==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-MAY-07 2PQC . 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) . 16170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 336 75.5 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 . 46 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 24.0 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 3 2 0 2 3 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 0 153 0, 0.0 2,-0.2 0, 0.0 421,-0.0 0.000 360.0 360.0 360.0-176.2 -147.5 14.9 132.0 2 7 A S - 0 0 57 417,-0.1 418,-0.1 418,-0.0 417,-0.0 -0.761 360.0-141.1-125.1 169.9 -148.5 18.5 131.6 3 8 A R - 0 0 140 -2,-0.2 418,-2.1 442,-0.0 419,-0.2 -0.925 20.0-146.7-135.5 105.6 -150.8 21.1 133.2 4 9 A P - 0 0 47 0, 0.0 441,-2.8 0, 0.0 2,-0.3 -0.261 13.5-164.2 -68.8 159.1 -152.6 23.6 131.0 5 10 A A E -AB 418 444A 1 413,-1.6 413,-2.7 439,-0.2 2,-0.4 -0.989 7.4-149.0-143.8 149.8 -153.3 27.1 132.1 6 11 A T E -AB 417 443A 41 437,-2.5 437,-3.0 -2,-0.3 2,-0.4 -0.983 5.1-152.9-127.0 128.6 -155.7 29.8 130.8 7 12 A A E -AB 416 442A 0 409,-3.0 409,-1.8 -2,-0.4 2,-0.3 -0.832 15.7-158.9 -99.6 136.4 -155.1 33.6 131.0 8 13 A R E - B 0 441A 101 433,-2.5 433,-0.6 -2,-0.4 406,-0.1 -0.817 33.3 -78.1-117.2 153.4 -158.2 35.9 131.1 9 14 A K - 0 0 111 -2,-0.3 2,-0.3 404,-0.2 402,-0.2 -0.233 50.3-145.5 -54.3 128.2 -158.7 39.5 130.3 10 15 A S - 0 0 8 400,-2.3 3,-0.1 1,-0.1 430,-0.1 -0.687 14.8-144.3 -99.1 147.0 -157.4 41.8 133.1 11 16 A S S S- 0 0 117 1,-0.3 2,-0.1 -2,-0.3 -1,-0.1 0.475 77.9 -37.2 -88.6 -1.6 -158.8 45.0 134.2 12 17 A G - 0 0 19 427,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.361 51.2-128.2 148.3 131.1 -155.4 46.5 135.0 13 18 A L + 0 0 0 240,-0.3 244,-2.4 -3,-0.1 2,-0.3 -0.860 35.6 166.9-102.3 135.8 -152.1 45.5 136.5 14 19 A S E +d 257 0B 77 424,-2.1 2,-0.3 -2,-0.4 244,-0.2 -0.983 18.5 66.3-153.3 136.1 -150.6 47.5 139.3 15 20 A G E -d 258 0B 26 242,-1.9 244,-2.7 -2,-0.3 2,-0.4 -0.922 63.8 -86.5 150.6-174.2 -147.9 47.2 141.9 16 21 A T E +d 259 0B 92 -2,-0.3 2,-0.3 242,-0.2 244,-0.2 -0.999 44.2 173.4-134.0 127.1 -144.2 47.1 142.6 17 22 A V E -d 260 0B 28 242,-2.7 244,-2.9 -2,-0.4 2,-0.5 -0.964 32.7-126.3-138.7 152.4 -142.3 43.8 142.5 18 23 A R E -d 261 0B 190 -2,-0.3 244,-0.1 242,-0.2 242,-0.1 -0.850 32.7-135.7 -95.2 130.2 -138.8 42.4 142.7 19 24 A I - 0 0 14 242,-1.2 3,-0.1 -2,-0.5 224,-0.0 -0.564 27.5 -98.1 -84.1 149.9 -138.0 40.2 139.7 20 25 A P - 0 0 12 0, 0.0 219,-3.0 0, 0.0 222,-0.2 -0.232 55.0 -77.9 -62.8 158.5 -136.2 36.9 140.3 21 26 A G B -E 238 0B 8 217,-0.3 217,-0.3 24,-0.3 2,-0.2 -0.068 55.4 -83.7 -58.4 157.3 -132.4 36.8 139.8 22 27 A D > - 0 0 0 215,-2.7 4,-2.3 1,-0.1 24,-0.4 -0.411 30.9-152.2 -65.7 125.8 -130.8 36.6 136.4 23 28 A K H > S+ 0 0 14 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 93.2 52.3 -64.9 -47.5 -130.6 33.0 135.1 24 29 A S H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 115.9 40.4 -56.1 -47.9 -127.4 33.5 133.0 25 30 A I H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 113.0 55.6 -70.1 -35.6 -125.5 35.0 135.9 26 31 A S H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 5,-0.2 0.929 106.5 49.9 -63.3 -44.4 -127.0 32.4 138.4 27 32 A H H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.949 114.1 45.6 -56.2 -51.5 -125.7 29.5 136.2 28 33 A R H X S+ 0 0 3 -4,-1.7 4,-3.1 -5,-0.2 5,-0.4 0.773 105.6 60.6 -66.1 -27.9 -122.2 31.0 136.1 29 34 A S H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.909 109.1 42.6 -65.2 -42.8 -122.2 31.8 139.8 30 35 A F H X S+ 0 0 2 -4,-1.8 4,-2.1 -3,-0.2 -2,-0.2 0.912 118.0 46.9 -67.6 -43.6 -122.6 28.1 140.7 31 36 A M H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.951 119.0 37.0 -65.3 -52.1 -120.1 27.1 138.0 32 37 A F H X S+ 0 0 1 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.881 117.6 51.6 -71.0 -36.9 -117.4 29.7 138.9 33 38 A G H < S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.902 111.2 49.2 -64.1 -38.4 -118.0 29.4 142.6 34 39 A G H < S+ 0 0 0 -4,-2.1 43,-2.2 -5,-0.2 -1,-0.2 0.822 116.8 41.1 -70.2 -30.3 -117.7 25.7 142.3 35 40 A L H < S+ 0 0 0 -4,-1.5 43,-0.7 41,-0.2 46,-0.3 0.816 98.4 90.5 -84.8 -34.2 -114.4 25.9 140.4 36 41 A A S < S- 0 0 0 -4,-2.5 42,-1.2 42,-0.2 2,-0.4 -0.028 84.3 -96.2 -67.5 166.4 -112.7 28.7 142.3 37 42 A S E S-Ij 77 230C 42 192,-2.8 194,-2.8 40,-0.2 -1,-0.1 -0.663 85.4 -13.9 -81.5 131.2 -110.4 28.5 145.2 38 43 A G E S-I 76 0C 46 38,-0.5 38,-2.7 -2,-0.4 2,-0.3 -0.338 105.4 -10.9 82.6-159.2 -112.1 29.0 148.5 39 44 A E E -I 75 0C 83 36,-0.2 2,-0.4 192,-0.2 36,-0.2 -0.607 43.9-170.2 -93.6 139.7 -115.5 30.3 149.3 40 45 A T E -I 74 0C 0 34,-2.4 34,-3.0 -2,-0.3 2,-0.5 -0.978 8.2-160.2-122.8 136.1 -118.1 32.1 147.1 41 46 A R E -Ik 73 233C 80 191,-1.9 193,-3.4 -2,-0.4 2,-0.5 -0.979 8.1-167.7-120.3 125.5 -121.2 33.7 148.6 42 47 A I E -Ik 72 234C 0 30,-3.2 30,-2.7 -2,-0.5 2,-0.4 -0.939 7.1-176.2-119.7 126.8 -124.2 34.4 146.3 43 48 A T E S+Ik 71 235C 50 191,-2.4 