==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 06-NOV-95 1GFF . COMPND 2 MOLECULE: BACTERIOPHAGE G4 CAPSID PROTEINS GPF, GPG, GPJ; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE G4; . AUTHOR M.G.ROSSMANN . 606 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31592.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 24.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 3 0.5 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 . 67 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 5 0 1 0 0 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 0 PARALLEL BRIDGES PER LADDER . 5 4 3 3 0 1 3 1 1 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 1 1 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 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 10 1 V 0 0 98 0, 0.0 404,-1.3 0, 0.0 406,-0.2 0.000 360.0 360.0 360.0 155.0 12.2 22.2 97.6 2 11 1 P E -A 404 0A 62 0, 0.0 2,-0.6 0, 0.0 402,-0.3 -0.327 360.0-162.7 -58.5 126.5 15.4 20.1 97.4 3 12 1 H E -A 403 0A 36 400,-4.2 400,-2.1 -2,-0.0 2,-1.1 -0.968 10.6-145.8-115.6 109.7 17.3 20.1 100.6 4 13 1 D + 0 0 115 -2,-0.6 398,-0.2 398,-0.2 396,-0.0 -0.683 27.0 167.3 -80.0 101.3 20.9 19.1 100.3 5 14 1 L + 0 0 64 -2,-1.1 397,-0.1 396,-0.3 -1,-0.1 -0.163 24.4 146.1-107.8 33.6 21.6 17.3 103.5 6 15 1 S + 0 0 36 395,-0.4 2,-0.3 394,-0.1 394,-0.2 -0.292 16.9 160.8 -69.5 156.1 24.9 15.8 102.3 7 16 1 H E -B 399 0A 65 392,-1.4 392,-2.3 -2,-0.0 2,-0.2 -0.951 36.9-101.7-172.4 157.0 27.8 15.3 104.7 8 17 1 L E -B 398 0A 112 -2,-0.3 2,-0.4 390,-0.2 390,-0.2 -0.558 26.9-153.3 -88.3 153.6 31.0 13.3 105.1 9 18 1 V E -B 397 0A 14 388,-2.6 388,-2.2 -2,-0.2 2,-0.6 -0.991 9.9-171.0-133.8 121.1 31.4 10.3 107.3 10 19 1 F E +B 396 0A 167 -2,-0.4 386,-0.2 386,-0.2 2,-0.2 -0.942 29.2 177.0-113.2 104.5 34.6 9.1 108.9 11 20 1 E E +B 395 0A 17 384,-4.0 384,-1.4 -2,-0.6 2,-0.2 -0.550 21.4 162.3-113.3 170.4 33.9 5.7 110.3 12 21 1 A E +B 394 0A 14 382,-0.3 2,-0.3 -2,-0.2 382,-0.3 -0.827 12.4 143.6 178.4 145.4 35.5 2.7 112.1 13 22 1 G E -B 393 0A 0 380,-2.3 380,-2.0 377,-0.3 379,-1.7 -0.939 43.6 -74.0-170.0-173.7 34.3 -0.3 114.2 14 23 1 K - 0 0 11 135,-0.3 266,-0.3 -2,-0.3 -1,-0.1 0.035 49.2 -97.3 -85.5-164.0 34.9 -4.0 115.0 15 24 1 I S S+ 0 0 1 1,-0.1 265,-0.5 264,-0.1 361,-0.0 0.946 