==== 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 VIRAL PROTEIN 01-MAY-06 2GUM . COMPND 2 MOLECULE: GLYCOPROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 1; . AUTHOR E.E.HELDWEIN . 1732 9 15 9 6 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 76293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1122 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 493 28.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 . 154 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 1.2 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 4 4 4 1 3 3 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 6 3 3 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 PARALLEL BRIDGES PER LADDER . 17 14 20 3 16 17 0 0 0 0 2 1 0 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 7 3 3 3 3 0 3 0 3 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 1 111 A A 0 0 103 0, 0.0 2,-0.3 0, 0.0 430,-0.3 0.000 360.0 360.0 360.0 48.3 67.2 52.7 42.7 2 112 A N - 0 0 68 495,-0.2 2,-0.2 428,-0.1 428,-0.2 -0.967 360.0-130.2-131.4 144.0 66.1 49.6 44.4 3 113 A F E -A 429 0A 2 426,-1.9 426,-1.9 -2,-0.3 2,-0.4 -0.625 20.0-160.6 -97.4 158.1 64.9 46.4 42.6 4 114 A Y E -Ab 428 475A 54 470,-1.9 472,-4.1 424,-0.2 2,-0.5 -0.993 15.6-154.6-142.7 146.7 61.7 44.4 43.3 5 115 A V E -Ab 427 476A 2 422,-1.6 422,-2.6 -2,-0.4 472,-0.1 -0.983 16.7-160.5-115.8 124.3 60.4 41.0 42.7 6 116 A a - 0 0 16 470,-0.5 472,-0.2 -2,-0.5 420,-0.2 -0.856 7.4-149.2-116.0 100.9 56.6 40.9 42.5 7 117 A P - 0 0 53 0, 0.0 417,-0.1 0, 0.0 3,-0.1 -0.235 41.2 -79.3 -60.8 152.9 55.0 37.4 43.1 8 118 A P - 0 0 104 0, 0.0 415,-0.1 0, 0.0 407,-0.1 -0.296 54.8-114.6 -55.3 128.9 51.7 36.6 41.3 9 119 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 415,-0.1 -0.363 30.5-155.8 -67.3 145.4 48.9 38.3 43.3 10 120 A T > - 0 0 80 413,-0.2 3,-1.1 -3,-0.1 413,-0.2 -0.800 39.2 -95.2-116.5 161.5 46.4 35.9 45.0 11 121 A G T 3 S+ 0 0 14 -2,-0.3 3,-0.1 1,-0.3 412,-0.1 0.599 101.5 105.4 -51.8 -5.7 42.9 36.6 46.0 12 122 A A T 3 S+ 0 0 80 1,-0.2 2,-0.5 410,-0.1 -1,-0.3 0.887 86.3 20.4 -39.8 -60.8 44.6 37.3 49.3 13 123 A T S < S- 0 0 67 -3,-1.1 410,-2.2 410,-0.4 2,-0.4 -0.972 71.0-177.7-122.5 128.6 44.2 41.1 49.0 14 124 A V E -F 422 0B 14 -2,-0.5 1668,-1.3 408,-0.3 2,-0.3 -0.985 3.4-172.9-127.4 131.6 41.7 42.9 46.8 15 125 A V E -Fg 4211682B 7 406,-3.7 406,-2.7 -2,-0.4 2,-0.3 -0.852 6.6-164.9-123.0 159.0 41.3 46.6 