==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-AUG-04 1X9E . COMPND 2 MOLECULE: HMG-COA SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROCOCCUS FAECALIS; . AUTHOR C.N.STEUSSY,A.A.VARTIA,J.W.BURGNER II,A.SUTHERLIN, . 766 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25574.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 124 16.2 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 . 2 0.3 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-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 . 2 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 1 1 2 2 2 4 2 1 3 0 2 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 3 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 PARALLEL BRIDGES PER LADDER . 2 6 3 6 0 0 0 4 2 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 . 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 0 139 0, 0.0 2,-0.3 0, 0.0 163,-0.0 0.000 360.0 360.0 360.0 133.8 47.3 19.8 36.7 2 2 A T - 0 0 69 164,-0.0 163,-3.5 168,-0.0 2,-0.3 -0.705 360.0-162.8 -98.6 150.9 44.0 20.1 38.6 3 3 A I E +A 164 0A 26 168,-0.4 168,-2.7 -2,-0.3 2,-0.3 -0.982 30.5 91.5-134.8 146.8 41.2 22.5 37.5 4 4 A G E -AB 163 170A 0 159,-2.4 159,-2.4 -2,-0.3 2,-0.5 -0.994 68.7 -13.9 168.6-164.5 38.3 23.9 39.3 5 5 A I E +AB 162 169A 1 164,-1.2 164,-2.2 -2,-0.3 163,-1.4 -0.580 40.2 174.3 -74.7 116.4 36.7 26.6 41.3 6 6 A D E S+ 0 0 7 155,-2.9 2,-0.3 -2,-0.5 -1,-0.2 0.765 72.8 7.8 -91.7 -31.1 39.2 29.0 42.8 7 7 A K E -A 161 0A 22 154,-1.1 154,-2.2 162,-0.1 2,-0.3 -0.993 63.4-177.4-152.0 144.1 36.7 31.4 44.2 8 8 A I E +A 160 0A 1 318,-0.4 2,-0.3 -2,-0.3 152,-0.2 -0.996 9.4 158.7-145.3 146.6 32.9 31.5 44.6 9 9 A S E -A 159 0A 1 150,-1.6 150,-3.0 -2,-0.3 2,-0.3 -0.982 19.6-149.6-162.7 151.5 30.4 34.0 45.9 10 10 A F E -A 158 0A 4 -2,-0.3 2,-0.3 148,-0.2 148,-0.2 -0.721 5.2-160.2-123.0 173.9 26.8 34.8 45.7 11 11 A F E -A 157 0A 18 146,-1.8 146,-2.0 -2,-0.3 47,-0.1 -0.965 7.8-177.0-152.0 142.1 24.8 38.0 45.9 12 12 A V - 0 0 3 -2,-0.3 144,-0.2 144,-0.2 33,-0.0 -0.948 37.0 -84.5-138.4 158.2 21.1 38.6 46.6 13 13 A P - 0 0 0 0, 0.0 31,-0.2 0, 0.0 32,-0.1 -0.246 39.1-111.6 -63.9 154.7 18.9 41.7 46.7 14 14 A P S S+ 0 0 41 0, 0.0 326,-3.7 0, 0.0 2,-0.3 0.352 93.1 79.8 -69.9 12.0 18.7 43.9 49.9 15 15 A Y E +Tu 44 340B 63 29,-0.6 29,-1.8 324,-0.3 2,-0.3 -0.871 49.1 159.8-125.6 150.8 15.1 42.8 50.4 16 16 A Y E -Tu 43 341B 36 324,-1.7 326,-2.4 -2,-0.3 2,-0.4 -0.989 25.7-142.1-162.1 156.7 13.2 39.7 51.7 17 17 A I E -T 42 0B 0 25,-1.5 25,-2.6 -2,-0.3 2,-0.3 -0.994 27.3-123.9-125.3 135.5 9.9 38.6 53.1 18 18 A D E >> -T 41 0B 43 -2,-0.4 4,-1.8 324,-0.3 3,-0.6 -0.626 19.8-128.1 -78.7 136.1 9.6 36.0 56.0 19 19 A M