106.6 20.7 -89.5 -57.8 34.2 -7.1 112.9 16 25 1 G S S+ 0 0 0 263,-0.1 137,-3.5 265,-0.1 2,-0.4 -0.080 97.6 105.1-111.3 36.7 30.8 -8.7 113.8 17 26 1 R B -E 152 0B 19 135,-0.3 263,-0.4 263,-0.2 2,-0.3 -0.968 67.5-124.2-123.6 134.0 29.0 -5.7 115.4 18 27 1 L - 0 0 1 133,-3.0 2,-0.4 -2,-0.4 133,-0.3 -0.573 34.3-179.5 -76.6 131.1 26.2 -3.5 114.0 19 28 1 K E -F 278 0C 26 259,-1.8 259,-2.5 -2,-0.3 2,-0.4 -0.999 28.7-123.2-142.5 133.2 27.0 0.1 114.0 20 29 1 T E +F 277 0C 3 79,-1.4 257,-0.3 -2,-0.4 81,-0.2 -0.605 27.0 174.3 -76.6 127.1 25.1 3.3 112.9 21 30 1 I E + 0 0 16 255,-3.0 2,-0.3 1,-0.4 256,-0.2 0.577 65.6 4.4-109.3 -18.1 27.1 5.3 110.3 22 31 1 S E -F 276 0C 8 254,-1.6 254,-2.7 -13,-0.1 -1,-0.4 -0.940 53.9-175.7-169.0 145.7 24.5 7.9 109.5 23 32 1 W E -F 275 0C 70 -2,-0.3 252,-0.2 252,-0.2 250,-0.0 -0.982 5.0-167.2-149.0 136.6 21.0 9.1 110.5 24 33 1 T E -F 274 0C 10 250,-1.5 250,-1.0 -2,-0.3 2,-0.2 -0.963 21.5-133.1-128.1 110.2 18.8 11.8 109.0 25 34 1 P E -F 273 0C 71 0, 0.0 2,-0.3 0, 0.0 248,-0.3 -0.491 30.5-162.2 -62.6 131.1 15.7 13.1 110.8 26 35 1 V E -F 272 0C 3 246,-4.2 246,-2.3 -2,-0.2 2,-0.3 -0.867 8.6-136.4-118.8 149.6 12.8 13.2 108.3 27 36 1 V > - 0 0 47 -2,-0.3 3,-2.1 244,-0.2 241,-0.2 -0.805 37.5 -83.6-109.0 152.1 9.5 15.0 108.4 28 37 1 A T 3 S+ 0 0 44 -2,-0.3 242,-0.2 1,-0.3 243,-0.1 -0.241 113.2 16.4 -51.4 120.7 6.1 13.8 107.4 29 38 1 G T 3 S+ 0 0 44 239,-3.1 2,-0.3 1,-0.3 -1,-0.3 0.410 92.4 124.5 95.9 1.9 5.5 14.1 103.7 30 39 1 D < - 0 0 1 -3,-2.1 238,-2.8 238,-0.3 2,-0.4 -0.708 55.4-130.3 -98.1 153.4 9.1 14.5 102.5 31 40 1 S E -CD 267 404A 17 373,-1.6 373,-1.7 -2,-0.3 2,-0.4 -0.834 22.8-160.0 -98.5 132.9 10.9 12.4 99.9 32 41 1 F E +CD 266 403A 3 234,-3.6 234,-1.0 -2,-0.4 2,-0.3 -0.965 16.9 165.1-124.5 131.9 14.3 11.0 100.8 33 42 1 E E - D 0 402A 53 369,-1.2 369,-2.5 -2,-0.4 2,-0.3 -0.991 10.4-173.0-142.4 141.0 17.0 9.7 98.5 34 43 1 C E -CD 263 401A 7 229,-1.5 229,-2.3 -2,-0.3 2,-0.4 -0.992 17.5-163.7-141.8 146.8 20.7 9.0 99.2 35 44 1 D E -CD 262 400A 45 365,-2.6 365,-2.2 -2,-0.3 2,-0.6 -0.885 14.9-171.4-133.5 97.5 23.8 8.0 97.4 36 45 1 M E +CD 261 399A 0 225,-1.9 225,-2.5 -2,-0.4 2,-0.4 -0.823 11.0 171.0 -95.3 115.6 26.5 6.8 99.7 37 46 1 V E +CD 260 398A 59 361,-1.4 361,-2.1 -2,-0.6 2,-0.3 -0.983 17.8 108.4-136.9 