==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, ISOMERASE 03-MAR-04 1SJC . COMPND 2 MOLECULE: N-ACYLAMINO ACID RACEMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AMYCOLATOPSIS SP.; . AUTHOR J.B.THODEN,E.A.TAYLOR-RINGIA,J.B.GARRETT,J.A.GERLT, . 1470 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1025 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 10.2 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 . 16 1.1 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 . 1 0.1 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 . 99 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 404 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 37 2.5 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 8 4 4 5 3 12 4 0 3 5 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 16 12 5 6 1 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 . 9 0 4 0 2 3 3 0 0 1 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 3 4 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 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 M 0 0 56 0, 0.0 80,-1.3 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-176.5 -0.8 51.0 36.4 2 2 A K - 0 0 114 78,-0.2 2,-0.6 0, 0.0 38,-0.2 -0.986 360.0-127.8-141.7 122.7 -2.0 47.5 35.9 3 3 A L + 0 0 13 75,-0.4 35,-0.2 -2,-0.4 3,-0.1 -0.687 25.9 177.3 -80.1 124.1 -0.1 44.7 37.2 4 4 A S - 0 0 36 33,-3.2 2,-0.3 -2,-0.6 34,-0.2 0.761 58.7 -64.5 -90.8 -34.9 0.6 42.1 34.5 5 5 A G E -A 37 0A 0 32,-0.9 32,-3.0 362,-0.1 -1,-0.4 -0.968 41.7-110.4 166.4-179.0 2.7 39.7 36.7 6 6 A V E -AB 36 366A 0 360,-2.3 360,-2.6 -2,-0.3 2,-0.7 -0.991 14.5-145.2-145.6 135.2 5.8 39.3 38.6 7 7 A E E -AB 35 365A 22 28,-1.5 28,-1.7 -2,-0.4 2,-0.5 -0.908 14.7-155.9-107.1 115.7 8.8 37.2 38.0 8 8 A L E -AB 34 364A 5 356,-2.3 356,-1.1 -2,-0.7 2,-0.4 -0.729 14.4-176.9 -91.7 127.6 10.5 35.8 41.0 9 9 A R E -AB 33 363A 14 24,-2.3 24,-1.9 -2,-0.5 2,-0.5 -0.918 20.1-143.0-122.1 149.7 14.1 34.9 40.8 10 10 A R E -AB 32 362A 104 352,-2.5 351,-2.8 -2,-0.4 352,-0.9 -0.928 23.3-169.7-109.9 134.2 16.5 33.3 43.2 11 11 A V E -AB 31 360A 2 20,-2.6 20,-3.0 -2,-0.5 2,-0.5 -0.967 12.3-162.7-126.1 142.3 20.0 34.6 43.0 12 12 A Q E +A 30 0A 84 347,-2.9 18,-0.2 -2,-0.4 -2,-0.0 -0.981 10.6 179.8-123.1 129.7 23.1 33.4 44.6 13 13 A M E -A 29 0A 3 16,-1.8 16,-2.2 -2,-0.5 2,-0.1 -0.967 22.7-133.0-133.4 118.3 26.1 35.7 44.9 14 14 A P E -A 28 0A 85 0, 0.0 311,-0.4 0, 0.0 14,-0.3 -0.405 24.5-120.0 -71.3 143.3 