H 3> S+ 0 0 0 21,-3.7 4,-3.0 -2,-0.3 22,-0.1 0.696 106.9 57.8 -54.8 -27.2 7.5 32.9 55.2 20 20 A T H 3> S+ 0 0 42 20,-0.4 4,-2.7 2,-0.2 -1,-0.3 0.903 106.1 50.9 -73.9 -40.1 5.3 33.1 58.2 21 21 A A H <> S+ 0 0 25 -3,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.937 113.4 46.8 -61.3 -42.0 4.3 36.7 57.1 22 22 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.957 109.1 53.1 -64.7 -48.5 3.5 35.2 53.6 23 23 A A H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.3 3,-0.2 0.932 111.0 46.9 -51.4 -52.1 1.6 32.2 55.1 24 24 A E H ><5S+ 0 0 127 -4,-2.7 3,-1.4 1,-0.2 -1,-0.3 0.867 110.5 51.6 -59.2 -38.7 -0.6 34.5 57.0 25 25 A A H 3<5S+ 0 0 33 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.840 111.7 48.1 -67.4 -33.0 -1.2 36.8 54.1 26 26 A R T 3<5S- 0 0 45 -4,-2.5 -1,-0.3 -3,-0.2 -2,-0.2 0.089 116.7-117.4 -93.0 20.2 -2.2 33.7 52.0 27 27 A N T < 5S+ 0 0 152 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.854 74.1 115.4 43.8 52.1 -4.5 32.6 54.8 28 28 A V S - 0 0 114 -2,-0.3 3,-3.8 1,-0.2 4,-0.4 -0.645 34.6-132.6 -81.7 104.8 -0.7 27.7 58.3 30 30 A P T >> S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 3,-1.8 0.777 104.2 72.2 -21.4 -40.6 2.8 29.2 58.7 31 31 A G H 3>>S+ 0 0 11 1,-0.3 4,-3.4 2,-0.2 5,-0.7 0.824 79.2 71.1 -52.3 -30.5 3.8 25.5 58.7 32 32 A K H <4>S+ 0 0 118 -3,-3.8 5,-1.1 3,-0.2 -1,-0.3 0.735 109.2 31.6 -61.4 -23.9 3.2 25.0 55.0 33 33 A F H <4>S+ 0 0 13 -3,-1.8 6,-2.5 -4,-0.4 5,-2.0 0.847 126.6 40.2-100.2 -43.8 6.1 27.0 54.0 34 34 A H H <5S+ 0 0 46 -4,-1.8 -2,-0.2 4,-0.2 -3,-0.2 0.875 132.7 24.5 -67.3 -40.0 8.5 26.4 56.9 35 35 A I T <5S+ 0 0 140 -4,-3.4 -3,-0.2 -5,-0.3 -1,-0.2 0.497 129.3 36.4-108.0 -7.9 7.6 22.7 57.2 36 36 A G T - 0 0 19 0, 0.0 3,-1.9 0, 0.0 305,-0.1 -0.429 37.6 -98.6 -85.3 171.5 12.7 45.7 42.6 47 47 A I T 3 S+ 0 0 30 1,-0.3 324,-0.0 303,-0.2 304,-0.0 0.619 118.0 68.1 -63.7 -15.3 12.6 46.6 39.0 48 48 A S T 3 S+ 0 0 10 316,-0.1 323,-2.9 322,-0.1 2,-0.5 0.353 91.8 71.9 -86.3 4.0 15.8 48.4 39.1 49 49 A Q < + 0 0 3 -3,-1.9 2,-0.2 321,-0.2 321,-0.1 -0.979 59.6 157.1-125.0 123.7 17.7 45.2 39.8 50 50 A D > - 0 0 6 -2,-0.5 4,-1.9 90,-0.0 5,-0.2 -0.618 59.7 -73.5-127.8-169.5 18.2 42.6 37.0 51 51 A I H > S+ 0 0 2 29,-0.3 4,-2.8 1,-0.2 5,-0.3 0.790 129.9 53.6 -62.9 -27.1 20.6 39.8 36.3 52 52 A V H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.961 106.5 55.7 -70.6 -42.1 23.4 42.2 35.3 53 53 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.895 116.0 35.6 -54.0 -45.9 22.9 43.9 38.7 54 54 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.929 115.9 51.6 -75.5 -46.1 23.4 40.6 40.6 55 55 A A H X S+ 0 0 3 -4,-2.8 4,-2.1 1,-0.2 5,-0.2 0.872 111.8 49.7 -59.6 -36.7 26.0 39.0 