ALEXEEV,S.E.V.PHILLIPS,L.A.FOTHERGILL-GILMORE . 941 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37094.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 624 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 6.0 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 . 4 0.4 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 . 39 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 282 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.2 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 5 4 1 4 0 4 0 0 4 0 6 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 0 PARALLEL BRIDGES PER LADDER . 12 4 0 4 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 4 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 1 A P 0 0 57 0, 0.0 214,-2.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 139.0 6.7 -9.1 1.6 2 2 A K E -A 214 0A 58 172,-0.3 174,-2.0 212,-0.2 2,-0.4 -0.991 360.0-174.8-132.6 122.3 10.2 -9.0 0.2 3 3 A L E -Ab 213 176A 0 210,-2.4 210,-2.3 -2,-0.4 2,-0.5 -0.961 5.6-164.9-118.2 136.1 13.3 -10.4 2.0 4 4 A V E -Ab 212 177A 0 172,-2.7 174,-2.8 -2,-0.4 2,-0.3 -0.980 7.2-163.8-124.2 118.0 16.9 -10.1 0.7 5 5 A L E -Ab 211 178A 3 206,-3.0 206,-3.0 -2,-0.5 2,-0.3 -0.753 5.6-174.1-100.2 147.8 19.6 -12.4 2.2 6 6 A V E - b 0 179A 1 172,-1.8 174,-1.0 -2,-0.3 2,-0.5 -0.900 11.3-153.9-145.7 112.0 23.3 -11.8 1.9 7 7 A R E - b 0 180A 48 199,-0.4 201,-2.8 202,-0.4 174,-0.2 -0.725 29.3-114.5 -86.1 131.4 25.9 -14.2 3.1 8 8 A H - 0 0 13 172,-1.3 174,-0.1 -2,-0.5 3,-0.1 -0.191 27.7-124.7 -63.5 155.1 29.2 -12.6 4.0 9 9 A G - 0 0 3 22,-0.3 22,-0.2 50,-0.2 199,-0.1 0.136 56.0 -30.6 -80.1-155.7 32.3 -13.4 1.9 10 10 A Q - 0 0 54 17,-0.1 18,-2.4 197,-0.1 21,-0.6 -0.266 52.8-153.5 -69.5 139.7 35.7 -14.7 3.2 11 11 A S B > -F 27 0B 2 16,-0.3 4,-1.9 -3,-0.1 16,-0.3 -0.551 34.4-104.9-100.2 170.2 37.1 -13.9 6.6 12 12 A E T 4 S+ 0 0 71 14,-2.0 4,-0.2 1,-0.2 15,-0.1 0.551 121.4 53.4 -74.8 -2.5 40.8 -13.9 7.5 13 13 A W T 4>S+ 0 0 42 13,-0.4 5,-3.0 2,-0.2 3,-0.3 0.826 106.2 46.8 -95.3 -41.2 40.3 -17.2 9.2 14 14 A N T >45S+ 0 0 77 1,-0.2 3,-2.2 3,-0.2 -2,-0.2 0.940 111.1 57.2 -61.2 -42.1 38.6 -19.1 6.4 15 15 A E T 3<5S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.759 110.5 42.6 -54.8 -33.3 41.5 -17.6 4.4 16 16 A K T 3 5S- 0 0 133 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 -0.009 122.8-104.4-104.6 19.4 43.9 -19.3 6.8 17 17 A N T < 5S+ 0 0 57 -3,-2.2 80,-3.0 1,-0.2 2,-0.4 0.835 73.1 141.0 60.9 43.3 42.0 -22.6 7.0 18 18 A L B < -G 96 0C 37 -5,-3.0 78,-0.2 78,-0.2 -1,-0.2 -0.879 54.7-121.6-119.9 