46.3 16 126 A Q E - g 01683B 2 1666,-2.3 1668,-2.7 -2,-0.3 2,-0.3 -0.892 29.0-104.6-133.8 163.1 38.9 48.9 44.5 17 127 A F E - g 01684B 1 -2,-0.3 1668,-0.2 1666,-0.2 2,-0.1 -0.690 37.9-105.9 -90.8 145.4 39.1 52.6 43.5 18 128 A E - 0 0 51 1666,-2.0 1668,-0.3 -2,-0.3 3,-0.1 -0.433 40.8-126.1 -65.6 140.3 37.2 55.2 45.4 19 129 A Q - 0 0 82 1,-0.2 -1,-0.1 -2,-0.1 367,-0.0 -0.331 43.6 -57.7 -85.5 170.3 34.2 56.4 43.4 20 130 A P - 0 0 71 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.187 55.1-134.1 -49.5 128.8 33.3 60.0 42.5 21 131 A R - 0 0 91 361,-0.2 2,-0.6 -3,-0.1 365,-0.1 -0.456 26.2-100.8 -81.2 155.5 32.9 62.3 45.5 22 132 A R - 0 0 243 -2,-0.1 -1,-0.1 1,-0.0 361,-0.0 -0.689 44.2-134.8 -76.8 118.7 30.0 64.7 45.7 23 133 A b - 0 0 28 -2,-0.6 356,-0.1 1,-0.1 357,-0.0 -0.519 20.5-103.4 -79.2 144.5 31.4 68.1 44.7 24 134 A P - 0 0 79 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.044 34.8-132.4 -55.5 164.7 30.6 71.2 46.7 25 135 A T - 0 0 120 0, 0.0 3,-0.1 0, 0.0 354,-0.0 -0.894 23.8 -97.4-123.1 153.9 28.1 73.7 45.3 26 136 A R - 0 0 137 -2,-0.3 346,-0.0 1,-0.1 350,-0.0 -0.525 47.5-106.5 -71.2 132.1 28.4 77.5 45.0 27 137 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.111 34.1-102.8 -54.1 155.3 26.7 79.3 47.9 28 138 A E - 0 0 207 1,-0.1 -2,-0.1 -3,-0.1 2,-0.1 0.911 56.1-120.9 -46.6 -56.3 23.4 81.1 47.1 29 139 A G - 0 0 50 2,-0.0 -1,-0.1 0, 0.0 2,-0.0 0.125 26.9 -80.1 114.0 129.8 24.8 84.6 46.9 30 140 A Q - 0 0 84 1,-0.1 2,-0.6 -2,-0.1 234,-0.1 -0.310 37.9-133.8 -65.3 138.3 23.9 87.7 48.9 31 141 A N - 0 0 141 232,-0.2 232,-0.5 -2,-0.0 2,-0.3 -0.824 24.1-164.9 -95.3 118.6 20.8 89.6 47.9 32 142 A Y - 0 0 90 -2,-0.6 2,-0.5 230,-0.1 230,-0.2 -0.817 10.3-150.2-108.0 145.4 21.4 93.4 47.8 33 143 A T B -I 261 0C 53 228,-2.7 228,-1.9 -2,-0.3 307,-0.1 -0.952 16.5-135.3-113.6 125.7 18.8 96.2 47.7 34 144 A E + 0 0 67 -2,-0.5 305,-2.2 226,-0.2 2,-0.3 -0.396 40.9 144.0 -73.6 156.0 19.6 99.5 46.0 35 145 A G E -J 338 0C 1 303,-0.3 224,-2.4 222,-0.2 2,-0.4 -0.976 46.6-106.2-179.9 168.5 18.7 102.6 47.8 36 146 A I E -J 337 0C 0 301,-2.2 301,-3.4 -2,-0.3 2,-0.4 -0.880 37.8-171.3-110.8 144.5 19.6 106.2 48.7 37 147 A A E -JK 336 256C 0 219,-2.0 219,-3.3 -2,-0.4 2,-0.4 -0.988 21.3-161.7-142.8 151.2 20.9 107.1 52.1 38 148 A V E -JK 335 255C 0 297,-2.2 297,-3.3 -2,-0.4 2,-0.5 -0.997 18.1-150.2-126.5 131.6 21.7 110.0 54.3 39 149 A V E -JK 334 254C 0 215,-2.8 214,-2.8 -2,-0.4 215,-1.3 -0.901 9.4-162.8-110.0 125.6 23.9 109.6 57.3 40 150 A F E -JK 333 252C 0 293,-3.6 293,-2.1 -2,-0.5 2,-0.3 -0.739 3.5-165.3-105.2 153.9 23.5 111.7 60.4 41 151 A K E - K 0 251C 9 210,-2.3 210,-2.5 -2,-0.3 291,-0.1 -0.885 39.5 -75.8-131.3 161.8 26.0 112.2 63.2 42 152 A E E - K 0 250C 20 289,-0.3 2,-0.5 -2,-0.3 208,-0.3 -0.322 52.9-121.6 -55.7 134.9 25.9 113.6 66.7 43 153 A N + 0 0 41 206,-2.3 -1,-0.1 1,-0.1 307,-0.0 -0.722 38.9 167.2 -85.1 128.1 25.8 117.4 66.4 44 154 A I + 0 0 28 -2,-0.5 -1,-0.1 2,-0.1 -2,-0.1 0.282 42.8 108.5-120.5 5.6 28.7 119.1 68.2 45 155 A A S S- 0 0 40 1,-0.1 1090,-0.1 3,-0.0 2,-0.1 -0.668 72.4-116.8 -86.3 138.2 28.3 122.5 66.8 46 156 A P - 0 0 7 0, 0.0 2,-0.4 0, 0.0 125,-0.2 -0.390 32.9-100.1 -70.9 150.4 26.9 125.3 69.1 47 157 A Y E -P 170 0D 37 123,-3.5 123,-2.0 -2,-0.1 2,-0.4 -0.595 47.9-159.9 -70.6 127.5 23.6 126.9 68.3 48 158 A K E +P 169 0D 109 -2,-0.4 2,-0.3 121,-0.2 121,-0.2 -0.924 22.4 149.9-119.8 139.2 24.4 130.2 66.7 49 159 A F E -P 168 0D 25 119,-2.0 119,-2.5 -2,-0.4 2,-0.2 -0.983 41.0-102.0-157.8 158.1 22.4 133.4 66.2 50 160 A K E +P 167 0D 148 -2,-0.3 189,-0.3 117,-0.2 2,-0.3 -0.557 38.2 172.1 -88.9 150.4 22.9 137.1 66.0 51 161 A A E -P 166 0D 3 115,-1.9 115,-3.2 -2,-0.2 2,-0.4 -0.980 24.9-128.7-151.8 160.3 22.2 139.6 68.8 52 162 A T E -PQ 165 237D 12 185,-3.0 185,-2.4 -2,-0.3 2,-0.5 -0.939 14.6-150.7-118.4 139.2 22.7 143.2 69.6 53 163 A M E -PQ 164 236D 1 111,-3.7 111,-2.6 -2,-0.4 2,-0.5 -0.917 9.4-171.6-109.6 131.4 24.4 144.6 72.8 54 164 A Y E +PQ 163 235D 1 181,-3.6 181,-2.0 -2,-0.5 28,-1.4 -0.974 29.0 124.0-124.8 117.5 23.4 148.0 74.2 55 165 A Y E -PR 162 81D 9 107,-2.6 107,-3.2 -2,-0.5 2,-0.4 -0.987 46.5-121.1-164.1 163.0 25.4 149.4 77.0 56 166 A K E -PR 161 80D 4 24,-3.5 24,-2.8 -2,-0.3 2,-1.0 -0.937 17.0-131.2-120.6 137.2 27.4 152.4 78.1 57 167 A D E -PR 160 79D 33 103,-2.2 103,-1.4 -2,-0.4 2,-0.7 -0.707 27.5-163.8 -83.5 102.3 31.1 152.7 79.1 58 168 A V E +PR 159 78D 2 20,-1.4 20,-2.4 -2,-1.0 2,-0.4 -0.780 12.4 175.5 -93.3 112.2 31.0 154.7 82.4 59 169 A T E +PR 158 77D 8 99,-1.7 99,-1.7 -2,-0.7 2,-0.4 -0.952 12.6 178.5-120.3 133.4 34.4 156.2 83.3 60 170 A V E -PR 157 76D 2 16,-2.3 16,-1.7 -2,-0.4 97,-0.2 -0.918 13.9-167.6-133.8 106.9 35.1 158.4 86.3 61 171 A S E -PR 156 75D 1 95,-2.3 95,-1.6 83,-0.4 2,-0.4 -0.486 11.3-148.8 -92.4 162.1 38.8 159.4 86.7 62 172 A Q E -PR 155 74D 12 12,-2.1 