==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 04-MAR-10 3M1C . COMPND 2 MOLECULE: ENVELOPE GLYCOPROTEIN H; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 2; . AUTHOR T.K.CHOWDARY,E.E.HELDWEIN . 865 7 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37830.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 565 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 66 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 3 0 1 1 1 0 0 1 2 1 0 0 2 1 2 0 2 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 1 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 PARALLEL BRIDGES PER LADDER . 3 5 2 2 6 3 0 2 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 . 1 3 0 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 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 49 A R 0 0 289 0, 0.0 2,-0.5 0, 0.0 740,-0.0 0.000 360.0 360.0 360.0 175.7 8.4 65.0 173.6 2 50 A L - 0 0 139 30,-0.1 2,-0.6 31,-0.0 0, 0.0 -0.925 360.0-167.5-125.5 115.5 10.6 68.0 174.4 3 51 A W + 0 0 32 -2,-0.5 31,-0.3 1,-0.1 737,-0.0 -0.881 17.4 159.7-106.9 118.2 13.1 69.5 172.1 4 52 A L + 0 0 74 -2,-0.6 52,-0.1 51,-0.1 27,-0.1 -0.411 15.6 179.3-139.5 64.5 15.6 72.0 173.6 5 53 A P - 0 0 4 0, 0.0 2,-1.4 0, 0.0 52,-0.3 -0.181 37.5-103.2 -67.1 153.1 18.6 72.3 171.3 6 54 A N - 0 0 82 50,-2.2 52,-0.2 25,-0.0 50,-0.0 -0.623 36.4-170.0 -88.3 85.5 21.5 74.7 172.1 7 55 A T - 0 0 25 -2,-1.4 52,-0.1 50,-0.2 12,-0.1 -0.437 24.6-122.8 -62.8 147.2 21.2 77.7 169.8 8 56 A P - 0 0 10 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.006 16.8-114.9 -83.0-166.1 24.3 79.9 170.1 9 57 A D > - 0 0 89 10,-0.1 3,-2.4 1,-0.1 9,-0.1 -0.999 21.9-116.9-138.9 132.5 24.7 83.5 171.1 10 58 A A T 3 S+ 0 0 80 -2,-0.4 6,-0.1 1,-0.3 -1,-0.1 0.688 115.9 59.1 -38.6 -24.9 25.9 86.4 168.9 11 59 A S T 3 S+ 0 0 98 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.850 73.8 118.0 -76.7 -37.9 28.9 86.6 171.4 12 60 A D < - 0 0 48 -3,-2.4 4,-0.4 1,-0.2 5,-0.1 0.037 60.3-145.3 -33.7 127.6 30.2 83.1 170.8 13 61 A P S S+ 0 0 127 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.738 91.9 26.9 -74.4 -20.9 33.7 83.3 169.4 14 62 A Q S > S+ 0 0 128 2,-0.1 3,-0.6 1,-0.0 808,-0.1 0.812 134.1 19.7-102.7 -79.6 33.1 80.2 167.3 15 63 A R G > S+ 0 0 54 1,-0.2 3,-1.5 2,-0.1 -3,-0.1 0.172 91.4 116.0 -82.4 23.1 29.5 79.4 166.2 16 64 A G G > + 0 0 9 -4,-0.4 3,-1.7 1,-0.3 -1,-0.2 0.848 64.6 58.9 -62.0 -40.9 28.6 83.0 166.9 17 65 A R G < S+ 0 0 143 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.522 99.5 65.0 -69.4 1.4 27.6 84.0 163.4 18 66 A L G < S+ 0 0 0 -3,-1.5 42,-1.4 -9,-0.1 -1,-0.3 0.203 71.0 128.3-109.0 13.6 25.1 81.2 163.6 19 67 