139.0 40.4 -22.1 10.4 19 19 A F - 0 0 2 76,-2.0 76,-0.3 73,-0.4 -5,-0.0 -0.555 30.4-175.2 -70.2 145.2 36.9 -22.9 11.6 20 20 A T > + 0 0 15 -2,-0.2 3,-2.0 74,-0.1 2,-0.3 0.804 19.4 151.1-109.9 -59.3 35.2 -19.7 12.8 21 21 A G T 3 S- 0 0 2 1,-0.3 65,-0.3 67,-0.1 67,-0.2 -0.430 84.9 -10.5 65.5-118.5 31.8 -20.3 14.3 22 22 A W T 3 S+ 0 0 4 -2,-0.3 -1,-0.3 107,-0.2 2,-0.2 0.240 100.5 117.5 -97.8 5.3 31.2 -17.6 16.8 23 23 A V S < S- 0 0 23 -3,-2.0 2,-1.4 1,-0.1 106,-0.1 -0.572 72.5-123.4 -73.3 141.7 34.7 -16.1 17.0 24 24 A D + 0 0 47 -2,-0.2 -1,-0.1 33,-0.1 -2,-0.1 -0.348 44.8 172.2 -88.3 58.0 34.5 -12.5 15.8 25 25 A V - 0 0 10 -2,-1.4 34,-0.5 1,-0.1 2,-0.0 -0.314 32.3-110.7 -69.1 145.7 37.0 -12.8 13.0 26 26 A K - 0 0 64 32,-0.1 -14,-2.0 1,-0.1 -13,-0.4 -0.273 30.3-104.1 -73.3 160.2 37.5 -10.0 10.6 27 27 A L B -F 11 0B 1 -16,-0.3 -16,-0.3 -15,-0.1 2,-0.1 -0.721 37.7-124.3 -86.5 136.4 36.4 -10.0 6.9 28 28 A S >> - 0 0 4 -18,-2.4 4,-2.5 -2,-0.3 3,-1.0 -0.389 27.4-101.6 -78.6 161.8 39.3 -10.4 4.4 29 29 A A H 3> S+ 0 0 62 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.769 126.5 54.5 -53.3 -27.8 40.1 -8.0 1.6 30 30 A K H 3> S+ 0 0 124 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.851 106.8 48.7 -74.2 -37.9 38.4 -10.5 -0.7 31 31 A G H <> S+ 0 0 0 -3,-1.0 4,-2.1 -21,-0.6 -22,-0.3 0.926 106.5 57.4 -66.4 -43.8 35.2 -10.6 1.5 32 32 A Q H X S+ 0 0 59 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.847 106.9 48.9 -55.8 -33.6 35.2 -6.8 1.4 33 33 A Q H X S+ 0 0 134 -4,-1.1 4,-1.9 -5,-0.2 -1,-0.2 0.901 107.6 53.2 -74.7 -40.8 35.1 -6.9 -2.4 34 34 A E H X S+ 0 0 52 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.833 107.6 53.3 -62.5 -34.3 32.2 -9.4 -2.5 35 35 A A H X S+ 0 0 2 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.946 106.6 49.7 -67.7 -46.3 30.2 -7.1 -0.2 36 36 A A H X S+ 0 0 23 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.874 112.1 50.5 -59.3 -33.6 30.7 -4.2 -2.6 37 37 A R H X S+ 0 0 98 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.903 108.1 51.9 -69.1 -40.5 29.5 -6.5 -5.3 38 38 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.938 111.5 47.2 -61.8 -42.9 26.5 -7.5 -3.2 39 39 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.886 110.5 52.6 -65.5 -36.3 25.7 -3.8 -2.8 40 40 A E H X S+ 0 0 82 -4,-2.0 4,-3.3 -5,-0.2 -1,-0.2 0.917 109.0 48.5 -65.3 -44.0 26.2 -3.3 -6.5 41 41 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.894 108.8 54.9 -61.2 -44.0 23.7 -6.1 -7.4 42 42 A L H X>S+ 0 0 1 -4,-2.2 5,-2.9 -5,-0.2 4,-0.9 0.952 114.8 39.2 -55.0 -50.9 21.2 -4.6 -4.9 43 