29.4 34.7 46.5 15 15 A L - 0 0 19 12,-3.3 309,-0.2 1,-0.1 308,-0.1 -0.589 5.6-136.4 -82.3 147.0 31.0 37.0 49.0 16 16 A V S S+ 0 0 83 307,-2.1 -1,-0.1 1,-0.3 307,-0.1 0.854 95.1 7.6 -65.2 -37.4 34.4 38.4 48.3 17 17 A A S S- 0 0 45 306,-0.2 -1,-0.3 305,-0.1 9,-0.0 -0.983 95.1 -91.8-149.9 133.6 35.1 37.7 52.0 18 18 A P - 0 0 88 0, 0.0 2,-0.7 0, 0.0 9,-0.3 -0.194 38.2-141.6 -49.0 132.7 33.1 35.8 54.7 19 19 A F - 0 0 12 7,-4.1 2,-0.5 9,-0.1 9,-0.1 -0.884 16.2-164.9-108.8 105.9 30.9 38.1 56.6 20 20 A R + 0 0 71 -2,-0.7 118,-2.5 118,-0.3 5,-0.3 -0.819 14.6 163.6-100.6 124.0 30.7 37.4 60.3 21 21 A T B > -D 24 0B 3 3,-3.7 3,-1.9 -2,-0.5 144,-0.1 -0.616 58.2 -90.2-119.3 177.5 28.0 38.9 62.6 22 22 A S T 3 S+ 0 0 32 1,-0.3 3,-0.1 142,-0.3 168,-0.0 0.662 130.1 54.8 -65.5 -12.2 26.9 37.8 66.1 23 23 A F T 3 S- 0 0 59 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.414 123.3 -81.4 -99.6 -1.2 24.4 35.7 64.3 24 24 A G B < -D 21 0B 30 -3,-1.9 -3,-3.7 2,-0.0 -1,-0.3 -0.799 49.2 -57.0 133.9-177.3 27.0 33.9 62.2 25 25 A T - 0 0 88 -5,-0.3 2,-0.4 -2,-0.3 -5,-0.2 -0.711 36.7-164.0-105.5 154.6 29.3 33.9 59.3 26 26 A Q + 0 0 28 -2,-0.3 -7,-4.1 1,-0.1 -9,-0.1 -0.932 22.7 165.7-150.1 120.6 28.4 34.2 55.7 27 27 A S S S+ 0 0 62 -2,-0.4 -12,-3.3 -9,-0.3 2,-0.3 0.624 73.8 37.8-103.7 -25.7 30.4 33.5 52.6 28 28 A V E -A 14 0A 53 -14,-0.3 2,-0.5 -9,-0.1 -9,-0.1 -0.866 68.5-137.3-128.3 163.0 27.6 33.6 50.1 29 29 A R E -A 13 0A 0 -16,-2.2 -16,-1.8 -2,-0.3 2,-0.5 -0.898 10.0-167.5-129.0 107.8 24.4 35.6 49.5 30 30 A E E +A 12 0A 87 -2,-0.5 2,-0.3 -18,-0.2 -18,-0.2 -0.741 21.4 174.7 -93.5 130.4 21.1 34.2 48.5 31 31 A L E -A 11 0A 2 -20,-3.0 -20,-2.6 -2,-0.5 2,-0.4 -0.832 28.2-136.6-132.5 170.6 18.7 36.8 47.4 32 32 A L E -A 10 0A 2 15,-0.5 15,-2.2 -2,-0.3 2,-0.3 -0.996 21.4-168.3-131.1 122.0 15.3 37.1 46.0 33 33 A L E -AC 9 46A 0 -24,-1.9 -24,-2.3 -2,-0.4 2,-0.4 -0.884 6.4-149.9-119.3 154.6 14.6 39.5 43.2 34 34 A L E -AC 8 45A 0 11,-2.8 11,-2.0 -2,-0.3 2,-0.7 -0.992 4.6-160.8-130.0 129.7 11.3 40.7 41.7 35 35 A R E -AC 7 44A 42 -28,-1.7 -28,-1.5 -2,-0.4 2,-0.4 -0.859 14.1-154.0-110.6 102.3 10.4 41.8 38.2 36 36 A A E -AC 6 43A 0 7,-3.4 7,-1.3 -2,-0.7 2,-0.7 -0.616 8.9-154.2 -77.7 127.4 7.3 43.8 38.1 37 37 A V E +AC 5 42A 30 -32,-3.0 -33,-3.2 -2,-0.4 -32,-0.9 -0.861 19.0 168.3-111.8 111.0 5.5 43.6 34.7 38 38 A T - 0 0 10 3,-3.0 -35,-0.1 -2,-0.7 5,-0.0 -0.770 49.3-113.9-111.4 160.5 3.3 46.3 33.6 39 39 A P S S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.756 