==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-APR-11 3RMJ . COMPND 2 MOLECULE: 2-ISOPROPYLMALATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA MENINGITIDIS; . AUTHOR F.H.A.HUISMAN,H.M.BAKER,N.KOON,E.N.BAKER,E.J.PARKER . 615 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22772.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 15.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 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 . 31 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.1 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 3 0 2 0 0 0 4 4 2 0 6 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 2 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 2 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 4 A T 0 0 140 0, 0.0 255,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.8 58.6 80.4 19.7 2 5 A N + 0 0 81 2,-0.1 255,-2.7 254,-0.1 2,-0.5 0.211 360.0 112.7 -97.4 11.6 56.1 80.5 22.6 3 6 A R B -a 257 0A 79 253,-0.2 2,-0.5 256,-0.0 255,-0.2 -0.747 54.7-153.9 -83.6 127.3 53.1 80.4 20.3 4 7 A V - 0 0 0 253,-3.1 2,-0.6 -2,-0.5 255,-0.3 -0.892 10.8-136.0-100.1 136.4 51.1 77.2 20.6 5 8 A I E -b 223 0B 39 217,-3.6 219,-2.2 -2,-0.5 2,-0.8 -0.776 10.4-148.6 -94.5 123.1 49.1 76.1 17.6 6 9 A I E -b 224 0B 0 -2,-0.6 35,-2.0 217,-0.2 34,-1.5 -0.827 12.4-168.9 -95.2 111.0 45.6 74.9 18.3 7 10 A F E -bc 225 41B 0 217,-2.6 219,-2.3 -2,-0.8 2,-0.5 -0.892 6.9-160.6-101.6 108.5 44.6 72.3 15.8 8 11 A D E +bc 226 42B 0 33,-3.1 35,-3.3 -2,-0.7 219,-0.2 -0.830 20.7 170.6 -96.6 128.8 40.9 71.5 16.1 9 12 A T > > + 0 0 0 217,-2.5 5,-2.8 -2,-0.5 3,-1.7 -0.057 37.6 122.8-125.7 31.5 39.6 68.3 14.7 10 13 A T I 3 >S+ 0 0 0 216,-0.3 5,-0.7 1,-0.3 -1,-0.1 0.897 78.9 51.3 -54.3 -39.9 36.0 68.4 16.1 11 14 A L I 3 5S+ 0 0 0 32,-0.4 -1,-0.3 3,-0.2 11,-0.1 0.399 126.5 18.7 -82.5 2.9 34.8 68.1 12.5 12 15 A R I <>5S+ 0 0 23 -3,-1.7 4,-1.2 33,-0.1 -2,-0.1 0.437 135.2 26.3-134.4 -75.5 36.9 65.1 11.6 13 16 A D I 45S+ 0 0 15 -4,-0.4 220,-0.4 1,-0.2 3,-0.4 0.907 128.7 47.8 -60.8 -38.7 38.3 63.0 14.5 14 17 A G I >4 - 0 0 67 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.270 36.6-102.0 -74.5 168.3 25.8 67.2 7.7 24 27 A K H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 123.2 51.4 -59.0 -43.6 27.4 69.9 5.6 25 28 A E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 110.8 48.4 -64.2 -40.5 25.2 72.6 7.0 26 29 A E H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 111.5 50.2 -61.9 -43.0 26.1 71.6 10.6 27 30 A K H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.908 108.6 51.9 -64.8 -43.0 29.8 71.5 9.7 28 31 A I H X S+ 0 0 40 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.936 111.2 47.6 -59.8 -45.7 