A A < - 0 0 23 -3,-1.7 -10,-0.1 40,-0.1 3,-0.1 -0.291 68.2 -93.8 -68.5 156.0 22.9 82.7 166.4 20 68 A P - 0 0 27 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.462 46.6 -91.4 -75.9 145.5 19.1 82.9 165.6 21 69 A P > - 0 0 22 0, 0.0 3,-2.3 0, 0.0 4,-0.4 -0.286 33.9-120.5 -49.0 129.3 17.6 86.1 164.2 22 70 A G G > S+ 0 0 70 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.789 105.9 77.0 -39.9 -33.9 16.4 88.5 166.9 23 71 A E G 3 S+ 0 0 146 1,-0.3 -1,-0.3 2,-0.1 15,-0.0 0.754 87.1 57.8 -52.0 -38.7 13.0 88.2 165.4 24 72 A L G < S- 0 0 31 -3,-2.3 -1,-0.3 12,-0.1 3,-0.2 0.713 88.5-140.2 -71.4 -24.5 12.4 84.8 166.9 25 73 A N < - 0 0 123 -3,-1.5 2,-1.8 -4,-0.4 -3,-0.1 0.988 27.6-176.4 56.7 53.7 12.8 85.5 170.6 26 74 A L + 0 0 32 -5,-0.2 2,-0.2 -6,-0.1 -1,-0.2 -0.589 13.9 163.2 -84.8 77.5 14.6 82.1 170.9 27 75 A T >> - 0 0 80 -2,-1.8 4,-2.1 -3,-0.2 3,-2.1 -0.583 56.8-104.5 -86.8 160.2 15.1 82.2 174.6 28 76 A T T 34 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.820 125.1 53.1 -51.9 -27.7 15.9 79.0 176.5 29 77 A A T 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.684 114.3 39.5 -80.2 -15.7 12.3 79.1 177.7 30 78 A S T <4 S+ 0 0 24 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.704 85.6 90.6-106.6 -27.7 10.9 79.3 174.1 31 79 A V S >< S+ 0 0 3 -4,-2.1 3,-0.6 2,-0.1 -2,-0.1 0.767 83.0 61.7 -54.7 -31.9 13.1 77.0 172.1 32 80 A P T 3 S+ 0 0 23 0, 0.0 -30,-0.1 0, 0.0 -28,-0.1 0.046 82.6 67.9 -61.6-159.5 10.8 74.1 172.7 33 81 A M T 3 S- 0 0 129 3,-0.0 -2,-0.1 704,-0.0 704,-0.1 0.412 100.5-135.3 72.1 -13.1 7.5 75.0 171.2 34 82 A L < + 0 0 33 -3,-0.6 701,-0.0 -31,-0.3 0, 0.0 -0.280 54.3 146.6 49.3-137.1 9.4 74.7 168.0 35 83 A R + 0 0 181 1,-0.0 -1,-0.1 3,-0.0 700,-0.0 0.957 18.9 144.6 71.9 53.6 8.5 77.7 165.8 36 84 A W + 0 0 0 -3,-0.0 2,-0.2 7,-0.0 -12,-0.1 0.475 25.9 119.2-100.6 -8.9 12.0 77.9 164.2 37 85 A Y + 0 0 60 5,-0.0 2,-0.3 -13,-0.0 5,-0.1 -0.427 30.7 169.5 -66.8 125.9 10.9 79.0 160.7 38 86 A A > - 0 0 3 3,-0.4 3,-3.0 730,-0.3 -14,-0.0 -0.929 30.4-139.3-135.2 116.5 12.2 82.4 159.5 39 87 A E T 3 S+ 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 24,-0.1 0.821 101.1 45.5 -38.1 -60.6 11.6 83.2 155.8 40 88 A R T 3 S+ 0 0 217 22,-0.1 23,-1.9 23,-0.1 24,-0.4 0.422 112.7 68.5 -67.8 4.9 15.0 84.8 155.1 41 89 A F E < -A 62 0A 47 -3,-3.0 2,-0.4 21,-0.3 -3,-0.4 -0.884 60.2-152.8-131.8 152.8 16.8 82.0 156.9 42 90 A C E -A 61 0A 2 19,-3.3 19,-2.7 -2,-0.3 2,-0.3 -0.991 21.0-157.6-119.3 133.5 17.6 78.3 156.8 43 91 A F E -Ab 60 769A 0 725,-1.5 727,-3.4 -2,-0.4 2,-0.5 -0.847 5.5-153.7-110.4 151.1 18.1 76.5 160.1 44 92 A V E -Ab 59 770A 0 15,-2.3 15,-2.7 -2,-0.3 2,-1.0 -0.961 