122.1 47.4 -58.4 -27.0 1.8 46.9 30.2 40 40 A A S S- 0 0 87 1,-0.2 2,-0.3 -38,-0.2 -3,-0.0 0.902 123.5 -68.2 -81.2 -50.3 4.0 50.0 30.2 41 41 A G - 0 0 32 2,-0.0 -3,-3.0 -5,-0.0 2,-0.3 -0.935 56.1 -50.6-177.0-160.2 7.3 48.5 31.4 42 42 A E E -C 37 0A 97 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.676 27.3-172.6-107.9 157.4 9.4 46.8 34.1 43 43 A G E -C 36 0A 0 -7,-1.3 -7,-3.4 -2,-0.3 2,-0.4 -0.991 14.3-145.0-145.5 140.4 10.3 47.5 37.7 44 44 A W E -C 35 0A 17 -2,-0.3 2,-0.3 -9,-0.2 65,-0.3 -0.886 13.8-177.1-114.1 144.3 12.8 45.7 39.9 45 45 A G E -C 34 0A 0 -11,-2.0 -11,-2.8 -2,-0.4 2,-0.4 -0.988 10.6-153.8-137.7 144.8 12.7 44.9 43.6 46 46 A E E -C 33 0A 8 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.945 12.2-139.8-121.2 138.8 15.2 43.3 45.9 47 47 A C - 0 0 0 -15,-2.2 -15,-0.5 -2,-0.4 52,-0.1 -0.842 0.8-153.9-101.5 136.0 14.4 41.4 49.1 48 48 A V + 0 0 8 -2,-0.4 -1,-0.1 50,-0.2 12,-0.1 0.563 58.7 112.2 -83.7 -11.8 16.5 41.8 52.1 49 49 A T - 0 0 0 10,-0.1 2,-0.2 11,-0.1 10,-0.2 -0.130 52.5-152.3 -57.2 160.2 15.7 38.4 53.7 50 50 A M B -e 59 0C 26 8,-0.6 10,-3.6 2,-0.3 11,-0.2 -0.568 35.3 -74.7-123.5-171.6 18.4 35.9 53.9 51 51 A A S S+ 0 0 46 8,-0.2 10,-0.5 -2,-0.2 -2,-0.0 0.921 110.6 17.2 -48.9 -62.1 18.7 32.1 53.9 52 52 A G S S- 0 0 11 7,-0.1 2,-1.9 8,-0.1 3,-0.5 -0.717 88.7 -97.2-112.1 165.5 17.5 31.5 57.6 53 53 A P S S+ 0 0 0 0, 0.0 409,-2.1 0, 0.0 6,-0.1 -0.499 77.1 123.1 -80.5 68.9 15.7 33.7 60.1 54 54 A L S S+ 0 0 52 -2,-1.9 3,-0.1 4,-0.2 5,-0.1 0.826 77.0 31.6-101.2 -38.7 18.8 34.9 62.0 55 55 A Y S S- 0 0 18 -3,-0.5 2,-0.3 1,-0.2 -6,-0.0 0.834 139.5 -10.1 -83.6 -38.7 18.6 38.7 61.8 56 56 A S S S- 0 0 14 2,-0.4 406,-0.3 -4,-0.2 -1,-0.2 -0.882 81.4 -89.1-148.1 179.3 14.8 38.6 61.9 57 57 A S S S+ 0 0 39 -2,-0.3 2,-0.3 404,-0.1 407,-0.0 0.606 96.9 95.7 -73.4 -8.1 12.0 36.1 61.6 58 58 A E + 0 0 27 -6,-0.1 -8,-0.6 4,-0.1 -2,-0.4 -0.592 49.9 173.2 -88.0 142.3 12.0 36.6 57.9 59 59 A Y B > -e 50 0C 6 -2,-0.3 4,-3.1 -10,-0.2 5,-0.3 -0.972 42.8-102.9-145.9 158.4 13.8 34.3 55.5 60 60 A N H > S+ 0 0 13 -10,-3.6 4,-3.0 -2,-0.3 5,-0.2 0.908 119.8 43.1 -43.7 -61.6 14.2 33.8 51.7 61 61 A D H > S+ 0 0 64 -10,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.849 115.4 52.4 -56.8 -35.2 12.0 30.7 51.5 62 62 A G H > S+ 0 0 19 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.920 110.7 45.6 -66.4 -47.1 9.5 32.4 53.7 63 63 A A H X S+ 0 0 1 -4,-3.1 4,-3.0 1,-0.2 5,-0.3 