29.7 75.0 8.2 29 32 A R H X S+ 0 0 162 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.903 113.8 46.0 -63.4 -41.8 28.1 76.4 11.3 30 33 A V H X S+ 0 0 2 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.944 111.4 53.9 -65.9 -40.7 30.5 74.7 13.6 31 34 A A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.881 106.5 50.2 -62.0 -42.0 33.4 75.8 11.5 32 35 A R H X S+ 0 0 137 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 112.2 48.6 -63.9 -39.3 32.3 79.5 11.6 33 36 A Q H X S+ 0 0 30 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.912 109.8 51.5 -66.8 -38.9 32.1 79.2 15.4 34 37 A L H X>S+ 0 0 2 -4,-2.9 5,-1.5 2,-0.2 4,-1.1 0.897 108.7 51.7 -64.7 -40.8 35.6 77.6 15.5 35 38 A E H ><5S+ 0 0 37 -4,-2.4 3,-0.7 2,-0.2 -2,-0.2 0.946 110.6 48.0 -56.8 -48.7 37.0 80.4 13.4 36 39 A K H 3<5S+ 0 0 126 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.873 105.2 58.8 -56.9 -40.4 35.4 82.9 15.9 37 40 A L H 3<5S- 0 0 3 -4,-2.3 224,-3.3 -5,-0.1 -1,-0.2 0.789 114.2-123.6 -61.2 -27.9 36.9 80.9 18.8 38 41 A G T <<5 + 0 0 19 -4,-1.1 221,-0.3 -3,-0.7 -32,-0.2 0.622 48.1 165.3 91.9 20.3 40.3 81.6 17.1 39 42 A V < - 0 0 2 -5,-1.5 -1,-0.2 1,-0.1 -32,-0.1 -0.260 35.7-136.6 -61.2 151.8 41.6 78.1 16.7 40 43 A D S S+ 0 0 27 -34,-1.5 28,-2.8 1,-0.2 2,-0.4 0.871 82.7 26.8 -83.9 -40.6 44.6 78.0 14.3 41 44 A I E -cd 7 68B 6 -35,-2.0 -33,-3.1 26,-0.2 2,-0.6 -0.983 61.3-162.3-125.9 134.3 43.6 74.9 12.2 42 45 A I E -cd 8 69B 0 26,-3.5 28,-2.5 -2,-0.4 2,-0.9 -0.958 10.5-154.0-113.0 106.9 40.2 73.5 11.5 43 46 A E E - d 0 70B 0 -35,-3.3 -32,-0.4 -2,-0.6 28,-0.2 -0.753 16.7-176.4 -79.3 109.6 40.4 70.0 10.3 44 47 A A E - 0 0 0 26,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.612 44.8 -62.0 -90.3 -18.9 37.1 70.0 8.4 45 48 A G E - d 0 71B 0 25,-0.7 27,-2.9 12,-0.1 2,-0.5 -0.992 53.3 -71.2 164.3-168.0 36.9 66.3 7.2 46 49 A F E > - d 0 72B 30 -2,-0.3 3,-2.1 25,-0.2 4,-0.4 -0.901 41.1-164.7-126.9 90.5 38.4 63.5 5.1 47 50 A A G > S+ 0 0 0 25,-0.6 3,-0.8 -2,-0.5 7,-0.5 0.832 82.4 52.7 -56.0 -39.8 37.8 64.6 1.5 48 51 A A G 3 S+ 0 0 15 24,-0.5 -1,-0.3 1,-0.2 25,-0.1 0.537 86.0 87.0 -75.3 -7.3 38.4 61.2 -0.2 49 52 A A G < S- 0 0 52 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.844 108.0 -31.8 -64.9 -33.2 35.9 59.3 2.1 50 53 A S <> - 0 0 46 -3,-0.8 4,-2.5 -4,-0.4 -1,-0.2 -0.953 62.3 -96.1-170.8 166.9 32.9 60.1 -0.1 51 54 A P H > S+ 0 0 116 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.900 124.8 54.9 -64.3 -35.2 31.5 62.7 -2.4 52 55 A G H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.896 108.8 47.9 -60.0 -41.3 29.5 64.1 0.5 53 56 A D H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.908 110.9 50.7 -67.0 -41.6 32.7 64.4 2.5 54 57 