38.4 56 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.3 -1,-0.2 0.943 112.0 45.5 -70.5 -44.6 28.1 42.2 38.7 57 57 A N H X S+ 0 0 22 -4,-1.7 4,-0.8 -5,-0.3 -2,-0.2 0.915 113.8 50.9 -64.3 -40.6 27.9 42.4 42.5 58 58 A A H >< S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.4 0.947 114.9 40.3 -61.3 -52.5 28.6 38.7 42.9 59 59 A A H >X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.3 3,-1.4 0.821 107.2 62.9 -68.3 -29.1 31.7 38.7 40.6 60 60 A E H 3< S+ 0 0 70 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.732 96.4 62.3 -65.9 -19.1 32.8 42.0 42.1 61 61 A A T << S+ 0 0 40 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.706 116.7 26.5 -80.8 -17.7 33.1 40.2 45.4 62 62 A I T <4 S+ 0 0 8 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.605 93.1 103.7-122.4 -9.0 35.8 37.8 44.0 63 63 A L < - 0 0 14 -4,-2.0 2,-0.3 4,-0.1 3,-0.0 -0.583 41.4-172.5 -83.1 131.1 37.7 39.5 41.2 64 64 A T >> - 0 0 47 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.740 41.2-105.6-111.1 164.4 41.2 40.9 41.5 65 65 A K H 3> S+ 0 0 126 1,-0.3 4,-1.1 -2,-0.3 5,-0.1 0.864 124.8 54.6 -55.3 -35.0 43.0 43.0 38.8 66 66 A E H 3> S+ 0 0 122 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.819 107.0 51.2 -71.3 -29.5 45.2 39.9 38.0 67 67 A D H <> S+ 0 0 4 -3,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.908 105.4 55.9 -75.0 -37.7 41.9 38.0 37.5 68 68 A K H < S+ 0 0 46 -4,-2.3 31,-3.1 1,-0.2 -2,-0.2 0.766 110.9 44.8 -64.2 -24.4 40.7 40.7 35.1 69 69 A E H < S+ 0 0 132 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.746 115.3 45.6 -90.2 -27.7 43.8 40.2 33.0 70 70 A A H < S+ 0 0 21 -4,-1.3 62,-1.9 -3,-0.1 2,-0.5 0.725 87.5 97.7 -87.2 -25.8 43.8 36.4 33.0 71 71 A I E < +c 132 0A 0 -4,-2.1 62,-0.2 60,-0.2 28,-0.2 -0.558 37.5 166.4 -69.9 117.0 40.1 35.9 32.2 72 72 A D E + 0 0 16 60,-1.9 31,-2.1 -2,-0.5 2,-0.3 0.218 63.8 47.4-115.2 11.0 39.7 35.2 28.5 73 73 A M E -cd 133 103A 0 59,-0.7 61,-2.6 29,-0.2 2,-0.5 -0.956 58.0-169.7-154.4 129.0 36.1 34.0 28.7 74 74 A V E -cd 134 104A 0 29,-2.8 31,-1.9 -2,-0.3 2,-0.4 -0.990 11.6-175.7-122.5 128.6 33.0 35.2 30.4 75 75 A I E -cd 135 105A 0 59,-2.9 61,-2.7 -2,-0.5 2,-0.5 -0.977 10.1-166.9-128.0 131.5 29.9 33.1 30.7 76 76 A V E -cd 136 106A 2 29,-1.9 31,-3.0 -2,-0.4 2,-0.6 -0.956 5.2-161.8-117.9 132.3 26.4 33.9 32.0 77 77 A G E +cd 137 107A 0 59,-2.4 61,-2.4 -2,-0.5 2,-0.3 -0.956 31.4 136.4-112.5 123.5 23.9 31.2 32.7 78 78 A T - 0 0 0 29,-1.6 31,-0.3 -2,-0.6 61,-0.2 -0.981 47.6-162.9-161.8 158.5 20.3 32.3 33.0 79 79 A E S S+ 0 0 2 59,-0.3 60,-0.1 -2,-0.3 32,-0.1 0.010 91.2 74.4-131.0 19.4 16.8 31.6 32.0 80 80 A S S S+ 0 0 17 58,-0.4 -29,-0.3 389,-0.1 389,-0.1 -0.243 71.2 164.7-124.2 