123.1 29.8 6.3 98.0 38 47 1 G E -CD 259 397A 13 221,-1.8 221,-3.9 -2,-0.4 2,-0.4 -0.853 55.9 -84.2-163.4-165.6 33.1 5.6 99.7 39 48 1 A E -CD 258 396A 20 357,-1.3 357,-1.8 219,-0.3 2,-0.5 -0.954 25.4-146.0-126.3 140.1 35.8 3.1 100.4 40 49 1 I E -CD 257 395A 0 217,-3.3 217,-1.9 -2,-0.4 2,-0.4 -0.932 18.2-174.6-110.8 127.9 36.1 0.5 103.1 41 50 1 R E -CD 256 394A 62 353,-3.0 353,-2.5 -2,-0.5 2,-0.3 -0.929 14.9-146.9-123.7 145.8 39.4 -0.4 104.7 42 51 1 L E - D 0 393A 13 213,-0.9 351,-0.3 -2,-0.4 213,-0.3 -0.696 42.1 -89.2-101.1 157.2 40.4 -3.0 107.1 43 52 1 S - 0 0 4 349,-3.4 212,-0.1 -2,-0.3 -1,-0.1 -0.304 64.3 -79.1 -61.6 157.1 43.2 -2.4 109.7 44 53 1 P - 0 0 65 0, 0.0 342,-3.2 0, 0.0 2,-0.2 -0.388 55.0-137.9 -60.1 129.0 46.6 -3.4 108.2 45 54 1 L B -I 385 0D 6 208,-1.2 340,-0.3 340,-0.3 208,-0.2 -0.589 13.3-117.1 -92.2 160.7 46.8 -7.2 108.5 46 55 1 R S S+ 0 0 102 338,-1.9 2,-0.2 -2,-0.2 205,-0.2 0.660 91.7 12.1 -69.8 -23.0 50.0 -9.1 109.5 47 56 1 R S S- 0 0 86 311,-0.4 206,-3.0 337,-0.3 -2,-0.2 -0.636 102.2 -52.6-135.2-162.0 50.4 -11.0 106.3 48 57 1 G S S- 0 0 15 204,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 -0.312 70.1 -78.5 -75.9 162.0 49.1 -11.0 102.7 49 58 1 L + 0 0 48 1,-0.2 -1,-0.1 203,-0.1 3,-0.1 -0.310 53.3 160.6 -59.5 140.6 45.4 -11.1 101.8 50 59 1 A + 0 0 59 1,-0.3 2,-0.4 308,-0.1 -1,-0.2 0.543 62.2 19.9-131.9 -40.0 43.9 -14.6 102.1 51 60 1 V S S- 0 0 42 310,-0.0 -1,-0.3 232,-0.0 2,-0.1 -0.966 70.4-126.6-148.4 128.7 40.1 -14.1 102.4 52 61 1 D - 0 0 70 -2,-0.4 2,-0.3 -3,-0.1 184,-0.2 -0.405 22.8-134.8 -69.5 139.5 37.8 -11.3 101.5 53 62 1 S E -G 235 0C 2 182,-0.9 182,-3.1 -2,-0.1 2,-0.4 -0.680 16.7-128.2 -93.7 149.7 35.4 -10.0 104.1 54 63 1 R E -GH 234 281C 34 227,-2.6 227,-2.4 -2,-0.3 2,-0.4 -0.824 19.4-155.4-103.3 140.5 31.8 -9.3 103.2 55 64 1 V E -GH 233 280C 0 178,-5.2 178,-2.6 -2,-0.4 2,-0.4 -0.952 6.7-167.0-122.7 136.8 30.1 -6.0 104.0 56 65 1 D E -GH 232 279C 0 223,-2.1 223,-1.6 -2,-0.4 2,-0.5 -0.991 1.4-170.3-125.4 124.3 26.4 -5.2 104.5 57 66 1 I E -GH 231 278C 0 174,-3.1 174,-2.5 -2,-0.4 2,-0.4 -0.966 10.8-169.5-116.3 129.0 25.0 -1.7 104.5 58 67 1 F E -GH 230 277C 0 219,-3.1 219,-2.5 -2,-0.5 2,-0.4 -0.945 13.7-167.1-125.1 140.7 21.4 -1.1 105.6 59 68 1 S E +GH 229 276C 2 170,-2.1 169,-2.1 -2,-0.4 170,-1.8 -0.991 18.6 176.0-127.7 121.5 19.0 1.8 105.5 60 69 1 F E -GH 227 275C 0 215,-3.0 215,-1.5 -2,-0.4 2,-0.5 -0.843 24.8-138.0-125.6 160.5 15.9 1.7 107.5 61 70 1 Y E +GH 226 274C 0 165,-2.6 165,-2.7 -2,-0.3 213,-0.2 -0.980 18.8 178.5-120.3 117.7 13.0 3.9 108.3 62 71 1 I E - H 0 273C 1 211,-2.3 211,-1.6 -2,-0.5 5,-0.1 -0.913 21.2-143.0-124.4 103.5 11.6 4.0 111.8 63 72 1 P E - H 0 272C 0 0, 0.0 3,-0.5 0, 0.0 4,-0.4 -0.316 19.2-122.4 -59.2 149.9 8.7 6.4 112.4 64 73 1 H S >>>S+ 0 0 21 207,-2.4 4,-2.9 1,-0.2 3,-2.3 0.845 109.6 65.1 -63.7 -41.2 8.7 8.3 115.8 65 74 1 R H 3>5S+ 0 0 49 206,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.876 96.3 59.5 -48.2 -41.8 5.2 7.0 116.7 66 75 1 H H 345S+ 0 0 8 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.757 114.7 36.0 -55.8 -30.0 6.9 3.6 116.7 67 76 1 I H <45S+ 0 0 11 -3,-2.3 -2,-0.2 -4,-0.4 -1,-0.2 0.849 129.6 26.5 -96.0 -46.0 9.2 4.9 119.4 68 77 1 Y H ><5S- 0 0 19 -4,-2.9 3,-1.6 1,-0.2 4,-0.3 0.496 86.9-170.6 -99.9 -5.7 7.1 7.3 121.6 69 78 1 G T >X< - 0 0 30 -4,-2.2 3,-1.6 -5,-0.5 4,-1.5 -0.162 69.0 -2.8 51.2-138.6 3.8 5.5 120.9 70 79 1 Q H 3> S+ 0 0 126 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.779 129.5 67.2 -53.3 -30.7 0.7 7.4 122.2 71 80 1 Q H <> S+ 0 0 93 -3,-1.6 4,-1.6 1,-0.2 -1,-0.3 0.882 103.8 44.5 -58.5 -39.2 3.1 10.1 123.7 72 81 1 W H <> S+ 0 0 19 -3,-1.6 4,-2.5 -4,-0.3 5,-0.2 0.906 109.4 55.4 -70.6 -44.7 4.1 11.1 120.2 73 82 1 I H X S+ 0 0 52 -4,-1.5 4,-1.7 1,-0.2 -2,-0.2 0.897 111.6 44.3 -53.2 -46.9 0.5 11.0 118.9 74 83 1 N H X S+ 0 0 62 -4,-2.5 4,-3.9 2,-0.2 5,-0.3 0.856 109.3 57.5 -66.5 -39.8 -0.5 13.5 121.7 75 84 1 F H X S+ 0 0 57 -4,-1.6 4,-1.8 -5,-0.2 7,-0.2 0.910 109.0 44.9 -57.3 -48.3 2.6 15.6 121.0 76 85 1 M H < S+ 0 0 94 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.862 117.5 45.1 -66.1 -39.1 1.5 16.1 117.4 77 86 1 K H < S+ 0 0 155 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.951 111.3 50.8 -68.8 -53.2 -2.1 16.8 118.4 78 87 1 D H >< S- 0 0 108 -4,-3.9 3,-0.8 1,-0.2 -2,-0.2 0.823 93.8-178.6 -54.6 -36.4 -1.2 19.1 121.3 79 88 1 G G >< + 0 0 35 -4,-1.8 3,-2.3 -5,-0.3 -1,-0.2 -0.481 54.2 9.7 76.5-137.9 1.1 21.0 118.8 80 89 1 V G 3 S+ 0 0 140 1,-0.3 -1,-0.2 -2,-0.2 -2,-0.1 0.728 134.2 44.6 -48.0 -36.1 3.2 24.0 119.8 81 90 1 N G < S+ 0 0 