A F H X S+ 0 0 53 -4,-2.5 4,-2.7 -7,-0.5 -2,-0.2 0.926 111.1 48.8 -58.6 -43.8 34.5 66.1 -0.3 55 58 A E H X S+ 0 0 103 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.937 112.2 48.1 -64.8 -47.0 31.6 68.6 -0.7 56 59 A A H X S+ 0 0 6 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.926 112.9 47.2 -60.2 -44.5 31.6 69.4 3.0 57 60 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.950 114.7 47.3 -61.2 -48.9 35.3 69.9 3.2 58 61 A N H X S+ 0 0 30 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.878 108.5 54.6 -61.4 -42.3 35.2 72.1 0.1 59 62 A A H < S+ 0 0 19 -4,-3.2 4,-0.4 1,-0.2 3,-0.3 0.904 110.1 47.5 -55.9 -41.7 32.3 74.1 1.5 60 63 A I H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 3,-1.4 0.889 106.6 56.7 -64.6 -41.1 34.4 74.8 4.6 61 64 A A H 3< S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.768 108.4 48.2 -62.2 -26.8 37.3 75.8 2.4 62 65 A K T 3< S+ 0 0 146 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.518 116.5 44.1 -88.3 -4.7 35.0 78.4 0.8 63 66 A T T <4 S+ 0 0 23 -3,-1.4 2,-0.3 -4,-0.4 -2,-0.2 0.789 97.2 70.5-105.7 -43.2 33.8 79.7 4.1 64 67 A I < + 0 0 1 -4,-2.4 28,-0.3 1,-0.1 5,-0.1 -0.662 39.3 156.4 -97.6 137.6 36.8 80.1 6.4 65 68 A T S S+ 0 0 72 -2,-0.3 -1,-0.1 25,-0.1 4,-0.1 0.595 70.3 50.7-127.6 -19.6 39.5 82.7 6.0 66 69 A K S S+ 0 0 161 2,-0.1 2,-0.3 25,-0.0 -2,-0.1 0.551 107.5 51.8-104.6 -14.1 41.2 83.4 9.3 67 70 A S S S- 0 0 2 25,-0.1 25,-0.4 -25,-0.0 2,-0.3 -0.884 92.6-101.1-117.1 156.2 42.0 79.8 10.2 68 71 A T E -d 41 0B 8 -28,-2.8 -26,-3.5 -2,-0.3 2,-0.6 -0.570 31.1-140.8 -73.5 130.4 43.7 77.1 8.2 69 72 A V E -de 42 93B 0 23,-3.1 25,-2.4 -2,-0.3 2,-0.3 -0.871 25.0-172.7 -96.8 123.2 41.4 74.6 6.6 70 73 A C E -de 43 94B 0 -28,-2.5 -26,-2.2 -2,-0.6 -25,-0.7 -0.834 13.3-163.8-116.7 144.0 42.7 71.0 6.7 71 74 A S E -de 45 95B 0 23,-1.4 25,-2.8 -2,-0.3 -25,-0.2 -0.997 21.1-126.5-120.4 144.0 41.6 67.7 5.2 72 75 A L E +de 46 96B 9 -27,-2.9 -25,-0.6 -2,-0.4 -24,-0.5 -0.396 30.8 177.7 -70.8 156.9 42.7 64.2 6.2 73 76 A S E - e 0 97B 0 23,-1.4 25,-0.6 -27,-0.1 2,-0.1 -0.954 29.7-119.6-154.7 142.4 44.1 61.9 3.6 74 77 A R E - e 0 98B 98 -2,-0.3 2,-2.6 23,-0.2 6,-0.2 -0.445 49.8 -92.7 -66.6 164.0 45.6 58.4 3.6 75 78 A A S S+ 0 0 13 23,-0.8 2,-0.3 -2,-0.1 49,-0.2 -0.306 94.1 105.8 -79.6 57.8 49.2 58.2 2.3 76 79 A I S > S- 0 0 75 -2,-2.6 4,-2.1 1,-0.1 3,-0.3 -0.991 79.2-115.5-143.8 151.8 48.0 57.5 -1.3 77 80 A E H > S+ 0 0 87 -2,-0.3 4,-2.5 1,-0.3 5,-0.3 0.883 109.6 51.2 -58.5 -49.7 47.8 59.5 -4.4 78 81 A R H > S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.908 112.9 45.5 -50.0 -51.8 44.0 59.6 -4.8 79 82 A D H > S+ 0 0 0 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.876 112.0 51.2 -65.1 -39.4 43.3 60.7 -1.3 80 83 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.932 111.0 47.8 -65.7 -44.2 46.0 63.4 -1.3 81 84 A R H X S+ 0 0 58 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.879 112.6 48.7 -66.8 -33.3 44.7 64.9 -4.6 82 85 A Q H X S+ 0 0 67 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.913 111.8 48.6 -74.3 -39.8 41.2 65.0 -3.4 83 86 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.922 114.1 47.9 -55.7 -48.6 42.2 66.6 -0.1 84 87 A G H X S+ 0 0 0 -4,-2.7 4,-1.0 1,-0.2 -2,-0.2 0.897 113.1 46.6 -65.6 -41.6 44.2 69.1 -2.1 85 88 A E H < S+ 0 0 99 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.876 113.0 49.8 -64.2 -40.0 41.3 69.8 -4.5 86 89 A A H < S+ 0 0 0 -4,-2.5 -25,-0.2 1,-0.2 -2,-0.2 0.853 116.5 40.0 -71.0 -37.9 38.8 70.2 -1.7 87 90 A V H >< S+ 0 0 0 -4,-2.2 3,-2.2 -5,-0.2 -1,-0.2 0.606 86.3 101.8 -82.4 -11.7 40.9 72.6 0.3 88 91 A A T 3< S+ 0 0 49 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.807 75.0 57.7 -43.7 -41.7 42.1 74.6 -2.7 89 92 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.701 84.4 95.2 -65.0 -21.4 39.7 77.5 -2.2 90 93 A A S < S- 0 0 1 -3,-2.2 3,-0.1 1,-0.1 -25,-0.1 -0.525 71.0-141.7 -76.7 136.1 40.9 78.4 1.3 91 94 A P S S+ 0 0 90 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.845 100.6 38.7 -62.2 -30.9 43.5 81.2 1.6 92 95 A K S S+ 0 0 88 -25,-0.4 -23,-3.1 -28,-0.3 2,-0.3 -0.975 84.1 163.7-118.7 117.0 45.1 79.1 4.4 93 96 A K E -e 69 0B 53 -2,-0.5 41,-0.4 -25,-0.3 2,-0.3 -0.980 16.7-174.7-142.2 145.1 45.0 75.3 3.7 94 97 A R E -e 70 0B 13 -25,-2.4 -23,-1.4 -2,-0.3 2,-0.4 -0.978 15.4-147.7-136.6 145.6 46.7 72.2 5.0 95 98 A I E -ef 71 135B 0 39,-1.6 41,-2.4 -2,-0.3 2,-0.6 -0.972 14.0-158.6-109.3 132.6 46.7 68.5 4.0 96 99 A H E +ef 72 136B 4 -25,-2.8 -23,-1.4 -2,-0.4 2,-0.3 -0.963 16.9 175.1-111.6 112.6 47.1 66.0 6.8 97 100 A T E -ef 73 137B 0 39,-2.6 41,-2.2 -2,-0.6 2,-0.3 -0.761 3.2-179.1-116.3 164.9 48.4 62.6 5.7 98 101 A F E -ef 74 138B 41 -25,-0.6 -23,-0.8 -2,-0.3 2,-0.3 -0.989 15.3-173.3-156.5 157.4 49.4 59.6 7.8 99 102 A I E - f 0 139B 11 39,-1.7 41,-2.2 -2,-0.3 2,-0.2 -0.962 38.0 -99.0-155.2 153.7 50.7 56.0 7.9 100 103 A A E - f 0 140B 3 -2,-0.3 41,-0.2 39,-0.2 39,-0.0 -0.496 32.5-178.5 -70.3 140.4 51.2 53.4 10.6 101 104 A T + 0 0 0 39,-2.6 45,-0.5 -2,-0.2 40,-0.1 0.313 43.2 107.0-125.7 4.4 54.8 53.2 11.8 102 105 A S S > S- 0 0 1 38,-0.4 4,-3.2 43,-0.2 5,-0.3 -0.602 74.8-121.0 -88.0 150.4 54.6 50.4 14.4 103 106 A P H > S+ 0 0 33 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.931 113.4 47.3 -53.3 -45.0 56.2 46.9 13.8 104 107 A I H >>S+ 0 0 98 40,-0.3 4,-2.5 1,-0.2 5,-0.7 0.930 115.5 42.8 -64.2 -48.1 52.8 45.2 14.3 105 108 A H H >>S+ 0 0 28 3,-0.2 