0.909 110.0 55.1 -62.1 -46.9 9.3 35.6 51.7 64 64 A E H X S+ 0 0 23 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.934 108.8 47.7 -53.2 -49.4 9.0 33.7 48.5 65 65 A H H X S+ 0 0 48 -4,-2.1 4,-2.3 1,-0.2 5,-0.4 0.884 113.5 45.4 -62.4 -44.2 6.0 31.8 49.7 66 66 A V H X>S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-2.8 0.936 113.1 49.6 -69.5 -37.7 4.2 34.7 51.0 67 67 A L H <>S+ 0 0 0 -4,-3.0 5,-4.9 3,-0.2 -2,-0.2 0.970 116.2 43.6 -58.3 -50.6 4.8 36.8 48.0 68 68 A R H <5S+ 0 0 102 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.814 124.2 31.3 -56.1 -51.3 3.7 34.0 45.7 69 69 A H H <5S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.656 137.3 7.8 -91.1 -26.3 0.7 32.9 47.5 70 70 A Y T X5S+ 0 0 51 -4,-2.9 4,-1.7 -5,-0.4 -3,-0.2 0.704 123.2 41.6-124.8 -53.6 -0.5 36.0 49.1 71 71 A L H >> S+ 0 0 48 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.814 104.0 55.9 -52.3 -40.4 -1.8 37.7 43.9 74 74 A A H 3< S+ 0 0 19 -4,-1.7 4,-0.4 2,-0.2 -2,-0.2 0.728 110.1 46.2 -68.4 -21.6 -3.5 40.4 45.9 75 75 A L H X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.9 -72,-0.3 0.911 107.5 54.4 -84.4 -46.7 -2.0 43.1 43.8 76 76 A L H 3< S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.815 105.1 57.5 -52.3 -32.1 -2.7 41.4 40.5 77 77 A A T 3< S+ 0 0 88 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.705 88.1 96.5 -73.4 -22.3 -6.3 41.3 41.7 78 78 A A S < S- 0 0 22 -3,-1.8 -75,-0.4 -4,-0.4 3,-0.1 -0.490 70.4-140.3 -74.4 136.3 -6.4 45.1 42.1 79 79 A E S S+ 0 0 189 -2,-0.2 2,-0.4 1,-0.2 -76,-0.2 0.989 86.6 15.7 -58.3 -71.2 -7.9 47.2 39.3 80 80 A D S S- 0 0 81 -78,-0.1 2,-0.4 2,-0.0 -1,-0.2 -0.904 77.4-157.9-108.8 140.4 -5.5 50.2 39.4 81 81 A I + 0 0 1 -80,-1.3 2,-0.4 -2,-0.4 3,-0.1 -0.966 15.6 171.1-124.0 134.0 -2.1 49.9 41.2 82 82 A T >> - 0 0 31 -2,-0.4 3,-2.1 1,-0.1 4,-1.1 -0.994 45.3-116.8-134.8 140.8 0.2 52.6 42.6 83 83 A A H >> S+ 0 0 2 -2,-0.4 3,-1.3 1,-0.3 4,-0.7 0.911 119.7 56.1 -40.1 -45.0 3.2 52.0 44.8 84 84 A A H 34 S+ 0 0 59 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.822 104.1 52.0 -56.7 -35.3 1.3 53.9 47.4 85 85 A K H <> S+ 0 0 96 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.652 87.8 82.7 -78.4 -18.5 -1.6 51.6 47.2 86 86 A V H X S+ 0 0 67 -4,-0.7 4,-1.0 -3,-0.4 3,-0.7 0.981 111.9 41.1 -58.8 -60.9 0.4 49.1 51.4 88 88 A P H 34 S+ 0 0 85 0, 0.0 3,-0.3 0, 0.0 4,-0.3 0.832 113.6 57.9 -56.6 -32.8 -3.2 49.4 51.8 89 89 A L H 3< S+ 0 0 51 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.862 