11,-2.7 93,-0.2 12,-1.1 -0.996 18.4-176.2-131.8 125.2 40.5 161.1 89.7 63 173 A V E -PR 154 72D 1 91,-2.6 91,-2.0 -2,-0.4 2,-0.6 -0.975 17.7-156.8-128.7 137.6 43.5 163.4 89.0 64 174 A W E -PR 153 71D 73 7,-2.5 7,-1.9 -2,-0.4 2,-0.6 -0.952 19.9-143.6-111.8 117.9 45.8 165.2 91.4 65 175 A F E - R 0 70D 11 87,-1.6 86,-2.4 -2,-0.6 87,-0.3 -0.703 18.2-168.8 -86.5 120.7 47.4 168.2 89.7 66 176 A G - 0 0 1 3,-2.2 84,-0.1 -2,-0.6 3,-0.1 -0.398 34.4-101.9 -96.2 179.1 51.0 168.8 90.8 67 177 A H S S+ 0 0 125 1,-0.2 -1,-0.1 -2,-0.1 83,-0.1 0.999 117.9 19.2 -64.5 -66.5 53.1 171.8 90.1 68 178 A R S S+ 0 0 227 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.171 135.1 8.3 -91.1 16.6 55.3 170.4 87.3 69 179 A Y - 0 0 63 -3,-0.1 -3,-2.2 2,-0.0 2,-0.3 -0.980 62.8-120.2-173.2-178.0 53.0 167.5 86.4 70 180 A S E -R 65 0D 20 1204,-0.3 1206,-2.1 -2,-0.3 2,-0.4 -0.986 24.0-167.3-141.2 144.7 49.6 165.8 86.8 71 181 A Q E -R 64 0D 3 -7,-1.9 -7,-2.5 -2,-0.3 2,-0.2 -0.995 22.6-121.5-143.3 137.8 48.9 162.2 88.0 72 182 A F E -R 63 0D 3 -2,-0.4 -9,-0.2 -9,-0.2 3,-0.1 -0.505 19.3-175.8 -71.9 136.6 46.0 159.8 88.0 73 183 A M E S- 0 0 18 -11,-2.7 1168,-0.3 1,-0.5 2,-0.3 0.544 70.7 -19.3-106.7 -16.2 45.1 158.6 91.5 74 184 A G E -R 62 0D 15 -12,-1.1 -12,-2.1 1166,-0.1 -1,-0.5 -0.921 48.9-148.9 178.7 157.7 42.5 156.2 90.2 75 185 A I E -R 61 0D 21 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.656 14.6-158.7-144.5 85.3 40.3 155.4 87.2 76 186 A F E -R 60 0D 29 -16,-1.7 -16,-2.3 578,-0.5 2,-0.4 -0.456 15.7-175.8 -66.0 129.6 36.9 153.8 87.9 77 187 A E E +R 59 0D 120 -18,-0.2 2,-0.3 -2,-0.2 -18,-0.2 -0.995 9.6 157.9-131.4 128.5 35.6 152.0 84.9 78 188 A D E -R 58 0D 18 -20,-2.4 -20,-1.4 -2,-0.4 2,-0.4 -0.860 34.3-126.7-142.3 174.7 32.2 150.3 84.6 79 189 A R E -R 57 0D 60 -2,-0.3 -22,-0.2 -22,-0.2 -2,-0.0 -0.990 22.3-164.6-129.5 121.2 29.6 149.1 82.1 80 190 A A E -R 56 0D 0 -24,-2.8 -24,-3.5 -2,-0.4 155,-0.2 -0.891 18.5-124.8-110.4 136.2 26.0 150.2 82.4 81 191 A P E -R 55 0D 18 0, 0.0 -26,-0.2 0, 0.0 21,-0.2 -0.353 24.4-119.1 -72.3 155.3 23.1 148.5 80.6 82 192 A V - 0 0 0 -28,-1.4 5,-0.1 19,-0.1 -28,-0.1 -0.888 33.2-113.2-101.4 121.1 20.8 150.7 78.4 83 193 A P >> - 0 0 46 0, 0.0 4,-1.3 0, 0.0 3,-0.7 -0.083 21.1-116.6 -50.5 142.7 17.1 150.7 79.6 84 194 A F H >> S+ 0 0 32 1,-0.3 4,-2.5 2,-0.2 3,-2.0 0.938 114.5 52.1 -41.7 -66.8 14.4 149.1 77.4 85 195 A E H 3>>S+ 0 0 90 1,-0.3 4,-2.6 2,-0.2 