43 A K H ><5S+ 0 0 99 -4,-2.3 3,-0.6 3,-0.2 -2,-0.2 0.952 116.4 50.0 -66.0 -49.0 21.4 -1.3 -6.7 44 44 A E H 3<5S+ 0 0 102 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.866 116.8 39.6 -58.7 -43.2 21.6 -2.7 -10.2 45 45 A K H 3<5S- 0 0 95 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.580 113.6-115.3 -87.7 -4.7 18.6 -5.0 -9.8 46 46 A K T <<5 + 0 0 137 -4,-0.9 2,-0.9 -3,-0.6 -3,-0.2 0.883 56.5 156.6 72.7 46.0 16.6 -2.5 -7.8 47 47 A V < - 0 0 7 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.869 20.3-172.4-102.6 97.3 16.4 -4.3 -4.5 48 48 A Y - 0 0 113 -2,-0.9 127,-0.3 -3,-0.1 -5,-0.0 -0.732 9.0-154.0 -98.0 91.7 15.8 -1.5 -2.1 49 49 A P - 0 0 1 0, 0.0 127,-0.2 0, 0.0 3,-0.1 -0.246 9.9-168.8 -63.6 145.4 16.0 -2.7 1.5 50 50 A D S S+ 0 0 38 125,-3.1 2,-0.3 1,-0.3 126,-0.2 0.639 74.3 21.9-103.7 -27.5 14.0 -0.7 4.0 51 51 A V E S-c 176 0A 9 124,-1.7 126,-2.4 25,-0.2 2,-0.4 -0.969 71.0-140.7-140.7 152.7 15.4 -2.2 7.1 52 52 A L E -cd 177 78A 1 25,-2.7 27,-2.8 -2,-0.3 2,-0.4 -0.970 11.8-172.2-121.0 133.0 18.6 -4.1 7.9 53 53 A Y E +cd 178 79A 3 124,-2.9 126,-3.0 -2,-0.4 2,-0.3 -0.957 15.8 162.1-120.0 135.8 19.1 -7.2 10.1 54 54 A T E -cd 179 80A 0 25,-2.0 27,-1.8 -2,-0.4 126,-0.2 -0.887 33.7-108.7-141.3 175.8 22.5 -8.6 11.0 55 55 A S - 0 0 0 124,-0.8 27,-0.2 2,-0.3 -1,-0.1 -0.063 40.3 -98.9 -90.5-165.0 24.1 -10.9 13.6 56 56 A K S S+ 0 0 35 25,-0.3 2,-0.6 26,-0.2 255,-0.2 0.123 93.5 105.0 -99.4 12.9 26.5 -9.8 16.4 57 57 A L >> - 0 0 0 1,-0.1 4,-1.9 253,-0.1 3,-1.5 -0.877 69.7-140.5-103.9 123.2 29.4 -10.9 14.2 58 58 A S H 3> S+ 0 0 11 -2,-0.6 4,-3.8 1,-0.3 5,-0.3 0.791 97.7 62.0 -47.1 -40.1 31.5 -8.2 12.5 59 59 A R H 3> S+ 0 0 5 -34,-0.5 4,-1.4 1,-0.2 -1,-0.3 0.835 109.6 42.4 -60.5 -32.5 32.0 -9.9 9.2 60 60 A A H <> S+ 0 0 0 -3,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.909 116.3 49.3 -76.7 -42.7 28.2 -9.9 8.7 61 61 A I H X S+ 0 0 0 -4,-1.9 4,-3.1 1,-0.2 -2,-0.2 0.949 111.5 47.7 -60.3 -50.9 28.0 -6.3 10.0 62 62 A Q H X S+ 0 0 15 -4,-3.8 4,-2.1 1,-0.2 5,-0.3 0.880 107.5 57.5 -57.2 -44.0 30.9 -5.1 7.7 63 63 A T H X S+ 0 0 2 -4,-1.4 4,-3.6 -5,-0.3 3,-0.4 0.951 112.2 39.6 -53.8 -52.5 29.2 -6.8 4.7 64 64 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.917 111.7 59.3 -61.8 -45.2 26.0 -4.8 5.2 65 65 A N H X S+ 0 0 15 -4,-3.1 4,-0.6 -5,-0.2 -1,-0.2 0.830 117.5 31.5 -54.1 -32.7 28.1 -1.7 6.1 66 66 A I H X S+ 0 0 33 -4,-2.1 4,-2.0 -3,-0.4 5,-0.3 0.874 117.7 53.1 -91.9 -44.9 29.7 -2.0 2.6 67 67 A A H X S+ 0 0 0 -4,-3.6 4,-1.3 -5,-0.3 -3,-0.2 0.935 111.9 47.0 -56.4 -48.3 26.9 -3.4 0.6 68 68 A L H