193,-2.9 -2,-0.5 28,-0.1 -0.910 71.9 26.5-116.4 146.3 -127.2 36.6 147.1 44 49 A G S S+ 0 0 39 26,-0.5 -23,-0.2 -2,-0.4 -1,-0.1 0.554 79.0 171.0 83.3 11.0 -130.2 36.9 144.8 45 50 A L - 0 0 15 25,-0.3 2,-0.4 -3,-0.2 -24,-0.3 -0.223 37.9-118.7 -58.5 138.4 -129.7 33.6 143.1 46 51 A L - 0 0 1 -24,-0.4 -1,-0.1 -26,-0.1 382,-0.1 -0.667 22.5-161.9 -74.1 125.8 -132.4 32.4 140.7 47 52 A E + 0 0 76 -2,-0.4 -1,-0.1 4,-0.1 381,-0.1 0.052 41.5 132.8-101.6 29.3 -133.7 29.1 142.2 48 53 A G S >> S- 0 0 0 379,-0.2 4,-2.0 1,-0.1 3,-0.5 -0.285 73.0 -99.7 -72.9 164.0 -135.4 27.9 139.1 49 54 A E H 3> S+ 0 0 95 376,-2.2 4,-2.2 1,-0.2 377,-0.2 0.820 118.6 59.2 -54.3 -41.5 -134.9 24.3 137.9 50 55 A D H 3> S+ 0 0 2 376,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.925 109.6 43.6 -54.8 -46.4 -132.3 25.1 135.3 51 56 A V H <> S+ 0 0 0 -3,-0.5 4,-2.4 375,-0.5 -2,-0.2 0.893 109.2 56.1 -69.4 -40.7 -130.0 26.6 137.9 52 57 A I H X S+ 0 0 48 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.912 105.1 54.0 -58.6 -39.6 -130.6 23.8 140.4 53 58 A N H X S+ 0 0 30 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.883 107.4 49.4 -63.2 -38.5 -129.4 21.3 137.8 54 59 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.920 109.3 53.3 -64.7 -41.0 -126.2 23.2 137.3 55 60 A G H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.925 108.0 49.7 -59.5 -43.7 -125.7 23.2 141.0 56 61 A K H X S+ 0 0 121 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.846 108.3 53.7 -65.1 -32.2 -126.1 19.4 141.2 57 62 A A H X S+ 0 0 5 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.900 109.1 48.2 -68.2 -40.4 -123.5 19.0 138.3 58 63 A M H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-0.9 0.894 110.4 51.3 -67.5 -38.9 -120.9 21.1 140.2 59 64 A Q H ><5S+ 0 0 94 -4,-2.2 3,-1.8 1,-0.2 -1,-0.2 0.896 104.0 58.9 -62.0 -38.8 -121.6 19.0 143.4 60 65 A A H 3<5S+ 0 0 48 -4,-1.9 26,-0.3 1,-0.3 -1,-0.2 0.695 107.1 48.2 -62.2 -20.9 -121.1 15.9 141.4 61 66 A M T <<5S- 0 0 0 -3,-0.9 22,-2.4 -4,-0.6 -1,-0.3 0.169 133.0 -82.7-107.4 15.0 -117.6 17.1 140.5 62 67 A G T < 5S+ 0 0 27 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.364 83.6 128.6 108.3 -8.2 -116.6 18.0 144.1 63 68 A A < - 0 0 5 -5,-2.2 2,-0.5 -6,-0.1 -1,-0.3 -0.506 49.9-137.4 -80.0 149.1 -117.9 21.5 144.9 64 69 A R E -L 75 0C 185 11,-1.9 11,-2.6 -2,-0.2 2,-0.4 -0.945 23.3-174.8-108.0 128.6 -119.9 21.8 148.1 65 70 A I E +L 74 0C 22 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.976 