==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-MAY-07 2PQD . COMPND 2 MOLECULE: 3-PHOSPHOSHIKIMATE 1-CARBOXYVINYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM SP.; . AUTHOR M.L.HEALY-FRIED,T.FUNKE,H.HAN,E.SCHONBRUNN . 445 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16092.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 326 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 17.3 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 0 4 1 0 3 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 0 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 . 1 0 1 5 2 2 1 1 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 4 1 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 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 6 A S 0 0 170 0, 0.0 2,-0.3 0, 0.0 421,-0.0 0.000 360.0 360.0 360.0-167.8 -147.1 14.8 131.5 2 7 A S - 0 0 65 417,-0.0 418,-0.1 418,-0.0 417,-0.0 -0.794 360.0-140.6-127.9 168.1 -148.1 18.4 131.2 3 8 A R - 0 0 118 -2,-0.3 418,-2.0 442,-0.0 419,-0.2 -0.918 19.0-143.0-136.6 110.6 -150.5 21.0 132.6 4 9 A P - 0 0 46 0, 0.0 441,-3.0 0, 0.0 2,-0.3 -0.169 13.4-163.6 -65.2 160.4 -152.3 23.6 130.5 5 10 A A E -AB 418 444A 1 413,-1.5 413,-2.5 439,-0.2 2,-0.4 -0.987 6.1-150.1-145.0 147.6 -153.0 27.1 131.6 6 11 A T E -AB 417 443A 40 437,-2.5 437,-2.8 -2,-0.3 2,-0.4 -0.984 5.6-151.6-125.0 129.2 -155.4 29.8 130.3 7 12 A A E -AB 416 442A 0 409,-2.9 409,-1.8 -2,-0.4 2,-0.3 -0.841 15.5-156.8-100.4 137.1 -154.8 33.5 130.5 8 13 A R E - B 0 441A 110 433,-2.9 433,-0.6 -2,-0.4 406,-0.1 -0.828 31.6 -83.2-115.4 151.7 -157.9 35.8 130.6 9 14 A K - 0 0 132 -2,-0.3 2,-0.3 403,-0.2 402,-0.2 -0.210 53.4-156.7 -55.2 130.5 -158.4 39.4 129.7 10 15 A S - 0 0 13 400,-2.3 2,-0.2 -3,-0.0 3,-0.1 -0.747 18.2-129.8-115.7 155.3 -157.4 41.6 132.5 11 16 A S S S- 0 0 100 -2,-0.3 244,-0.1 428,-0.3 242,-0.1 -0.485 74.7 -35.0 -84.8 171.4 -158.1 45.1 133.8 12 17 A G - 0 0 26 242,-0.2 2,-0.4 -2,-0.2 -1,-0.3 0.246 56.3-132.5 -31.6 142.0 -154.9 47.0 134.5 13 18 A L + 0 0 0 240,-0.3 244,-2.5 -3,-0.1 2,-0.3 -0.836 35.7 175.9 -96.0 136.9 -151.8 45.4 135.9 14 19 A S E +d 257 0B 78 424,-2.2 2,-0.3 -2,-0.4 244,-0.2 -0.986 18.6 64.8-151.1 135.3 -150.5 47.4 138.8 15 20 A G E -d 258 0B 27 242,-1.9 244,-2.4 -2,-0.3 2,-0.4 -0.917 63.5 -89.0 149.2-176.2 -147.7 47.2 141.3 16 21 A T E +d 259 0B 90 -2,-0.3 2,-0.3 242,-0.2 244,-0.2 -0.998 43.7 171.5-134.1 127.2 -144.0 47.1 142.0 17 22 A V E -d 260 0B 28 242,-2.7 244,-2.8 -2,-0.4 2,-0.5 -0.983 33.5-125.1-140.8 149.2 -142.1 43.8 142.0 18 