114.6 34.7 -68.3 -35.1 -3.6 46.6 49.4 90 90 A L H X< S+ 0 0 1 -4,-2.2 3,-1.8 -3,-0.7 -1,-0.2 0.374 85.9 106.1-102.3 5.1 -1.4 44.2 51.5 91 91 A A T 3< + 0 0 59 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.1 0.754 66.8 68.6 -56.6 -29.1 -2.5 45.5 54.8 92 92 A K T 3 S+ 0 0 133 -3,-0.3 2,-0.7 -4,-0.3 -1,-0.3 0.758 88.1 76.7 -64.7 -23.3 -4.7 42.4 55.5 93 93 A F S < S- 0 0 15 -3,-1.8 2,-0.3 2,-0.1 329,-0.2 -0.812 84.3-134.0 -93.6 120.4 -1.5 40.3 55.8 94 94 A K - 0 0 52 327,-2.3 2,-0.1 -2,-0.7 330,-0.1 -0.571 61.1 -20.3 -77.3 136.4 0.3 40.7 59.0 95 95 A G + 0 0 25 -2,-0.3 5,-0.1 1,-0.1 -2,-0.1 -0.400 70.0 126.7 72.6-144.3 4.0 41.3 59.0 96 96 A H > + 0 0 26 -2,-0.1 4,-3.1 3,-0.1 5,-0.2 0.805 29.5 158.0 57.0 38.6 6.2 40.2 56.1 97 97 A R H > + 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.836 65.5 53.0 -59.3 -46.7 7.7 43.6 55.8 98 98 A M H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.963 115.7 42.0 -58.1 -46.4 10.9 42.6 54.0 99 99 A A H >> S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 3,-0.6 0.967 114.2 49.5 -60.4 -56.4 8.8 40.9 51.4 100 100 A K H 3X S+ 0 0 38 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.853 110.6 54.0 -50.1 -38.4 6.2 43.6 51.2 101 101 A G H 3X S+ 0 0 3 -4,-2.5 4,-1.5 164,-0.3 169,-0.3 0.820 105.6 51.5 -66.8 -36.5 9.1 46.1 50.8 102 102 A A H <>S+ 0 0 3 -4,-2.8 5,-2.7 2,-0.2 3,-1.4 0.958 108.9 54.3 -73.7 -47.9 8.7 56.1 38.4 113 113 A R H ><5S+ 0 0 73 -4,-2.5 3,-0.6 -5,-0.3 -2,-0.2 0.832 109.1 54.5 -50.7 -32.2 10.4 54.9 35.3 114 114 A A H 3<5S+ 0 0 61 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.731 109.4 43.1 -72.8 -30.1 7.0 55.5 33.8 115 115 A H T <<5S- 0 0 138 -3,-1.4 -1,-0.2 -4,-0.8 -2,-0.2 0.234 117.0-115.8-100.9 12.4 6.9 59.1 35.0 116 116 A E T < 5S+ 0 0 169 -3,-0.6 2,-0.4 -4,-0.3 -3,-0.2 0.923 70.9 141.9 49.9 50.4 10.4 59.4 34.0 117 117 A R < - 0 0 118 -5,-2.7 229,-3.0 -8,-0.1 -1,-0.2 -0.977 47.7-128.4-129.3 135.9 11.3 60.0 37.6 118 118 A S B > -f 346 0D 23 -2,-0.4 4,-2.3 227,-0.3 5,-0.2 -0.324 22.5-121.5 -76.5 158.7 14.2 58.8 39.8 119 119 A F H > S+ 0 0 2 227,-2.3 4,-3.0 225,-0.3 5,-0.2 0.979 118.4 52.2 -59.7 -50.3 13.9 57.1 43.2 120 120 A A H >>S+ 0 0 7 226,-0.3 5,-2.7 1,-0.2 4,-0.7 0.814 106.7 52.8 -56.0 -32.7 15.9 60.0 44.6 121 121 A A H >45S+ 0 0 36 3,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.962 112.8 43.2 -66.9 -51.6 13.4 62.5 43.0 122 122 A E H 3<5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.915 