10.2 158.5-125.2 136.9 -123.0 23.9 147.9 66 71 A R E -L 73 0C 101 7,-1.8 7,-3.2 -2,-0.4 2,-0.6 -0.983 33.8-129.3-152.3 156.5 -125.4 25.0 150.7 67 72 A K E -L 72 0C 95 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.954 21.6-177.4-114.8 116.9 -127.9 27.7 151.4 68 73 A E E > -L 71 0C 104 3,-2.8 3,-2.1 -2,-0.6 2,-0.3 -0.943 66.8 -45.1-113.8 109.6 -127.5 29.6 154.7 69 74 A G T 3 S- 0 0 63 -2,-0.6 0, 0.0 1,-0.3 0, 0.0 -0.531 123.8 -26.2 67.0-128.6 -130.3 32.1 155.2 70 75 A D T 3 S+ 0 0 137 -2,-0.3 -26,-0.5 -3,-0.1 2,-0.5 0.222 122.0 94.2-102.3 16.8 -130.8 33.8 151.9 71 76 A T E < -IL 43 68C 28 -3,-2.1 -3,-2.8 -28,-0.1 2,-0.5 -0.910 64.0-146.3-115.2 129.6 -127.1 33.2 150.8 72 77 A W E -IL 42 67C 40 -30,-2.7 -30,-3.2 -2,-0.5 2,-0.5 -0.812 21.0-162.1 -89.8 127.4 -125.8 30.4 148.7 73 78 A I E -IL 41 66C 0 -7,-3.2 -7,-1.8 -2,-0.5 2,-0.4 -0.956 5.2-168.0-115.0 128.9 -122.3 29.5 149.9 74 79 A I E -IL 40 65C 0 -34,-3.0 -34,-2.4 -2,-0.5 2,-0.7 -0.959 15.2-155.1-121.9 132.6 -120.0 27.5 147.7 75 80 A D E -IL 39 64C 51 -11,-2.6 -11,-1.9 -2,-0.4 -36,-0.2 -0.925 28.4-149.3-104.1 108.7 -116.7 25.8 148.6 76 81 A G E -I 38 0C 19 -38,-2.7 -38,-0.5 -2,-0.7 -41,-0.2 -0.295 18.0-137.7 -78.6 164.6 -114.8 25.5 145.4 77 82 A V E -I 37 0C 45 -43,-2.2 -40,-0.2 -40,-0.1 -41,-0.2 0.577 50.8-112.7 -94.8 -12.1 -112.3 22.9 144.3 78 83 A G > - 0 0 9 -42,-1.2 3,-2.7 -43,-0.7 -42,-0.2 0.213 48.4 -54.4 89.0 146.1 -109.8 25.4 142.7 79 84 A N T 3 S+ 0 0 32 150,-0.3 -43,-0.1 1,-0.3 102,-0.0 -0.279 132.8 19.7 -55.0 133.0 -109.0 25.7 139.0 80 85 A G T 3 S+ 0 0 39 1,-0.0 -1,-0.3 147,-0.0 -2,-0.1 0.403 101.5 102.9 86.4 -1.4 -107.9 22.3 137.7 81 86 A G < + 0 0 24 -3,-2.7 -2,-0.1 -46,-0.3 -3,-0.0 0.376 37.8 129.1 -99.2 6.1 -109.6 20.6 140.7 82 87 A L - 0 0 9 -4,-0.2 2,-0.3 1,-0.1 -20,-0.2 -0.314 49.8-137.3 -63.1 143.2 -112.8 19.2 139.3 83 88 A L - 0 0 106 -22,-2.4 -20,-0.1 1,-0.1 -1,-0.1 -0.777 26.5 -93.8-104.4 147.0 -113.4 15.5 140.1 84 89 A A - 0 0 55 -2,-0.3 2,-0.1 1,-0.1 28,-0.1 -0.344 44.9-120.9 -59.7 124.7 -114.7 12.8 137.7 85 90 A P - 0 0 17 0, 0.0 -24,-0.1 0, 0.0 -1,-0.1 -0.443 8.9-143.2 -70.6 144.0 -118.4 12.5 138.0 86 91 A E S S+ 0 0 203 -26,-0.3 -25,-0.1 -2,-0.1 -2,-0.1 0.801 81.2 17.3 -73.4 -32.8 -119.7 9.0 139.0 87 92 A A S S- 0 0 61 1,-0.1 26,-0.3 -27,-0.1 3,-0.0 -0.820 102.3 -61.3-134.8 173.7 -122.8 9.3 136.9 88 93 A P - 0 0 69 0, 0.0 2,-0.7 0, 0.0 26,-0.2 -0.198 49.4-118.4 -57.4 148.5 -124.2 11.3 133.9 89 94 A L E -m 