23 A R E -d 261 0B 204 -2,-0.3 244,-0.1 242,-0.2 242,-0.1 -0.832 32.8-133.8 -92.5 128.2 -138.5 42.5 142.2 19 24 A I - 0 0 11 242,-1.3 3,-0.1 -2,-0.5 224,-0.0 -0.523 28.2 -99.6 -80.1 148.3 -137.8 40.2 139.2 20 25 A P - 0 0 14 0, 0.0 219,-3.0 0, 0.0 26,-0.1 -0.165 55.1 -71.6 -62.6 164.0 -135.9 36.9 139.9 21 26 A G B -E 238 0B 8 24,-0.3 2,-0.3 217,-0.3 217,-0.2 -0.093 55.5 -89.7 -59.4 155.2 -132.2 36.6 139.3 22 27 A D > - 0 0 0 215,-2.6 4,-2.2 1,-0.1 24,-0.4 -0.471 30.0-151.2 -67.6 126.6 -130.6 36.5 135.9 23 28 A K H > S+ 0 0 15 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.914 92.6 53.7 -66.4 -47.0 -130.3 32.9 134.6 24 29 A S H > S+ 0 0 4 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.930 115.8 39.3 -54.4 -48.6 -127.2 33.4 132.5 25 30 A I H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 112.7 57.3 -70.7 -35.5 -125.2 34.9 135.4 26 31 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.929 106.5 48.4 -62.5 -44.2 -126.7 32.4 137.9 27 32 A H H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.942 114.1 47.1 -57.7 -49.3 -125.4 29.4 135.9 28 33 A R H X S+ 0 0 2 -4,-1.6 4,-3.0 -5,-0.3 5,-0.4 0.808 105.6 59.1 -65.4 -30.1 -122.0 31.0 135.7 29 34 A S H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.901 110.0 43.1 -65.1 -41.6 -122.0 31.8 139.4 30 35 A F H X S+ 0 0 3 -4,-1.8 4,-1.9 3,-0.2 -2,-0.2 0.900 117.3 47.3 -70.0 -41.9 -122.4 28.1 140.2 31 36 A M H X S+ 0 0 0 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.969 119.5 35.9 -64.8 -51.7 -119.8 27.1 137.6 32 37 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -3,-0.2 0.865 117.3 52.7 -73.1 -35.9 -117.1 29.6 138.5 33 38 A G H < S+ 0 0 0 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.900 111.6 47.7 -64.7 -38.4 -117.8 29.4 142.2 34 39 A G H < S+ 0 0 0 -4,-1.9 43,-2.3 -5,-0.2 -2,-0.2 0.802 117.4 41.6 -72.7 -27.5 -117.5 25.6 142.0 35 40 A L H < S+ 0 0 0 -4,-1.5 43,-0.5 41,-0.3 46,-0.3 0.782 98.0 91.1 -87.4 -31.9 -114.2 25.8 140.0 36 41 A A S < S- 0 0 0 -4,-2.4 42,-1.1 42,-0.2 2,-0.4 -0.086 84.6 -97.8 -67.5 163.4 -112.5 28.6 141.8 37 42 A S E S-Ij 77 230C 41 192,-2.9 194,-2.8 40,-0.2 40,-0.1 -0.663 85.8 -10.4 -81.4 132.1 -110.1 28.4 144.8 38 43 A G E S-I 76 0C 46 38,-0.6 38,-2.7 -2,-0.4 2,-0.3 -0.366 105.8 -14.2 85.0-159.5 -111.9 29.0 148.1 39 44 A E E -I 75 0C 84 36,-0.2 2,-0.4 192,-0.2 36,-0.2 -0.645 44.0-169.7 -94.6 140.6 -115.3 30.3 148.9 40 45 A T E -I 74 0C 0 34,-2.4 34,-3.1 -2,-0.3 2,-0.5 -0.976 8.6-159.8-122.7 135.9 -117.8 32.0 146.6 41 46 A R E -Ik 73 233C 81 191,-2.0 193,-3.3 -2,-0.4 