146 -3,-0.8 -1,-0.3 -6,-0.1 -2,-0.1 0.105 82.2 133.6-105.3 24.4 2.5 23.5 123.6 82 91 1 A < - 0 0 14 -3,-2.3 -7,-0.1 -7,-0.2 3,-0.1 -0.407 69.5 -95.5 -69.0 148.1 3.1 19.8 123.6 83 92 1 S - 0 0 89 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.0 -0.423 51.2 -97.6 -64.8 136.6 5.3 18.5 126.4 84 93 1 P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.266 36.6-108.7 -58.7 148.3 8.9 18.1 125.2 85 94 1 L - 0 0 44 -3,-0.1 27,-0.1 1,-0.1 -13,-0.0 -0.699 35.6-125.7 -79.9 109.5 10.0 14.6 124.1 86 95 1 P - 0 0 73 0, 0.0 26,-0.3 0, 0.0 -1,-0.1 -0.396 21.8-139.7 -62.6 118.6 12.4 13.3 126.9 87 96 1 P - 0 0 77 0, 0.0 2,-0.2 0, 0.0 22,-0.0 -0.105 23.8-103.3 -63.9 176.3 15.8 12.2 125.4 88 97 1 V E -J 110 0E 9 22,-5.7 22,-3.2 1,-0.0 2,-0.2 -0.617 30.9-110.3-102.8 162.4 17.6 9.0 126.7 89 98 1 T E -J 109 0E 54 20,-0.3 51,-0.9 -2,-0.2 2,-0.3 -0.638 31.4-164.8 -97.0 151.9 20.6 8.8 129.1 90 99 1 C - 0 0 8 18,-2.6 2,-0.3 -2,-0.2 50,-0.1 -0.849 21.3 -93.4-135.9 167.8 24.2 7.6 128.2 91 100 1 S - 0 0 27 5,-0.5 2,-1.1 -2,-0.3 5,-0.2 -0.589 46.7 -93.6 -89.6 143.0 27.4 6.5 129.7 92 101 1 S S S+ 0 0 115 -2,-0.3 2,-0.2 3,-0.1 -1,-0.1 -0.379 87.7 93.9 -58.6 87.7 30.5 8.6 130.5 93 102 1 G S > S- 0 0 22 -2,-1.1 3,-2.2 11,-0.0 -2,-0.1 -0.707 72.6-133.1 178.7 126.0 32.5 8.3 127.3 94 103 1 W T 3 S+ 0 0 235 1,-0.3 3,-0.2 -2,-0.2 -2,-0.1 0.660 118.8 51.7 -55.9 -16.8 32.8 10.4 124.2 95 104 1 D T 3 S+ 0 0 62 1,-0.1 -1,-0.3 8,-0.1 4,-0.2 -0.226 80.4 108.4-112.6 35.9 32.5 7.0 122.6 96 105 1 S S < S+ 0 0 0 -3,-2.2 -5,-0.5 -5,-0.2 -1,-0.1 0.140 84.4 32.9-102.0 12.2 29.4 6.2 124.6 97 106 1 A S > S+ 0 0 0 -3,-0.2 3,-5.5 51,-0.1 5,-0.5 0.282 77.7 125.8-145.0 -0.0 26.8 6.5 121.8 98 107 1 A G > + 0 0 18 1,-0.3 3,-3.5 2,-0.2 50,-0.2 0.758 69.0 60.6 -29.1 -52.4 29.1 5.2 119.1 99 108 1 Y G 3 S+ 0 0 0 48,-1.1 -79,-1.4 1,-0.3 -1,-0.3 0.681 104.4 51.4 -58.3 -16.8 26.6 2.6 118.1 100 109 1 L G < S- 0 0 1 -3,-5.5 -1,-0.3 2,-0.3 -2,-0.2 0.271 111.0-125.3-103.0 7.8 24.3 5.4 117.4 101 110 1 G S < S+ 0 0 36 -3,-3.5 2,-0.3 -4,-0.2 -3,-0.2 0.844 77.1 101.7 48.9 42.1 26.9 7.1 115.2 102 111 1 T S S- 0 0 37 -5,-0.5 -2,-0.3 -80,-0.1 -1,-0.2 -0.990 76.4-113.7-152.6 150.4 26.5 10.2 117.3 103 112 1 I - 0 0 116 -2,-0.3 -8,-0.1 -3,-0.1 -9,-0.1 -0.726 43.6-109.7 -84.8 124.0 28.4 12.1 120.1 104 