3.8-158.2-124.9 111.0 20.1 73.2 160.6 45 93 A L E -Ab 58 771A 2 725,-1.8 727,-1.2 -2,-0.5 2,-0.4 -0.756 17.4-168.3 -89.4 98.9 19.1 71.1 163.6 46 94 A V E +Ab 57 772A 1 11,-2.0 11,-1.0 -2,-1.0 2,-0.3 -0.726 11.4 172.2 -91.3 134.5 22.1 69.0 164.4 47 95 A T E - b 0 773A 2 725,-1.7 727,-1.2 -2,-0.4 2,-0.1 -0.998 11.3-160.2-137.9 142.4 22.0 66.0 166.8 48 96 A T > - 0 0 27 -2,-0.3 3,-1.2 6,-0.3 6,-0.1 -0.227 42.5 -76.0-109.0-166.7 24.7 63.4 167.4 49 97 A A T 3 S+ 0 0 65 1,-0.2 726,-0.1 781,-0.1 781,-0.0 0.787 119.4 65.3 -63.4 -26.9 24.9 59.9 168.9 50 98 A E T 3> S+ 0 0 139 2,-0.1 4,-1.7 3,-0.0 3,-0.3 0.210 81.5 174.2 -88.0 14.7 24.5 61.1 172.5 51 99 A F T <4 + 0 0 59 -3,-1.2 -4,-0.0 1,-0.3 2,-0.0 -0.414 57.3 15.6 -63.3 137.6 20.9 62.4 172.2 52 100 A P T 4 S+ 0 0 92 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.995 121.6 57.3 -90.6 -18.6 19.2 63.5 174.4 53 101 A R T 4 S+ 0 0 242 -3,-0.3 -2,-0.2 1,-0.3 -3,-0.0 0.858 119.2 41.1 -43.2 -42.4 21.9 64.0 177.1 54 102 A D S < S- 0 0 65 -4,-1.7 -6,-0.3 1,-0.1 -1,-0.3 -0.915 85.9-161.4-101.9 104.5 23.4 66.2 174.3 55 103 A P - 0 0 50 0, 0.0 -51,-0.1 0, 0.0 -2,-0.1 0.434 35.6-125.6 -72.2 0.9 20.2 67.9 173.1 56 104 A G - 0 0 3 -51,-0.1 -50,-2.2 -52,-0.1 2,-0.3 0.192 26.6 -83.8 72.3 164.6 22.0 68.8 169.9 57 105 A Q E -A 46 0A 33 -11,-1.0 -11,-2.0 -52,-0.3 2,-0.5 -0.694 20.4-141.2-110.6 158.4 22.3 72.3 168.5 58 106 A L E -A 45 0A 0 -2,-0.3 2,-0.3 -52,-0.2 -13,-0.2 -0.961 24.7-166.4-117.3 112.4 20.2 74.5 166.3 59 107 A L E -A 44 0A 0 -15,-2.7 -15,-2.3 -2,-0.5 2,-0.4 -0.728 5.2-153.0-105.7 150.1 22.1 76.6 163.8 60 108 A Y E +A 43 0A 1 -42,-1.4 -17,-0.2 -2,-0.3 763,-0.1 -0.972 16.6 167.9-129.1 124.4 21.0 79.6 161.7 61 109 A I E -A 42 0A 2 -19,-2.7 -19,-3.3 -2,-0.4 2,-0.2 -0.994 37.4-115.0-131.2 136.9 22.2 80.8 158.3 62 110 A P E > -A 41 0A 24 0, 0.0 3,-2.1 0, 0.0 4,-0.3 -0.528 27.6-125.2 -67.2 134.6 20.6 83.4 156.0 63 111 A K G >> S+ 0 0 19 -23,-1.9 3,-3.0 1,-0.3 4,-0.6 0.853 106.5 65.9 -48.7 -42.6 19.5 81.8 152.7 64 112 A T G >4 S+ 0 0 89 -24,-0.4 3,-0.6 1,-0.3 -1,-0.3 0.744 90.7 64.5 -56.2 -25.2 21.5 84.3 150.7 65 113 A Y G <4 S+ 0 0 37 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.595 104.2 47.2 -74.4 -10.1 24.7 82.9 152.1 66 114 A L G <4 0 0 8 -3,-3.0 -1,-0.2 -4,-0.3 -2,-0.2 0.545 360.0 360.0-102.2 -10.6 23.8 79.6 150.3 67 115 A L << 0 0 101 -4,-0.6 -1,-0.1 -3,-0.6 696,-0.0 -0.833 360.0 360.0-108.8 360.0 23.0 81.2 147.0 68 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 69 137 A A 0 0 121 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.3 35.5 73.4 128.9 70 138 A E + 0 0 83 1,-0.2 111,-0.5 110,-0.0 2,-0.3 0.810 360.0 