2,-0.5 -0.980 7.9-165.9-120.3 126.4 -120.9 33.7 148.1 42 47 A I E -Ik 72 234C 0 30,-3.6 30,-3.0 -2,-0.5 2,-0.4 -0.926 7.5-175.0-119.7 127.2 -123.9 34.4 145.9 43 48 A T E S+Ik 71 235C 46 191,-2.3 193,-3.0 -2,-0.5 28,-0.1 -0.909 72.3 22.5-115.8 145.6 -127.0 36.6 146.6 44 49 A G S S+ 0 0 41 26,-0.6 -1,-0.2 -2,-0.4 -23,-0.1 0.630 79.6 171.6 79.0 14.3 -130.0 36.9 144.3 45 50 A L - 0 0 14 25,-0.3 2,-0.5 -3,-0.2 -24,-0.3 -0.261 38.1-117.4 -59.3 140.2 -129.4 33.5 142.6 46 51 A L - 0 0 1 -24,-0.4 -1,-0.1 -26,-0.1 382,-0.1 -0.695 23.3-162.1 -75.6 125.2 -132.2 32.3 140.3 47 52 A E + 0 0 77 -2,-0.5 -1,-0.1 4,-0.1 381,-0.1 0.010 39.8 135.8-101.5 33.7 -133.4 29.1 141.8 48 53 A G S >> S- 0 0 0 379,-0.2 4,-2.0 1,-0.1 3,-0.6 -0.318 72.0-101.2 -72.7 161.8 -135.2 27.8 138.6 49 54 A E H 3> S+ 0 0 95 376,-2.2 4,-2.2 1,-0.2 377,-0.2 0.841 119.1 59.5 -53.7 -39.8 -134.7 24.1 137.7 50 55 A D H 3> S+ 0 0 1 376,-1.6 4,-1.3 1,-0.2 -1,-0.2 0.915 108.7 43.1 -55.0 -48.4 -132.1 24.9 135.0 51 56 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 375,-0.5 -1,-0.2 0.887 109.9 56.4 -68.0 -40.2 -129.7 26.6 137.5 52 57 A I H X S+ 0 0 48 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.909 105.1 53.6 -59.3 -37.6 -130.3 23.8 140.1 53 58 A N H X S+ 0 0 32 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.876 106.9 50.1 -66.1 -36.6 -129.2 21.3 137.5 54 59 A T H X S+ 0 0 0 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.915 109.3 53.1 -65.3 -41.2 -126.0 23.1 136.9 55 60 A G H X S+ 0 0 2 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.911 108.3 49.4 -59.8 -42.0 -125.4 23.2 140.6 56 61 A K H X S+ 0 0 124 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 108.5 53.4 -65.9 -34.4 -125.9 19.4 140.9 57 62 A A H X S+ 0 0 6 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.905 109.5 48.5 -67.1 -39.8 -123.4 18.9 138.0 58 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.0 1,-0.2 3,-1.0 0.904 109.8 51.3 -67.8 -39.4 -120.8 21.0 139.8 59 64 A Q H ><5S+ 0 0 93 -4,-2.3 3,-1.9 1,-0.3 -1,-0.2 0.901 103.6 60.1 -61.7 -38.7 -121.4 19.0 143.1 60 65 A A H 3<5S+ 0 0 49 -4,-2.1 26,-0.3 1,-0.3 -1,-0.3 0.715 106.6 48.1 -60.8 -21.1 -120.9 15.8 141.0 61 66 A M T <<5S- 0 0 0 -3,-1.0 22,-2.6 -4,-0.6 -1,-0.3 0.190 133.0 -81.5-107.2 16.8 -117.4 17.1 140.2 62 67 A G T < 5S+ 0 0 36 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.332 83.9 127.7 110.0 -11.0 -116.3 18.1 143.7 63 68 A A < - 0 0 7 -5,-2.0 2,-0.5 -8,-0.1 -1,-0.3 -0.514 50.4-138.6 -79.5 147.5 -117.7 21.5 144.6 64 69 A R E -L 75 0C 151 11,-1.8 11,-2.5 -2,-0.2 2,-0.4 -0.955 24.3-175.8-106.2 127.7 -119.7 21.8 147.8 65 70 A I E +L 74 0C 16 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.977 10.3 156.8-125.8 136.1 -122.8 24.0 147.4 66 71 A R E -L 73 0C 64 7,-1.6 7,-2.8 -2,-0.4 2,-0.5 -0.978 35.1-127.5-153.5 159.7 -125.2 25.0 150.2 67 72 A K E -L 72 0C 93 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.959 21.2-176.6-117.7 117.0 -127.7 27.7 150.9 68 73 A E E > -L 71 0C 107 3,-2.8 3,-2.3 -2,-0.5 2,-0.2 -0.957 67.0 -45.5-113.3 114.0 -127.3 29.6 154.2 69 74 A G T 3 S- 0 0 65 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.461 123.5 -25.5 62.2-128.6 -130.1 32.1 154.7 70 75 A D T 3 S+ 0 0 135 -2,-0.2 -26,-0.6 -3,-0.1 2,-0.5 0.253 122.3 91.8 -99.8 12.7 -130.5 33.9 151.4 71 76 A T E < -IL 43 68C 27 -3,-2.3 -3,-2.8 -28,-0.1 2,-0.5 -0.903 65.0-144.4-115.0 132.3 -126.9 33.3 150.3 72 77 A W E -IL 42 67C 36 -30,-3.0 -30,-3.6 -2,-0.5 2,-0.5 -0.796 20.4-162.6 -90.6 130.7 -125.5 30.4 148.3 73 78 A I E -IL 41 66C 0 -7,-2.8 -7,-1.6 -2,-0.5 2,-0.4 -0.967 5.5-169.8-117.6 127.5 -122.0 29.5 149.5 74 79 A I E -IL 40 65C 0 -34,-3.1 -34,-2.4 -2,-0.5 2,-0.7 -0.954 16.7-155.2-122.5 132.9 -119.7 27.4 147.3 75 80 A D E -IL 39 64C 53 -11,-2.5 -11,-1.8 -2,-0.4 -36,-0.2 -0.935 28.8-150.2-104.3 111.5 -116.4 25.8 148.2 76 81 A G E -I 38 0C 19 -38,-2.7 -38,-0.6 -2,-0.7 -41,-0.3 -0.369 17.6-134.8 -83.5 161.9 -114.6 25.5 144.9 77 82 A V E -I 37 0C 45 -43,-2.3 -40,-0.2 -40,-0.1 -41,-0.2 0.556 51.2-111.1 -89.5 -9.2 -112.1 22.9 143.9 78 83 A G > - 0 0 9 -42,-1.1 3,-2.7 -43,-0.5 -42,-0.2 0.216 49.1 -55.9 88.4 146.2 -109.6 25.3 142.3 79 84 A N T 3 S+ 0 0 34 150,-0.3 -43,-0.1 1,-0.3 102,-0.0 -0.334 132.6 20.3 -57.9 129.4 -108.8 25.6 138.6 80 85 A G T 3 S+ 0 0 38 -2,-0.0 -1,-0.3 147,-0.0 -2,-0.1 0.349 101.2 103.2 91.7 -3.2 -107.7 22.2 137.3 81 86 A G < + 0 0 25 -3,-2.7 -2,-0.1 -46,-0.3 -3,-0.0 0.336 38.0 131.1 -96.9 7.4 -109.4 20.5 140.3 82 87 A L - 0 0 9 -4,-0.1 2,-0.3 1,-0.1 -20,-0.2 -0.344 48.7-137.2 -63.9 140.1 -112.6 19.1 138.9 83 88 A L - 0 0 105 -22,-2.6 -20,-0.1 1,-0.1 -1,-0.1 -0.728 26.3 -94.7 -99.5 147.8 -113.2 15.5 139.8 84 89 A A - 0 0 57 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.357 44.7-120.7 -59.8 125.4 -114.5 12.8 137.4 85 90 A P - 0 0 17 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.462 8.6-143.7 -72.8 142.1 -118.3 12.5 137.7 86 91 A E S S+ 0 0 203 -26,-0.3 3,-0.1 -2,-0.1 -25,-0.0 0.834 81.2 17.9 -69.4 -36.8 -119.6 9.0 138.8 87 92 A A S S- 0 0 62 1,-0.1 26,-0.3 -27,-0.1 3,-0.0 -0.778 101.6 -63.7-131.2 174.5 -122.7 9.3 