5,-0.6 0.784 108.0 52.1 -42.7 -39.3 12.6 152.3 76.8 86 196 A E H <4>S+ 0 0 7 -3,-0.7 5,-2.3 3,-0.2 4,-0.4 0.735 110.5 46.7 -75.9 -23.5 15.8 154.0 75.6 87 197 A V H <<>S+ 0 0 1 -3,-2.0 5,-4.6 -4,-1.3 6,-0.4 0.890 119.8 41.6 -80.1 -43.6 16.7 151.3 73.1 88 198 A I H <>S+ 0 0 50 -4,-2.5 5,-0.9 -5,-0.2 -2,-0.2 0.996 128.4 25.2 -63.9 -69.2 13.1 151.4 71.8 89 199 A D T <5S+ 0 0 87 -4,-2.6 -3,-0.2 3,-0.2 -2,-0.1 0.830 135.9 25.1 -69.8 -37.8 12.4 155.2 71.8 90 200 A K T >XS+ 0 0 19 -5,-0.6 6,-2.3 -4,-0.4 5,-1.3 0.903 129.3 27.9 -97.4 -51.2 15.9 156.6 71.4 91 201 A I H > -Z 100 0F 48 -2,-0.4 3,-2.1 -13,-0.2 -13,-0.2 -0.948 28.9-115.8-114.1 126.3 26.8 162.7 83.3 114 224 A H G > S- 0 0 20 -15,-3.0 3,-2.2 -2,-0.5 44,-0.2 -0.315 103.5 -1.3 -57.8 138.0 29.3 162.7 80.4 115 225 A R G 3 S- 0 0 102 42,-1.2 -1,-0.3 1,-0.3 43,-0.1 0.478 118.1 -88.9 59.5 -2.0 31.7 165.6 80.9 116 226 A D G < S+ 0 0 63 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.833 95.7 126.2 67.3 33.5 29.7 166.2 84.0 117 227 A D < - 0 0 93 -3,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.432 68.0 -60.9-108.4-175.4 27.3 168.5 82.0 118 228 A H - 0 0 165 -2,-0.2 -1,-0.2 1,-0.1 -19,-0.1 -0.362 67.5 -83.6 -70.3 150.8 23.5 168.5 81.5 119 229 A E + 0 0 98 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.1 -0.265 56.3 172.1 -56.9 130.5 21.8 165.5 79.9 120 230 A T - 0 0 80 -3,-0.1 -21,-2.4 -23,-0.1 2,-0.3 -0.973 34.6-118.5-140.1 150.3 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>< S+ 0 0 75 -4,-2.1 3,-0.7 2,-0.2 4,-0.5 0.947 110.9 49.8 -60.8 -47.8 40.9 115.3 74.6 1712 695 C K H >< S+ 0 0 131 -4,-2.5 3,-1.1 1,-0.3 -2,-0.2 0.934 113.2 47.3 -55.9 -45.3 38.6 118.1 75.7 1713 696 C D H 3< S+ 0 0 47 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.673 90.4 82.7 -71.6 -17.3 39.3 117.2 79.3 1714 697 C S T << S+ 0 0 44 -4,-1.3 2,-0.4 -3,-0.7 -1,-0.2 0.715 71.3 94.3 -61.5 -19.5 43.1 117.0 78.8 1715 698 C G S < S- 0 0 31 -3,-1.1 3,-0.1 -4,-0.5 -1090,-0.0 -0.610 73.8-142.2 -77.9 129.4 43.3 120.7 79.2 1716 699 C L S S+ 0 0 13 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.941 87.6 26.4 -54.5 -55.4 44.1 121.8 82.7 1717 700 C L S S- 0 0 15 -3,-0.1 2,-0.7 -954,-0.0 -1161,-0.3 -0.946 71.7-151.0-115.0 132.7 41.8 124.9 82.7 1718 701 C D > - 0 0 50 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.901 5.1-155.8-103.3 111.0 38.7 125.2 80.5 1719 702 C Y H > S+ 0 0 22 -2,-0.7 4,-2.6 1,-0.2 