113 1 P - 0 0 13 0, 0.0 4,-0.2 0, 0.0 6,-0.2 -0.393 43.6-103.3 -59.2 126.6 26.4 12.1 123.3 105 114 1 S > - 0 0 55 4,-1.3 3,-2.5 1,-0.1 5,-0.0 0.188 43.7 -85.8 -41.1 169.1 25.2 15.6 123.9 106 115 1 S T 3 S+ 0 0 130 1,-0.3 -1,-0.1 2,-0.1 0, 0.0 0.725 132.7 50.6 -56.2 -26.2 27.0 17.7 126.5 107 116 1 T T 3 S- 0 0 89 2,-0.2 -1,-0.3 -18,-0.0 -17,-0.2 0.292 118.2-111.2 -98.5 11.1 24.8 16.2 129.3 108 117 1 L S < S+ 0 0 59 -3,-2.5 -18,-2.6 1,-0.3 2,-0.3 0.863 79.9 120.8 63.4 37.7 25.4 12.6 128.1 109 118 1 K E -J 89 0E 76 -20,-0.3 -4,-1.3 -18,-0.0 -20,-0.3 -0.889 37.1-178.5-128.4 159.1 21.9 12.2 126.9 110 119 1 V E -J 88 0E 7 -22,-3.2 -22,-5.7 -2,-0.3 5,-0.1 -0.973 38.9 -66.3-154.8 161.2 20.5 11.3 123.4 111 120 1 P >> - 0 0 33 0, 0.0 4,-1.2 0, 0.0 3,-0.5 -0.291 33.4-141.1 -58.8 140.3 17.2 10.8 121.5 112 121 1 K H 3>>S+ 0 0 70 -26,-0.3 4,-3.9 1,-0.2 5,-0.7 0.774 103.9 59.4 -69.2 -32.3 15.2 7.8 122.5 113 122 1 F H 345S+ 0 0 26 1,-0.2 -1,-0.2 2,-0.2 160,-0.1 0.659 103.9 52.7 -72.6 -16.2 14.3 7.1 118.9 114 123 1 L H <>5S+ 0 0 2 -3,-0.5 4,-0.9 3,-0.2 -1,-0.2 0.840 120.0 34.0 -80.8 -39.5 18.1 6.9 118.2 115 124 1 H H X5S+ 0 0 2 -4,-1.2 4,-2.8 2,-0.2 3,-0.3 0.971 128.2 33.9 -77.5 -67.3 18.3 4.3 121.0 116 125 1 Q H X5S+ 0 0 47 -4,-3.9 4,-3.9 1,-0.2 5,-0.3 0.870 115.6 60.5 -58.3 -38.8 15.0 2.5 120.7 117 126 1 G H >X>S+ 0 0 2 -4,-1.5 5,-2.6 -3,-0.2 4,-2.4 0.927 111.5 52.4 -85.3 -48.1 18.4 -5.3 115.9 123 132 1 N H 3<5S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.555 116.8 43.3 -63.9 -9.4 15.6 -7.2 117.7 124 133 1 N H 3<5S+ 0 0 25 -4,-0.6 -1,-0.2 -5,-0.2 -2,-0.2 0.576 130.1 12.3-114.7 -16.2 13.7 -7.4 114.4 125 134 1 Y H <<5S+ 0 0 28 -3,-0.7 483,-1.4 -4,-0.6 -2,-0.2 0.459 129.5 28.9-143.2 -4.1 16.4 -8.3 111.8 126 135 1 F T <5S+ 0 0 0 -4,-2.4 28,-0.3 481,-0.2 -3,-0.2 0.684 87.8 91.5-129.4 -43.9 19.7 -9.4 113.3 127 136 1 K S - 0 0 0 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.351 35.9-120.4 -54.8 144.0 18.7 -14.7 116.3 129 138 1 P T 3 S+ 0 0 3 0, 0.0 -2,-0.1 0, 0.0 478,-0.0 0.312 109.6 45.2 -70.7 -6.6 15.0 -15.6 116.1 130 139 1 W T 3 S+ 0 0 62 2,-0.1 2,-0.1 475,-0.0 474,-0.1 0.343 99.3 102.5-110.2 -5.4 14.8 -17.9 119.2 131 140 1 S S < S- 0 0 12 -3,-0.9 2,-0.2 1,-0.1 -4,-0.0 -0.273 79.0-102.2 -78.8 160.6 16.7 -15.4 121.0 132 141 1 D - 0 0 136 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.598 40.0-102.2 -87.9 144.8 15.4 -12.8 123.6 133 142 1 D - 0 0 90 -2,-0.2 2,-1.3 1,-0.1 -1,-0.1 -0.265 28.6-111.7 -66.6 147.2 15.0 -9.0 122.7 134 143 1 L + 0 0 15 -15,-0.3 -11,-0.1 1,-0.1 -1,-0.1 -0.739 38.2 179.2 -81.2 97.0 17.4 -6.3 123.7 135 144 1 T + 0 0 127 -2,-1.3 -1,-0.1 -12,-0.0 2,-0.1 -0.151 17.4 157.3 -96.7 33.8 15.2 -4.6 126.2 136 145 1 Y - 0 0 65 1,-0.1 -17,-0.1 -21,-0.1 -2,-0.0 -0.395 30.0-160.2 -62.9 136.1 17.8 -2.1 127.1 137 146 1 A S S+ 0 0 56 1,-0.3 -1,-0.1 -2,-0.1 -21,-0.1 0.895 71.9 2.4 -84.3 -49.4 16.2 1.0 128.5 138 147 1 N S > S- 0 0 44 -50,-0.1 3,-2.6 -23,-0.1 4,-0.5 -0.939 75.8-107.6-137.9 155.0 19.1 3.4 128.0 139 148 1 P G > S+ 0 0 0 0, 0.0 3,-0.6 0, 0.0 -49,-0.2 0.708 117.6 70.4 -58.1 -16.8 22.5 3.2 126.3 140 149 1 S G 3 S+ 0 0 55 -51,-0.9 -50,-0.1 1,-0.2 4,-0.1 0.401 97.5 53.0 -79.1 5.0 23.8 3.4 129.9 141 150 1 N G < S+ 0 0 87 -3,-2.6 -1,-0.2 2,-0.1 3,-0.1 0.516 90.2 87.9-113.3 -15.3 22.3 -0.1 130.3 142 151 1 M S < S- 0 0 11 -3,-0.6 5,-0.1 -4,-0.5 -8,-0.0 -0.604 92.1 -85.6 -89.7 148.6 23.9 -1.9 127.3 143 152 1 P >> - 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0 0 0 -137,-3.5 223,-1.4 -2,-0.3 2,-0.2 -0.434 32.4 -83.8 -90.5 168.7 25.5 -9.7 114.6 154 163 1 A B -K 375 0F 0 454,-0.4 221,-0.3 -28,-0.3 -1,-0.1 -0.539 40.7-110.5 -84.8 143.2 25.1 -13.4 113.6 155 164 1 N - 0 0 10 219,-1.7 2,-0.3 -2,-0.2 -1,-0.1 -0.172 46.6 -85.5 -61.3 156.1 27.8 -15.5 111.9 156 165 1 L - 0 0 31 126,-0.4 -1,-0.1 1,-0.1 5,-0.1 -0.570 62.9 -82.9 -72.7 129.0 27.3 -16.6 108.4 157 166 1 K + 0 0 107 -2,-0.3 2,-0.2 -3,-0.1 -1,-0.1 0.004 64.3 153.7 -37.6 118.7 25.3 -19.8 108.1 158 167 1 S - 0 0 18 -3,-0.1 -1,-0.1 125,-0.0 4,-0.1 -0.534 58.5 -95.3-127.1-167.2 27.4 -22.9 108.7 159 168 1 I S > S+ 0 0 11 -2,-0.2 3,-0.6 2,-0.1 -2,-0.0 0.915 126.6 30.9 -81.7 -47.1 26.3 -26.3 109.9 160 169 1 W T 3 S+ 0 0 7 1,-0.2 -1,-0.1 2,-0.1 -3,-0.1 0.602 115.7 62.6 -85.0 -14.7 27.3 -25.6 113.6 161 170 1 T T 3 S+ 0 0 2 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.1 0.295 107.6 40.4 -96.4 6.8 26.6 -21.9 113.3 162 171 1 A S < S+ 0 0 9 -3,-0.6 440,-0.5 -5,-0.1 -1,-0.2 -0.306 79.9 174.1-149.1 54.5 22.8 -22.3 112.5 163 172 1 P - 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