136.6 88 93 A P - 0 0 71 0, 0.0 2,-0.7 0, 0.0 26,-0.2 -0.253 50.0-117.2 -59.6 149.1 -124.0 11.3 133.6 89 94 A L E -m 114 0D 5 24,-3.2 26,-2.4 -4,-0.1 2,-0.7 -0.825 28.6-152.4 -90.0 115.4 -124.5 15.0 134.1 90 95 A D E +m 115 0D 87 -2,-0.7 26,-0.2 24,-0.2 -33,-0.1 -0.817 21.3 174.3 -96.0 108.7 -128.2 15.6 133.6 91 96 A F > - 0 0 0 24,-2.5 3,-2.8 -2,-0.7 25,-0.2 0.384 19.4-164.2 -96.1 5.9 -128.9 19.2 132.4 92 97 A G T 3 S- 0 0 12 23,-0.3 25,-2.8 1,-0.3 28,-0.3 -0.279 71.1 -15.2 51.0-112.9 -132.6 18.7 132.0 93 98 A N T 3 S+ 0 0 3 23,-0.2 2,-1.1 -2,-0.2 -1,-0.3 0.475 105.5 115.8 -99.2 -3.3 -133.8 21.6 129.8 94 99 A A <> + 0 0 1 -3,-2.8 4,-2.3 1,-0.2 5,-0.2 -0.542 32.0 173.6 -82.5 95.8 -130.7 23.8 130.2 95 100 A G H > S+ 0 0 3 -2,-1.1 4,-3.4 1,-0.2 5,-0.3 0.939 84.1 54.1 -58.5 -46.8 -128.8 24.4 127.0 96 101 A T H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 5,-0.4 0.908 109.3 45.5 -54.9 -49.8 -126.6 26.9 128.8 97 102 A G H > S+ 0 0 0 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.942 117.4 45.6 -61.3 -44.8 -125.6 24.5 131.5 98 103 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.971 115.1 43.9 -62.3 -58.0 -125.0 21.7 129.0 99 104 A R H X S+ 0 0 5 -4,-3.4 4,-1.4 1,-0.2 -2,-0.2 0.930 118.0 43.8 -55.7 -50.2 -123.0 23.7 126.4 100 105 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -1,-0.2 0.908 112.8 51.4 -65.7 -39.4 -120.8 25.5 128.9 101 106 A T H X S+ 0 0 0 -4,-2.1 4,-3.1 -5,-0.4 5,-0.5 0.856 102.6 60.7 -69.3 -30.2 -120.1 22.4 131.0 102 107 A M H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.927 110.8 40.7 -59.4 -43.5 -119.0 20.5 127.9 103 108 A G H X S+ 0 0 0 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.930 115.0 52.7 -69.6 -44.0 -116.3 23.1 127.4 104 109 A L H < S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 3,-0.2 0.938 125.8 20.0 -56.3 -51.9 -115.5 23.2 131.1 105 110 A V H >< S+ 0 0 1 -4,-3.1 3,-2.2 1,-0.2 48,-0.3 0.680 103.8 80.7 -98.3 -17.7 -115.0 19.5 131.6 106 111 A G H 3< S+ 0 0 0 -4,-2.1 32,-0.2 -5,-0.5 -1,-0.2 0.785 90.4 58.1 -59.2 -26.3 -114.4 18.1 128.2 107 112 A V T 3< S+ 0 0 1 -4,-0.7 2,-0.3 46,-0.2 -1,-0.3 0.360 86.5 98.3 -86.7 5.2 -110.8 19.2 128.4 108 113 A Y S < S- 0 0 12 -3,-2.2 2,-2.0 2,-0.1 45,-1.9 -0.713 85.4-115.0 -91.7 148.0 -110.2 17.1 131.5 109 114 A D S S+ 0 0 82 -2,-0.3 2,-0.3 46,-0.2 -25,-0.1 -0.339 88.3 74.6 -81.4 56.4 -108.5 13.7 131.2 110 115 A F S S- 0 0 30 -2,-2.0 43,-0.9 -5,-0.3 2,-0.3 -0.939 88.4 -89.0-153.4 165.3 -111.5 11.7 132.4 111 116 A D E - 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