11.9-108.1 -44.4 35.5 69.9 127.7 71 139 A V S S+ 0 0 5 109,-0.1 2,-0.4 129,-0.0 -1,-0.2 -0.808 74.0 172.4-144.6 99.2 35.0 67.5 130.7 72 140 A T E -F 179 0B 56 107,-1.8 107,-3.5 -2,-0.3 2,-0.4 -0.894 30.6-128.7-118.7 136.2 34.1 69.1 134.0 73 141 A Q E -F 178 0B 48 -2,-0.4 2,-0.9 105,-0.2 105,-0.2 -0.642 21.5-140.8 -75.2 130.4 33.1 67.6 137.4 74 142 A L - 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0 0 174 -5,-2.3 2,-0.4 -6,-0.1 -1,-0.3 -0.157 56.3-119.5 -77.5 171.6 36.1 20.9 96.2 438 509 A A - 0 0 69 49,-0.0 2,-1.1 1,-0.0 3,-0.4 -0.901 7.4-138.4-115.9 143.1 36.8 22.7 99.5 439 510 A L + 0 0 28 -2,-0.4 -6,-0.0 1,-0.2 -10,-0.0 -0.423 66.0 117.8 -96.5 60.3 34.9 25.7 100.8 440 511 A T + 0 0 81 -2,-1.1 -1,-0.2 4,-0.1 5,-0.1 0.639 26.1 113.8-108.6 -20.3 38.1 27.5 102.0 441 512 A A >> - 0 0 46 -3,-0.4 4,-2.3 1,-0.1 3,-0.9 -0.323 68.6-129.7 -57.3 130.4 38.4 30.7 100.0 442 513 A P H 3> S+ 0 0 78 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.875 109.0 55.2 -51.5 -40.1 38.0 33.6 102.5 443 514 A M H 3> S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.867 109.4 48.6 -61.8 -36.9 35.5 35.3 100.3 444 515 A V H <> S+ 0 0 29 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.927 111.2 47.6 -68.5 -46.9 33.5 32.0 100.3 445 516 A R H X S+ 0 0 22 -4,-2.3 4,-3.1 68,-0.2 -2,-0.2 0.924 110.1 52.1 -62.8 -44.9 33.6 31.6 104.1 446 517 A R H X S+ 0 0 64 -4,-2.7 4,-1.8 -5,-0.2 5,-0.2 0.906 111.7 48.0 -58.1 -39.0 32.5 35.2 104.7 447 518 A A H X S+ 0 0 1 -4,-1.5 4,-2.0 -5,-0.3 -2,-0.2 0.924 111.5 49.1 -67.5 -40.5 29.6 34.6 102.4 448 519 A L H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 5,-0.3 0.880 107.8 58.2 -66.4 -35.3 28.7 31.4 104.1 449 520 A F H X S+ 0 0 17 -4,-3.1 4,-1.6 63,-0.2 3,-0.2 0.979 112.8 33.9 -56.1 -62.8 28.9 33.2 107.4 450 521 A Y H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.778 114.6 59.3 -68.7 -27.1 26.3 35.9 106.7 451 522 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.891 108.9 42.6 -71.7 -39.0 24.1 33.7 104.6 452 523 A T H X S+ 0 0 12 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.830 111.7 57.4 -70.2 -30.0 23.6 31.2 107.4 453 524 A A H X S+ 0 0 8 -4,-1.6 4,-1.2 -5,-0.3 -2,-0.2 0.889 108.1 47.7 -63.5 -36.5 23.1 34.3 109.6 454 525 A V H < S+ 0 0 2 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.852 109.4 49.5 -74.7 -41.3 20.3 35.3 107.3 455 526 A L H < S+ 0 0 11 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.630 115.0 48.3 -75.3 -12.2 18.5 32.0 107.2 456 527 A R H >X S+ 0 0 28 -4,-0.9 3,-1.7 -3,-0.2 4,-1.1 0.711 87.3 85.9 -95.2 -28.5 18.7 31.9 111.0 457 528 A A H 3X S+ 0 0 11 -4,-1.2 4,-1.2 1,-0.3 5,-0.2 0.776 82.1 57.9 -51.5 -41.0 17.5 35.4 111.8 458 529 A P H 34 S+ 0 0 19 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.809 103.3 54.8 -61.5 -29.6 13.7 34.6 111.8 459 530 A F H X4 S+ 0 0 9 -3,-1.7 3,-0.7 1,-0.2 4,-0.2 0.889 107.1 49.9 -70.7 -39.0 14.2 32.0 114.5 460 531 A L H 3< S+ 0 0 36 -4,-1.1 -1,-0.2 1,-0.2 -3,-0.1 0.704 110.0 50.4 -67.8 -24.8 15.9 34.6 116.7 461 532 A A T 3< S- 0 0 62 -4,-1.2 -1,-0.2 1,-0.1 -2,-0.2 0.469 118.7-117.5 -93.1 -3.7 13.0 37.0 116.2 462 533 A G S < S+ 0 0 41 -3,-0.7 -2,-0.1 -4,-0.3 -1,-0.1 0.391 78.0 44.0 84.4 141.8 10.6 34.3 117.1 463 534 A A - 0 0 99 -4,-0.2 -4,-0.1 1,-0.1 2,-0.1 0.951 67.2-157.9 65.1 69.8 7.8 32.5 115.1 464 535 A P - 0 0 38 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.381 17.7-109.0 -82.0 156.3 9.1 31.7 111.6 465 536 A S > - 0 0 55 1,-0.1 4,-2.8 -2,-0.1 5,-0.3 -0.343 29.9-107.5 -76.3 161.3 6.9 31.1 108.5 466 537 A A H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.844 126.1 47.5 -53.5 -33.9 6.5 27.6 107.0 467 538 A E H > S+ 0 0 138 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.885 111.0 50.3 -77.2 -36.1 8.6 28.9 104.1 468 539 A Q H > S+ 0 0 66 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.846 112.1 46.8 -69.7 -36.7 11.2 30.3 106.6 469 540 A R H X S+ 0 0 70 -4,-2.8 4,-2.8 2,-0.2 3,-0.5 0.944 111.8 50.2 -68.3 -49.8 11.5 27.1 108.5 470 541 A E H X S+ 0 0 94 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.902 109.4 52.2 -56.1 -43.1 11.8 25.0 105.4 471 542 A R H X S+ 0 0 46 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.828 114.5 41.0 -64.3 -33.3 14.5 27.2 104.0 472 543 A A H X S+ 0 0 6 -4,-1.1 4,-1.9 -3,-0.5 -1,-0.2 0.808 108.2 60.1 -86.9 -32.1 16.6 27.0 107.2 473 544 A R H X S+ 0 0 23 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.891 107.6 46.5 -59.9 -40.3 16.0 23.3 107.7 474 545 A R H X S+ 0 0 83 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.869 109.9 53.3 -72.9 -35.2 17.6 22.6 104.4 475 546 A G H X S+ 0 0 8 -4,-1.0 4,-2.4 2,-0.2 -1,-0.2 0.800 111.1 47.6 -67.6 -29.6 20.5 24.9 105.2 476 547 A L H X S+ 0 0 14 -4,-1.9 4,-2.3 2,-0.2 46,-0.3 0.861 108.4 51.9 -78.4 -38.9 21.0 23.0 108.4 477 548 A L H X S+ 0 0 13 -4,-2.3 4,-1.5 2,-0.2 196,-0.2 0.915 115.6 46.3 -60.3 -37.5 20.9 19.6 106.7 478 549 A I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.957 111.4 45.7 -70.9 -55.0 23.5 21.0 104.4 479 550 A T H X S+ 0 0 2 -4,-2.4 4,-1.2 1,-0.2 42,-0.2 0.884 112.4 53.4 -62.1 -35.0 25.9 22.6 106.8 480 551 A T H < S+ 0 0 4 -4,-2.3 191,-0.4 1,-0.2 3,-0.3 0.906 110.8 47.1 -61.1 -41.2 25.7 19.5 109.0 481 552 A A H < S+ 0 0 0 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.873 108.4 54.9 -64.5 -38.9 26.7 17.5 105.8 482 553 A L H < S+ 0 0 3 -4,-2.6 2,-1.3 1,-0.2 -1,-0.2 0.744 95.5 73.9 -64.5 -26.8 29.5 20.0 105.1 483 554 A b < + 0 0 0 -4,-1.2 -1,-0.2 -3,-0.3 2,-0.1 -0.580 65.9 160.1 -93.2 70.8 30.9 19.4 108.5 484 555 A T > - 0 0 11 -2,-1.3 4,-2.6 -3,-0.1 186,-0.2 -0.364 58.9 -98.7 -79.4 170.0 32.5 16.0 108.2 485 556 A S H > S+ 0 0 4 184,-2.8 4,-2.5 1,-0.2 5,-0.2 0.890 126.0 53.1 -55.0 -40.0 35.1 14.7 110.5 486 557 A D H > S+ 0 0 98 183,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.926 108.4 47.1 -66.6 -45.4 37.7 15.7 107.9 487 558 A V H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.5 53.6 -61.7 -40.7 36.4 19.3 107.6 488 559 A A H X S+ 0 0 4 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.965 108.8 46.3 -56.6 -56.3 36.4 19.5 111.4 489 560 A A H X S+ 0 0 2 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.842 114.9 50.3 -54.5 -34.6 40.0 18.4 111.8 490 561 A A H X S+ 0 0 40 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.899 103.4 56.4 -72.3 -41.7 40.9 20.9 109.1 491 562 A T H X S+ 0 0 2 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.805 105.7 53.4 -66.7 -24.7 39.0 23.7 110.6 492 563 A H H X S+ 0 0 18 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.889 110.4 46.7 -70.6 -41.5 41.2 23.2 113.8 493 564 A A H X S+ 0 0 29 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.890 112.3 49.6 -68.5 -40.9 44.4 23.4 111.7 494 565 A D H X S+ 0 0 50 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.925 113.4 44.7 -63.4 -49.4 43.2 26.5 109.8 495 566 A L H X S+ 0 0 8 -4,-1.8 4,-2.6 2,-0.2 5,-0.3 0.894 112.7 51.8 -62.8 -42.2 42.2 28.5 112.9 496 567 A R H X S+ 0 0 80 -4,-2.0 4,-1.4 1,-0.2 -1,-0.2 0.881 113.5 45.4 -61.2 -37.8 45.4 27.4 114.7 497 568 A A H X S+ 0 0 48 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.795 111.3 53.3 -76.4 -28.1 47.3 28.7 111.7 498 569 A A H X S+ 0 0 1 -4,-1.8 4,-1.0 2,-0.2 3,-0.3 0.927 108.6 47.1 -73.4 -48.3 45.3 31.9 111.5 499 570 A L H < S+ 0 0 65 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.871 107.9 58.1 -59.0 -41.1 45.9 32.9 115.1 500 571 A A H < S+ 0 0 83 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.875 105.4 50.8 -55.7 -40.1 49.5 32.2 114.7 501 572 A R H < S+ 0 0 142 -4,-1.2 2,-0.2 -3,-0.3 -1,-0.2 0.758 93.4 93.0 -71.5 -26.7 49.7 34.7 111.8 502 573 A T < + 0 0 23 -4,-1.0 6,-0.2 -3,-0.5 7,-0.1 -0.479 35.9 170.7 -83.4 135.7 48.0 37.6 113.7 503 574 A D - 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0 0 115 -2,-0.2 -2,-0.1 -47,-0.1 -1,-0.0 -0.708 42.2-101.1 -82.8 138.8 51.5 21.0 112.5 541 612 A R + 0 0 245 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.319 50.2 175.4 -57.3 