112.2 52.4 -59.8 -45.4 10.5 60.9 44.5 123 123 A L H 3<5S- 0 0 8 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.643 116.6-111.2 -69.4 -14.9 12.1 60.4 47.9 124 124 A G T <<5 - 0 0 39 -3,-0.9 -3,-0.2 -4,-0.7 -2,-0.1 0.818 43.4-170.5 89.3 36.3 13.0 64.1 48.1 125 125 A S < - 0 0 36 -5,-2.7 183,-0.2 -6,-0.1 -1,-0.1 -0.187 17.9-176.0 -58.1 156.9 16.9 64.0 47.8 126 126 A V + 0 0 97 181,-1.7 2,-0.3 0, 0.0 -1,-0.1 0.307 65.4 55.8-129.8 -9.0 18.9 67.2 48.5 127 127 A R - 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0 0 47 -409,-3.1 2,-0.1 -2,-0.8 -406,-0.1 -0.455 59.5 -28.6 -69.8 125.0 13.5 41.4 113.8 1200 95 D G + 0 0 20 -2,-0.3 5,-0.1 -4,-0.1 -2,-0.1 -0.491 67.1 129.8 79.8-147.4 9.8 42.0 113.9 1201 96 D H > + 0 0 27 -2,-0.1 4,-2.7 3,-0.1 5,-0.3 0.847 29.3 164.4 57.6 46.2 7.3 41.0 116.7 1202 97 D R H > + 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 69.0 52.2 -58.8 -47.9 5.9 44.4 116.9 1203 98 D M H > S+ 0 0 6 168,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 111.8 47.8 -58.2 -40.6 2.8 43.4 118.8 1204 99 D A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.981 113.6 43.9 -64.4 -55.4 5.0 41.7 121.4 1205 100 D K H X S+ 0 0 34 -4,-2.7 4,-3.7 1,-0.2 5,-0.4 0.888 111.6 58.1 -56.6 -36.0 7.5 44.6 121.9 1206 101 D G H X S+ 0 0 3 -4,-2.8 4,-3.2 164,-0.3 169,-0.3 0.955 107.0 45.3 -54.5 -53.3 4.6 47.0 122.0 1207 102 D A H X S+ 0 0 1 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.913 115.2 48.2 -56.7 -47.1 3.0 45.2 124.9 1208 103 D L H >X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 3,-0.8 0.983 113.0 46.3 -56.9 -59.5 6.3 45.0 126.6 1209 104 D E H 3X S+ 0 0 2 -4,-3.7 4,-3.5 1,-0.3 5,-0.2 0.889 109.7 57.2 -49.6 -43.6 7.0 48.7 126.0 1210 105 D M H 3X S+ 0 0 2 -4,-3.2 4,-2.4 -5,-0.4 -1,-0.3 0.901 105.2 49.0 -56.3 -44.0 3.6 49.4 127.1 1211 106 D A H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 3,-0.8 0.958 110.8 53.3 -56.0 -55.1 7.3 49.6 131.1 1213 108 D L H 3X S+ 0 0 4 -4,-3.5 4,-3.3 1,-0.3 5,-0.4 0.908 105.6 53.5 -47.1 -52.5 5.8 52.9 130.0 1214 109 D D H 3X S+ 0 0 0 -4,-2.4 4,-1.3 -65,-0.4 -1,-0.3 0.856 109.5 49.0 -54.0 -36.0 3.0 52.5 132.5 1215 110 D A H S+ 0 0 3 -4,-3.3 5,-2.8 1,-0.3 4,-0.4 0.895 110.3 54.0 -64.6 -32.6 4.6 57.3 134.0 1218 113 D R H <5S+ 0 0 70 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.791 106.4 52.5 -70.2 -26.1 3.2 56.0 137.2 1219 114 D A H <5S+ 0 0 51 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.714 113.4 41.0 -79.8 -27.5 6.5 56.9 138.9 1220 115 D H T <5S- 0 0 140 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.411 113.3-121.6 -97.8 0.4 6.5 60.5 137.6 1221 116 D E T 5 + 0 0 155 -4,-0.4 2,-0.3 1,-0.2 -3,-0.2 0.743 65.0 144.8 65.0 27.6 2.8 60.5 138.4 1222 117 D R < - 0 0 124 -5,-2.8 229,-2.6 -6,-0.3 -1,-0.2 -0.762 47.6-124.7 -98.2 143.5 2.1 61.3 134.7 1223 118 D S B > -b 1451 0Z 21 -2,-0.3 4,-1.8 227,-0.3 229,-0.2 -0.312 21.6-118.0 -79.4 166.4 -0.8 60.1 132.7 1224 119 D F H >> S+ 0 0 3 227,-1.6 4,-2.4 225,-0.5 3,-0.6 0.988 117.1 52.1 -61.1 -56.1 -0.4 58.3 129.5 1225 120 D A H 3>>S+ 0 0 4 222,-0.4 5,-2.2 1,-0.3 4,-1.5 0.877 105.6 54.2 -42.7 -53.2 -2.2 61.1 127.7 1226 121 D A H 345S+ 0 0 30 1,-0.3 3,-0.4 3,-0.2 -1,-0.3 0.892 110.1 47.2 -51.2 -46.6 0.1 63.7 129.2 1227 122 D E H <<5S+ 0 0 60 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.868 114.5 46.0 -62.8 -41.5 3.1 61.9 127.9 1228 123 D L H <5S- 0 0 8 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.581 118.9-112.7 -77.8 -14.4 1.6 61.5 124.5 1229 124 D G T <5 - 0 0 37 -4,-1.5 -3,-0.2 -3,-0.4 -2,-0.1 0.833 42.7-173.6 82.8 45.8 0.5 65.1 124.5 1230 125 D S < + 0 0 33 -5,-2.2 183,-0.2 1,-0.1 -1,-0.1 -0.344 15.8 178.7 -65.0 152.9 -3.2 64.9 124.7 1231 126 D V + 0 0 121 181,-1.5 2,-0.2 0, 0.0 -1,-0.1 0.449 62.5 72.9-124.5 -21.1 -5.0 68.2 124.4 1232 127 D R - 0 0 70 180,-1.1 3,-0.1 177,-0.1 180,-0.1 -0.572 62.4-154.3 -96.4 159.1 -8.5 66.8 124.6 1233 128 D D S S+ 0 0 137 -2,-0.2 213,-3.5 1,-0.2 2,-0.3 0.619 79.2 22.6-107.0 -27.7 -10.4 65.4 127.6 1234 129 D S E S-C 1445 0a 47 211,-0.3 -1,-0.2 178,-0.1 209,-0.0 -0.916 70.3-139.7-136.8 163.7 -12.8 63.0 125.9 1235 130 D V E -C 1444 0a 1 209,-2.9 209,-2.4 -2,-0.3 2,-0.2 -0.980 17.8-118.9-134.4 143.0 -12.9 61.3 122.6 1236 131 D P E -C 1443 0a 32 0, 0.0 184,-1.1 0, 0.0 2,-0.4 -0.555 36.9-151.1 -75.6 136.6 -15.6 60.6 120.1 1237 132 D C B -e 1420 0b 0 205,-2.5 26,-2.2 -2,-0.2 27,-0.5 -0.916 17.3-176.9-120.1 143.0 -16.2 56.9 119.6 1238 133 D G E -f 1264 0c 0 182,-2.7 2,-0.4 -2,-0.4 27,-0.2 -0.624 21.1-122.5-120.4-177.7 -17.3 54.8 116.8 1239 134 D V E -f 1265 0c 0 25,-2.0 27,-3.3 -2,-0.2 2,-0.7 -0.981 6.0-134.4-134.9 147.0 -17.9 51.2 116.5 1240 135 D S E -f 1266 0c 8 -2,-0.4 2,-0.5 25,-0.2 27,-0.2 -0.860 25.3-156.9 -97.5 105.2 -16.7 48.3 114.3 1241 136 D V E -f 1267 0c 0 25,-4.0 27,-3.6 -2,-0.7 3,-0.1 -0.768 11.7-135.9 -91.8 123.1 -19.7 46.1 113.1 1242 137 D G - 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