40.4 15.8 35.3 33.0 81 81 A S - 0 0 8 387,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.123 33.4-158.0 -60.8 159.6 17.4 37.1 30.0 82 82 A I S S+ 0 0 35 4,-0.2 491,-1.2 1,-0.2 2,-0.3 0.315 78.1 39.7-116.9 -1.4 16.7 40.7 29.0 83 83 A D B -V 572 0C 13 489,-0.3 -1,-0.2 3,-0.2 5,-0.1 -0.975 63.9-148.1-145.9 146.3 17.7 40.6 25.4 84 84 A E S S+ 0 0 0 487,-3.1 381,-0.4 -2,-0.3 409,-0.1 0.502 99.2 22.2 -95.7 -4.5 17.1 37.8 22.8 85 85 A S S S+ 0 0 0 486,-0.4 409,-3.3 1,-0.2 2,-0.5 0.667 108.5 69.9-126.0 -48.5 20.3 38.5 20.9 86 86 A K S S- 0 0 6 407,-0.2 2,-0.3 485,-0.1 -4,-0.2 -0.669 77.5-130.0 -85.4 126.2 22.8 40.3 23.1 87 87 A A >> - 0 0 0 -2,-0.5 3,-2.1 17,-0.2 4,-0.6 -0.555 6.4-136.8 -76.4 132.8 24.4 38.3 25.9 88 88 A A H 3> S+ 0 0 8 1,-0.3 4,-2.3 -2,-0.3 3,-0.2 0.675 102.6 74.5 -60.1 -18.3 24.3 39.8 29.4 89 89 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.804 87.7 60.4 -66.6 -28.3 27.9 38.4 29.6 90 90 A V H <> S+ 0 0 0 -3,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.903 109.6 40.6 -67.6 -39.2 29.0 41.4 27.2 91 91 A V H X S+ 0 0 6 -4,-0.6 4,-2.9 -3,-0.2 5,-0.3 0.894 113.0 53.8 -75.6 -36.6 27.8 43.9 29.8 92 92 A L H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 6,-0.2 0.909 106.9 54.3 -58.8 -41.6 29.2 41.9 32.7 93 93 A H H <>S+ 0 0 10 -4,-2.5 5,-1.5 2,-0.2 4,-0.5 0.925 112.0 43.7 -61.7 -44.2 32.6 41.9 30.8 94 94 A R H ><5S+ 0 0 110 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.960 113.8 47.8 -66.1 -50.6 32.4 45.8 30.6 95 95 A L H 3<5S+ 0 0 13 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.751 111.5 51.5 -59.8 -27.2 31.3 46.4 34.2 96 96 A M T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.499 104.8-127.8 -89.4 -7.3 34.0 44.1 35.6 97 97 A G T < 5 + 0 0 51 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.799 44.7 170.4 66.7 27.6 36.8 45.7 33.6 98 98 A I < - 0 0 9 -5,-1.5 -1,-0.2 -6,-0.2 -29,-0.2 -0.447 44.7 -88.5 -73.4 147.7 38.0 42.4 32.2 99 99 A Q - 0 0 37 -31,-3.1 -1,-0.1 -28,-0.2 464,-0.1 -0.167 39.5-117.9 -56.0 146.2 40.7 42.6 29.5 100 100 A P S S+ 0 0 64 0, 0.0 2,-2.5 0, 0.0 463,-2.5 0.766 93.8 80.0 -55.5 -36.6 39.3 43.0 26.0 101 101 A F S S+ 0 0 51 461,-0.2 2,-0.3 2,-0.0 461,-0.3 -0.446 74.7 115.5 -80.4 74.0 40.5 40.0 24.2 102 102 A A - 0 0 0 -2,-2.5 2,-0.5 -4,-0.1 -29,-0.2 -0.951 63.9-122.5-139.7 160.8 37.8 37.7 25.5 103 103 A R E -d 73 0A 8 -31,-2.1 -29,-2.8 -2,-0.3 2,-0.4 -0.854 32.2-176.7-101.6 130.4 34.9 35.5 24.5 104 104 A S E +d 74 0A 0 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.997 13.0 141.1-133.3 134.6 31.6 36.4 26.1 105 105 A F E -d 75 0A 0 -31,-1.9 -29,-1.9 -2,-0.4 2,-0.3 -0.993 41.0-113.3-164.2 165.5 28.2 34.7 25.8 106 106 A E E -dE 