114 0D 4 24,-3.4 26,-2.3 -4,-0.1 2,-0.8 -0.828 28.6-151.4 -90.3 113.1 -124.6 15.1 134.5 90 95 A D E +m 115 0D 86 -2,-0.7 26,-0.2 24,-0.2 -33,-0.1 -0.789 22.2 173.9 -93.9 108.0 -128.4 15.7 134.0 91 96 A F > - 0 0 0 24,-2.7 3,-2.8 -2,-0.8 25,-0.2 0.429 18.6-165.6 -95.0 4.4 -129.0 19.2 132.8 92 97 A G T 3 S- 0 0 12 23,-0.3 25,-2.9 1,-0.3 28,-0.3 -0.308 71.4 -14.3 52.8-114.6 -132.7 18.7 132.3 93 98 A N T 3 S+ 0 0 4 23,-0.2 2,-0.9 -2,-0.2 -1,-0.3 0.434 108.8 112.1 -97.7 -1.7 -134.0 21.6 130.2 94 99 A A <> + 0 0 1 -3,-2.8 4,-2.3 1,-0.2 5,-0.1 -0.631 31.2 169.4 -89.4 97.9 -130.9 23.7 130.6 95 100 A A H > S+ 0 0 4 -2,-0.9 4,-3.4 1,-0.2 5,-0.4 0.859 82.1 59.7 -67.3 -35.9 -128.7 24.3 127.5 96 101 A T H > S+ 0 0 13 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.958 110.0 40.8 -58.0 -50.7 -126.7 27.0 129.3 97 102 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.948 118.9 47.1 -62.5 -45.9 -125.6 24.6 132.0 98 103 A C H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.954 115.4 41.9 -61.8 -53.0 -125.0 21.8 129.5 99 104 A R H X S+ 0 0 7 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.902 117.2 46.0 -66.7 -41.0 -123.0 23.7 126.9 100 105 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.4 -1,-0.2 0.910 112.8 50.7 -68.8 -37.5 -120.9 25.6 129.4 101 106 A T H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.3 5,-0.5 0.844 102.8 60.8 -69.9 -30.2 -120.2 22.5 131.4 102 107 A M H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.924 111.0 40.5 -59.0 -45.2 -119.1 20.6 128.3 103 108 A G H X S+ 0 0 0 -4,-1.4 4,-0.7 2,-0.2 -2,-0.2 0.924 115.2 53.2 -69.1 -41.8 -116.4 23.2 127.8 104 109 A L H < S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 3,-0.2 0.943 126.4 17.6 -60.3 -51.7 -115.6 23.3 131.5 105 110 A V H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 48,-0.3 0.633 104.1 82.5-101.5 -12.7 -115.0 19.6 132.1 106 111 A G H 3< S+ 0 0 0 -4,-1.9 32,-0.2 -5,-0.5 -1,-0.2 0.785 90.3 57.8 -58.9 -27.7 -114.5 18.2 128.6 107 112 A V T 3< S+ 0 0 2 -4,-0.7 2,-0.3 -3,-0.2 -1,-0.3 0.403 87.0 98.7 -83.8 0.9 -110.9 19.3 128.8 108 113 A Y S < S- 0 0 11 -3,-2.0 2,-2.2 2,-0.1 45,-1.9 -0.690 85.5-114.6 -90.2 145.7 -110.3 17.2 131.9 109 114 A D S S+ 0 0 84 -2,-0.3 2,-0.3 46,-0.2 -25,-0.1 -0.352 88.5 72.3 -79.1 58.7 -108.6 13.8 131.5 110 115 A F S S- 0 0 31 -2,-2.2 43,-0.9 -5,-0.3 2,-0.3 -0.941 88.6 -86.9-158.1 165.3 -111.6 11.7 132.7 111 116 A D E - 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