X>S+ 0 0 4 -4,-3.0 5,-2.2 2,-0.2 4,-0.8 0.833 106.3 57.9 -63.9 -35.8 24.6 -0.6 1.9 69 69 A E H ><5S+ 0 0 21 -4,-0.6 3,-0.6 -5,-0.4 -1,-0.2 0.935 111.8 42.2 -60.7 -42.8 27.2 2.1 1.1 70 70 A K H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.720 113.3 52.4 -74.7 -25.7 27.2 1.0 -2.6 71 71 A A H 3<5S- 0 0 10 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.552 108.2-128.6 -86.3 -7.1 23.4 0.6 -2.6 72 72 A D T <<5S+ 0 0 73 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.868 80.4 108.9 59.9 42.7 23.1 4.2 -1.3 73 73 A R > < + 0 0 17 -5,-2.2 3,-1.3 -6,-0.1 -4,-0.2 -0.147 24.5 129.5-138.0 39.7 20.8 3.0 1.5 74 74 A L T 3 + 0 0 3 -6,-0.4 -5,-0.1 1,-0.3 -1,-0.1 0.596 65.3 67.6 -74.8 -8.6 23.1 3.5 4.5 75 75 A W T 3 S+ 0 0 23 -7,-0.1 -1,-0.3 217,-0.1 3,-0.1 0.570 72.8 117.7 -84.1 -18.3 20.4 5.5 6.3 76 76 A I S < S- 0 0 0 -3,-1.3 2,-0.2 1,-0.1 -25,-0.2 -0.141 79.4 -94.6 -49.1 143.0 18.2 2.4 6.6 77 77 A P - 0 0 53 0, 0.0 -25,-2.7 0, 0.0 2,-0.5 -0.512 39.6-142.4 -66.1 137.7 17.5 1.3 10.3 78 78 A V E -d 52 0A 14 236,-0.3 236,-0.4 -2,-0.2 2,-0.4 -0.905 19.3-179.4-109.8 130.4 19.9 -1.4 11.6 79 79 A N E -d 53 0A 55 -27,-2.8 -25,-2.0 -2,-0.5 2,-0.3 -0.984 7.1-167.8-127.8 132.5 18.8 -4.2 14.0 80 80 A R E +d 54 0A 36 -2,-0.4 2,-0.3 -27,-0.2 -25,-0.2 -0.918 7.9 174.2-124.3 153.6 21.2 -6.9 15.3 81 81 A S > - 0 0 6 -27,-1.8 3,-1.8 -2,-0.3 -25,-0.3 -0.980 38.1-137.5-157.3 140.0 20.7 -10.2 17.1 82 82 A W G > S+ 0 0 5 -2,-0.3 3,-3.3 1,-0.3 -26,-0.2 0.894 102.3 75.7 -61.0 -36.6 22.8 -13.1 18.4 83 83 A R G 3 S+ 0 0 4 1,-0.3 -1,-0.3 -3,-0.1 78,-0.1 0.584 92.8 52.2 -53.0 -12.2 19.9 -15.3 17.0 84 84 A L G < S+ 0 0 2 -3,-1.8 97,-0.6 -30,-0.2 -1,-0.3 0.332 86.6 121.2-104.8 2.7 21.3 -14.6 13.5 85 85 A N S < S- 0 0 0 -3,-3.3 3,-0.1 1,-0.1 -63,-0.1 -0.291 72.1 -93.1 -65.7 154.5 24.8 -15.7 14.3 86 86 A E - 0 0 18 -65,-0.3 -1,-0.1 1,-0.2 2,-0.0 -0.074 59.1 -77.1 -60.9 159.4 26.7 -18.5 12.6 87 87 A R - 0 0 7 1,-0.1 2,-0.6 -66,-0.1 -1,-0.2 -0.378 51.2-112.0 -58.8 141.2 26.4 -22.0 14.1 88 88 A H - 0 0 3 -67,-0.2 61,-1.8 62,-0.2 -67,-0.1 -0.704 23.9-156.2 -80.7 118.6 28.7 -22.2 17.1 89 89 A Y > - 0 0 22 -2,-0.6 3,-1.6 1,-0.2 -1,-0.1 0.383 22.0-157.9 -77.7 1.9 31.5 -24.7 16.0 90 90 A G G > - 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 -0.319 67.7 -2.4 63.1-130.4 32.3 -25.6 19.6 91 91 A D G 3 S+ 0 0 53 30,-2.9 3,-0.4 1,-0.3 -1,-0.3 0.740 127.5 69.3 -67.0 -24.2 35.8 -27.0 20.2 92 92 A L G X S+ 0 0 4 -3,-1.6 3,-1.1 29,-0.3 -73,-0.4 0.531 73.6 95.9 -73.4 -4.1 36.5 -26.8 16.5 93 93 A Q T < S+ 0 0 0 -3,-1.4 2,-1.0 1,-0.3 -1,-0.2 