5,-0.2 0.877 93.6 50.7 -51.6 -48.1 38.0 128.8 79.6 1720 703 C T H > S+ 0 0 15 -582,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.936 113.4 46.7 -57.9 -46.3 34.3 128.3 78.9 1721 704 C E H > S+ 0 0 100 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.886 112.7 48.5 -63.8 -40.8 34.0 126.5 82.3 1722 705 C V H X S+ 0 0 3 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.872 115.4 44.8 -69.1 -37.3 35.9 129.2 84.2 1723 706 C Q H X S+ 0 0 36 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.936 110.9 52.1 -70.9 -48.3 33.9 132.0 82.6 1724 707 C R H < S+ 0 0 12 -4,-2.8 4,-0.3 -5,-0.2 -2,-0.2 0.946 116.7 40.8 -52.1 -52.0 30.5 130.3 83.1 1725 708 C R H >< S+ 0 0 30 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.906 113.8 50.5 -65.3 -46.6 31.3 129.8 86.8 1726 709 C N H >< S+ 0 0 68 -4,-2.3 3,-1.1 1,-0.3 4,-0.2 0.799 106.6 54.8 -65.6 -30.1 33.0 133.2 87.5 1727 710 C Q T 3< S+ 0 0 54 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.560 97.8 65.2 -81.8 -5.1 30.1 135.2 86.0 1728 711 C L T <> S+ 0 0 5 -3,-1.1 4,-1.1 -4,-0.3 -1,-0.2 0.319 74.2 100.6 -94.5 8.3 27.7 133.4 88.3 1729 712 C H H <> S+ 0 0 43 -3,-1.1 4,-3.3 1,-0.2 3,-0.5 0.933 82.6 41.1 -59.6 -51.4 29.3 135.0 91.3 1730 713 C D H > S+ 0 0 79 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.901 112.9 54.5 -65.6 -40.4 26.8 137.8 91.9 1731 714 C L H 4 S+ 0 0 31 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.724 119.1 35.5 -66.0 -19.9 23.8 135.5 91.2 1732 715 C R H < S+ 0 0 7 -4,-1.1 -1023,-2.4 -3,-0.5 -2,-0.2 0.835 132.0 22.8-100.4 -42.4 25.2 133.2 93.9 1733 716 C F H < S+ 0 0 2 -4,-3.3 2,-0.3 -5,-0.2 -3,-0.2 0.266 118.9 44.1-111.6 11.4 26.7 135.4 96.5 1734 717 C A S < S- 0 0 14 -4,-1.9 2,-0.6 -5,-0.2 -1011,-0.2 -0.961 72.1-113.4-151.1 167.8 24.9 138.7 96.0 1735 718 C D + 0 0 51 -1013,-1.8 -1011,-0.3 -2,-0.3 3,-0.2 -0.921 26.1 175.9-104.9 121.2 21.6 140.5 95.3 1736 719 C I S S+ 0 0 30 -2,-0.6 2,-0.6 1,-0.2 -1629,-0.2 0.674 71.9 57.9 -96.9 -21.4 21.6 142.2 92.0 1737 720 C D S S+ 0 0 60 -1630,-0.1 2,-0.2 2,-0.0 -1,-0.2 -0.709 81.0 90.4-114.5 80.7 18.0 143.4 92.1 1738 721 C T - 0 0 51 -2,-0.6 2,-0.4 -3,-0.2 -3,-0.1 -0.743 47.2-165.4-171.6 118.3 17.6 145.6 95.2 1739 722 C V 0 0 83 -2,-0.2 -1631,-0.2 -1631,-0.0 -1632,-0.1 -0.924 360.0 360.0-111.3 134.2 18.1 149.3 95.5 1740 723 C I 0 0 138 -1633,-1.6 -1631,-0.4 -2,-0.4 -2,-0.0 -0.790 360.0 360.0-115.6 360.0 18.4 150.9 98.9