138.4 54.0 20.2 115.2 542 613 A S - 0 0 48 2,-0.3 -1,-0.1 -3,-0.0 7,-0.0 -0.653 44.5 -98.4-130.5-166.2 54.6 23.0 117.7 543 614 A D S S+ 0 0 168 -2,-0.2 -2,-0.1 2,-0.1 3,-0.0 -0.037 84.5 108.5-106.2 27.5 56.5 23.7 120.9 544 615 A I S S- 0 0 60 1,-0.1 -2,-0.3 2,-0.0 5,-0.0 -0.889 80.5-101.6-105.4 132.4 53.6 23.0 123.2 545 616 A P >> - 0 0 76 0, 0.0 4,-2.6 0, 0.0 3,-1.0 -0.187 32.6-117.0 -46.3 140.8 53.5 19.8 125.4 546 617 A A H 3> S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.871 113.8 54.0 -49.3 -42.7 51.3 17.1 123.9 547 618 A D H 3> S+ 0 0 122 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.782 112.3 44.7 -69.6 -25.9 48.9 17.1 126.9 548 619 A V H <> S+ 0 0 46 -3,-1.0 4,-3.2 2,-0.2 5,-0.3 0.920 108.7 52.5 -82.8 -50.6 48.4 20.8 126.5 549 620 A M H X S+ 0 0 24 -4,-2.6 4,-2.2 1,-0.3 -2,-0.2 0.872 110.2 52.2 -55.9 -34.2 47.9 21.0 122.7 550 621 A A H X S+ 0 0 20 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.3 0.908 110.9 46.8 -64.1 -40.8 45.3 18.4 123.2 551 622 A Q H X S+ 0 0 95 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.903 110.1 52.1 -70.1 -39.6 43.7 20.6 125.9 552 623 A Q H X S+ 0 0 85 -4,-3.2 4,-1.4 2,-0.2 -1,-0.2 0.919 110.3 50.5 -58.8 -44.3 43.9 23.6 123.7 553 624 A T H >X S+ 0 0 7 -4,-2.2 4,-3.2 -5,-0.3 3,-0.6 0.945 106.2 52.8 -57.6 -53.4 42.1 21.6 120.9 554 625 A R H 3X S+ 0 0 105 -4,-2.2 4,-2.2 1,-0.3 -1,-0.2 0.854 107.2 55.3 -52.8 -35.2 39.3 20.4 123.1 555 626 A G H 3X S+ 0 0 6 -4,-1.6 4,-1.2 2,-0.2 -1,-0.3 0.861 111.1 41.8 -69.0 -36.4 38.7 24.0 124.1 556 627 A V H > - 0 0 19 -2,-1.0 4,-1.8 1,-0.2 3,-0.8 -0.937 26.7-148.6-105.8 123.0 21.1 27.8 119.2 567 638 A N H 3> S+ 0 0 76 -2,-0.5 4,-3.2 1,-0.2 5,-0.2 0.951 97.0 58.2 -54.8 -47.8 18.3 27.0 121.6 568 639 A A H 3> S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.769 108.0 45.1 -53.9 -32.9 15.7 28.4 119.1 569 640 A L H X> S+ 0 0 6 -3,-0.8 4,-1.5 2,-0.2 3,-0.6 0.947 113.9 46.1 -78.7 -53.2 16.8 25.9 116.3 570 641 A I H >X S+ 0 0 27 -4,-1.8 4,-1.0 1,-0.2 3,-0.8 0.946 111.6 54.7 -50.2 -49.5 16.9 22.8 118.4 571 642 A R H 3< S+ 0 0 126 -4,-3.2 -1,-0.2 -5,-0.3 -2,-0.2 0.829 113.8 43.2 -49.5 -34.8 13.6 23.9 119.9 572 643 A A H << S+ 0 0 27 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.607 115.7 42.1 -93.6 -19.3 12.2 24.0 116.3 573 644 A F H << S+ 0 0 5 -4,-1.5 -2,-0.2 -3,-0.8 -1,-0.2 0.262 93.0 83.5-121.5 11.0 13.6 20.9 114.7 574 645 A V S < S- 0 0 21 -4,-1.0 2,-0.2 -5,-0.2 -1,-0.1 -0.955 81.1-132.4-108.7 110.2 13.1 18.4 117.5 575 646 A P - 0 0 21 0, 0.0 2,-0.3 0, 0.0 59,-0.2 -0.452 23.9-166.6 -62.7 122.5 9.5 17.2 117.2 576 647 A E - 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