0.925 87.0 35.4 -58.6 -57.0 36.6 -23.0 16.5 94 94 A G T 3 S+ 0 0 25 -3,-0.4 2,-0.4 -76,-0.1 -1,-0.3 -0.318 101.1 120.5 -91.4 54.2 40.3 -22.2 16.9 95 95 A K < - 0 0 50 -3,-1.1 -76,-2.0 -2,-1.0 2,-0.2 -0.971 67.2-123.7-128.5 134.3 41.1 -25.2 14.7 96 96 A D B > -G 18 0C 42 -2,-0.4 4,-1.9 -78,-0.2 -78,-0.2 -0.498 23.5-142.6 -64.5 130.8 42.9 -25.7 11.4 97 97 A K H > S+ 0 0 46 -80,-3.0 4,-1.8 1,-0.2 5,-0.2 0.958 97.2 52.2 -63.6 -51.5 40.5 -27.5 9.1 98 98 A A H > S+ 0 0 34 -81,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.812 110.3 51.6 -55.4 -32.7 43.1 -29.8 7.3 99 99 A E H > S+ 0 0 131 2,-0.2 4,-3.7 1,-0.2 3,-0.5 0.925 109.6 46.4 -72.3 -44.9 44.3 -30.9 10.8 100 100 A T H X S+ 0 0 4 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.713 107.5 59.0 -70.9 -18.6 40.8 -31.9 12.1 101 101 A L H < S+ 0 0 74 -4,-1.8 -1,-0.2 2,-0.2 5,-0.2 0.801 115.2 36.2 -75.4 -30.7 40.2 -33.7 8.8 102 102 A K H < S+ 0 0 164 -4,-0.8 -2,-0.2 -3,-0.5 -3,-0.1 0.924 116.2 51.8 -84.5 -53.6 43.2 -35.8 9.6 103 103 A K H < S+ 0 0 132 -4,-3.7 2,-0.4 -5,-0.1 -3,-0.2 0.927 119.6 37.4 -46.7 -55.7 42.7 -36.0 13.4 104 104 A F S < S- 0 0 44 -4,-1.9 2,-0.2 -5,-0.2 -1,-0.1 -0.850 88.9-131.9-101.6 132.6 39.1 -37.1 12.9 105 105 A G >> - 0 0 50 -2,-0.4 3,-3.2 1,-0.1 4,-0.6 -0.626 44.5 -83.4 -84.2 145.5 38.3 -39.5 10.0 106 106 A E H 3>>S+ 0 0 123 1,-0.3 4,-2.0 -2,-0.2 5,-0.8 0.541 126.4 69.7 -8.2 -50.6 35.4 -38.7 7.7 107 107 A E H 345S+ 0 0 173 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.890 115.0 24.6 -44.9 -49.2 33.0 -40.3 10.3 108 108 A K H <>5S+ 0 0 92 -3,-3.2 4,-2.2 3,-0.1 5,-0.2 0.919 124.6 50.7 -85.6 -45.8 33.7 -37.4 12.7 109 109 A F H X5S+ 0 0 31 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.938 112.4 42.2 -58.5 -58.3 34.7 -34.7 10.3 110 110 A N H X5S+ 0 0 87 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.858 114.8 52.4 -60.9 -35.5 31.9 -34.8 7.8 111 111 A T H > - 0 0 103 -2,-0.3 3,-1.0 1,-0.1 5,-0.2 -0.453 14.2-120.7 -77.8 151.9 35.6 -25.0 27.2 125 125 A A T 3 S+ 0 0 53 1,-0.2 5,-0.2 -2,-0.1 -1,-0.1 0.705 111.0 62.9 -61.1 -23.5 35.4 -21.6 28.9 126 126 A S T 3 S+ 0 0 103 3,-0.1 -1,-0.2 2,-0.0 4,-0.0 0.807 80.6 102.3 -71.8 -34.2 39.2 -21.6 29.3 127 127 A S S X S- 0 0 24 -3,-1.0 3,-1.3 1,-0.2 -4,-0.0 -0.168 76.9-132.2 -52.8 141.0 39.8 -21.7 25.6 128 128 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.368 107.0 59.5 -78.9 9.8 40.8 -18.4 24.0 129 129 A F T 3 S+ 0 0 65 -5,-0.2 2,-0.3 -106,-0.1 -107,-0.2 0.120 81.6 103.8-120.9 16.4 38.1 -19.2 21.3 130 130 A S < - 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