76 492A 1 386,-2.2 386,-2.5 -2,-0.3 2,-0.5 -0.757 22.1-150.8-105.2 147.7 25.1 33.6 27.5 107 107 A I E -dE 77 491A 0 -31,-3.0 -29,-1.6 -2,-0.3 2,-0.5 -0.986 9.7-162.8-122.2 129.4 24.1 29.9 27.9 108 108 A K E + E 0 490A 1 382,-2.5 382,-2.1 -2,-0.5 -29,-0.1 -0.946 38.5 121.5-118.9 113.4 20.4 28.9 28.1 109 109 A E S >> S- 0 0 0 1,-0.7 3,-2.3 -2,-0.5 4,-0.6 -0.319 75.8 -95.2-163.8 69.6 19.1 25.6 29.4 110 110 A A G >4 S- 0 0 0 359,-3.2 -1,-0.7 1,-0.3 3,-0.7 -0.183 95.7 -20.6 51.2-135.7 16.7 26.3 32.4 111 111 A C G 34 S+ 0 0 7 1,-0.2 -1,-0.3 166,-0.1 3,-0.2 0.375 131.6 74.0 -83.8 2.2 18.5 26.0 35.7 112 112 A Y G X> + 0 0 0 -3,-2.3 4,-1.9 1,-0.2 3,-1.0 0.666 67.9 94.5 -91.7 -16.6 21.3 23.9 34.1 113 113 A G H S+ 0 0 0 -3,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.800 109.0 55.9 -73.2 -29.6 25.7 27.8 34.7 115 115 A T H <> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.2 5,-0.2 0.928 107.4 50.0 -68.1 -42.7 26.7 24.1 35.1 116 116 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-0.3 0.975 111.1 49.1 -57.4 -53.5 27.2 23.9 31.3 117 117 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.858 109.8 52.6 -53.3 -40.7 29.4 27.1 31.5 118 118 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.884 111.3 44.0 -65.7 -42.0 31.4 25.6 34.4 119 119 A Q H X S+ 0 0 3 -4,-2.1 4,-2.3 -3,-0.3 -2,-0.2 0.891 115.4 47.4 -72.4 -38.5 32.3 22.4 32.6 120 120 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.884 113.0 50.2 -67.6 -35.6 33.1 24.0 29.4 121 121 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.3 5,-0.3 0.927 106.7 55.2 -68.2 -43.8 35.2 26.5 31.4 122 122 A K H X S+ 0 0 17 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.948 109.9 47.3 -51.5 -50.0 36.9 23.5 33.1 123 123 A N H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.921 110.2 52.2 -57.9 -49.3 37.8 22.2 29.6 124 124 A H H X S+ 0 0 4 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.919 112.4 43.2 -54.3 -49.7 39.1 25.6 28.4 125 125 A V H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 6,-0.2 0.825 108.4 59.7 -67.0 -32.4 41.5 26.1 31.4 126 126 A A H < S+ 0 0 34 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.863 113.3 38.9 -64.7 -34.6 42.6 22.4 31.2 127 127 A L H < S+ 0 0 54 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.786 129.9 29.9 -86.3 -26.0 43.8 23.3 27.6 128 128 A H S >< S+ 0 0 54 -4,-1.9 3,-2.5 -5,-0.2 -1,-0.3 -0.680 71.9 179.9-133.2 74.6 45.1 26.8 28.5 129 129 A P T 3 S+ 0 0 52 0, 0.0 35,-0.5 0, 0.0 -4,-0.1 0.531 78.0 60.0 -50.4 -15.1 46.2 26.6 32.2 130 130 A D T 3 S+ 0 0 105 33,-0.1 2,-0.2 2,-0.0 -5,-0.1 0.543 95.8 82.0 -91.3 -12.5 47.4 30.1 32.3 131 131 A K < - 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