5,-2.8 1,-0.2 4,-1.2 0.929 115.8 49.2 -64.3 -42.8 50.8 47.6 12.0 106 109 A M H <>S+ 0 0 9 -4,-3.2 6,-2.2 3,-0.2 5,-0.6 0.926 120.4 34.7 -64.1 -47.4 53.5 47.7 9.3 107 110 A E H <5S+ 0 0 112 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.934 132.1 26.1 -68.2 -51.8 53.9 43.9 9.1 108 111 A Y H <5S+ 0 0 161 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.856 131.9 29.0 -93.6 -40.6 50.3 42.7 9.8 109 112 A K T <> - 0 0 150 -2,-0.3 4,-2.0 1,-0.1 3,-1.3 -0.474 40.8-105.4 -66.5 147.4 58.7 46.5 5.0 114 117 A P H 3> S+ 0 0 63 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 121.8 58.9 -44.2 -40.0 59.7 49.7 6.8 115 118 A K H 3> S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.861 105.5 47.2 -59.6 -39.8 61.4 50.9 3.7 116 119 A Q H <> S+ 0 0 85 -3,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.860 109.2 55.1 -68.2 -38.6 58.2 50.7 1.6 117 120 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.950 109.7 46.0 -60.7 -50.6 56.4 52.5 4.4 118 121 A I H X S+ 0 0 19 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.957 113.0 50.4 -55.8 -51.7 58.9 55.4 4.3 119 122 A E H X S+ 0 0 98 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.911 110.4 49.2 -55.3 -43.3 58.7 55.5 0.5 120 123 A A H X S+ 0 0 25 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.925 112.8 48.0 -63.0 -41.4 54.9 55.6 0.6 121 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.923 112.2 48.3 -63.2 -47.2 55.0 58.5 3.1 122 125 A V H X S+ 0 0 29 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.912 112.0 49.8 -58.8 -46.7 57.5 60.4 1.1 123 126 A K H X S+ 0 0 123 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.925 111.8 48.0 -57.2 -47.0 55.5 60.0 -2.1 124 127 A A H X S+ 0 0 2 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.890 111.8 49.5 -62.7 -42.2 52.2 61.1 -0.4 125 128 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.889 109.2 52.0 -68.9 -38.8 53.9 64.2 1.1 126 129 A K H < S+ 0 0 127 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.909 111.0 47.1 -62.5 -39.5 55.5 65.2 -2.3 127 130 A I H >< S+ 0 0 12 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.917 107.4 57.4 -70.0 -37.9 52.1 65.0 -4.0 128 131 A A H >X S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.3 4,-1.3 0.863 98.1 61.1 -56.4 -38.3 50.6 67.0 -1.1 129 132 A R T 3< S+ 0 0 101 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.599 88.7 71.3 -68.5 -11.5 53.1 69.8 -1.8 130 133 A E T <4 S+ 0 0 123 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.721 109.5 34.1 -66.9 -18.9 51.6 70.2 -5.3 131 134 A Y T <4 S- 0 0 58 -3,-2.1 2,-0.3 1,-0.4 -2,-0.2 0.662 129.6 -1.9-114.4 -25.6 48.5 71.7 -3.5 132 135 A T < - 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