==== 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 SERINE PROTEASE 10-FEB-97 1VZV . COMPND 2 MOLECULE: VARICELLA-ZOSTER VIRUS PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN HERPESVIRUS 3; . AUTHOR X.QIU,C.A.JASON,J.S.CULP,S.B.RICHARDSON,C.DEBOUCK,W.W.SMITH, . 211 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11042.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 16.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 0 0 1 0 0 2 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 11 A E 0 0 166 0, 0.0 2,-0.2 0, 0.0 137,-0.0 0.000 360.0 360.0 360.0 105.3 65.6 20.3 57.1 2 12 A A - 0 0 9 136,-0.2 2,-0.4 66,-0.1 66,-0.2 -0.534 360.0-134.5-107.1 173.0 64.7 18.0 54.2 3 13 A L E -A 67 0A 1 64,-1.5 64,-2.5 -2,-0.2 2,-0.4 -0.954 11.8-150.2-125.6 143.5 61.6 16.5 52.7 4 14 A Y E -AB 66 137A 22 133,-2.7 133,-2.1 -2,-0.4 2,-0.4 -0.949 11.0-165.3-115.2 136.5 61.2 12.9 51.7 5 15 A V E +AB 65 136A 0 60,-1.7 60,-2.4 -2,-0.4 2,-0.3 -0.959 9.5 176.8-121.0 139.4 58.9 12.2 48.8 6 16 A A E +AB 64 135A 0 129,-2.2 129,-2.0 -2,-0.4 2,-0.3 -0.993 18.2 117.2-144.6 142.2 57.7 8.6 48.1 7 17 A G E -A 63 0A 0 56,-1.5 56,-3.2 -2,-0.3 2,-0.5 -0.961 61.8 -66.4 178.2 179.6 55.2 7.3 45.5 8 18 A Y E -A 62 0A 0 123,-0.6 54,-0.3 125,-0.5 101,-0.2 -0.791 25.0-152.8 -92.4 131.8 55.0 4.9 42.5 9 19 A L S S- 0 0 0 52,-1.7 102,-0.4 -2,-0.5 2,-0.3 0.865 81.9 -16.5 -67.7 -32.5 56.8 5.9 39.3 10 20 A A - 0 0 0 51,-0.8 2,-0.6 121,-0.1 -1,-0.3 -0.957 62.7-119.4-169.3 147.3 54.1 4.0 37.4 11 21 A L > - 0 0 7 -2,-0.3 4,-1.5 49,-0.2 10,-0.3 -0.866 46.4-102.0 -99.4 125.9 51.4 1.4 37.9 12 22 A Y T 4 S- 0 0 54 47,-2.0 2,-1.7 -2,-0.6 10,-0.1 -0.221 95.9 -18.3 -49.1 115.4 52.0 -1.8 35.9 13 23 A S T >4 S+ 0 0 38 8,-0.8 3,-2.7 1,-0.1 -1,-0.2 -0.479 119.0 86.7 85.6 -64.2 49.7 -1.6 32.9 14 24 A K T 34 S+ 0 0 59 -2,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.711 74.6 68.1 -36.9 -44.4 47.2 1.1 34.2 15 25 A D T 3< S- 0 0 6 -4,-1.5 -1,-0.3 1,-0.1 4,-0.2 0.674 103.5-136.4 -55.5 -20.1 49.3 4.1 33.0 16 26 A E <> - 0 0 53 -3,-2.7 4,-1.3 3,-0.1 -1,-0.1 -0.150 39.4 -13.0 89.8 178.2 48.4 3.0 29.4 17 27 A G T 4 S+ 0 0 40 2,-0.2 2,-2.5 1,-0.1 4,-0.0 0.134 120.6 1.1 -46.1 164.7 50.3 2.6 26.1 18 28 A E T 4 S+ 0 0 191 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.319 130.6 57.4 53.7 -75.6 53.8 4.1 25.4 19 29 A L T 4 S+ 0 0 35 -2,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.726 84.8 124.0 -47.3 -30.1 54.0 5.5 28.9 20 30 A N < - 0 0 48 -4,-1.3 2,-0.4 -5,-0.1 -8,-0.1 -0.084 47.0-162.0 -43.3 126.6 53.5 1.9 30.0 21 31 A I - 0 0 6 -10,-0.3 -8,-0.8 -4,-0.0 -6,-0.1 -0.883 11.5-177.2-111.6 143.2 56.2 0.5 32.2 22 32 A T >> - 0 0 53 -2,-0.4 4,-2.1 -10,-0.1 3,-1.7 -0.964 39.8 -99.8-141.9 162.5 56.6 -3.3 32.7 23 33 A P H 3>>S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 5,-0.6 0.820 117.0 59.6 -48.2 -46.3 58.8 -5.8 34.7 24 34 A E H 345S+ 0 0 174 1,-0.2 4,-0.5 2,-0.2 5,-0.1 0.821 115.7 41.0 -53.2 -28.1 61.2 -6.6 31.9 25 35 A I H <>5S+ 0 0 47 -3,-1.7 4,-2.9 3,-0.2 -1,-0.2 0.883 115.1 47.0 -86.9 -48.1 61.9 -2.9 32.1 26 36 A V H X5S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.994 114.6 43.8 -57.2 -68.5 61.9 -2.4 35.8 27 37 A R H <5S+ 0 0 59 -4,-1.7 -1,-0.2 2,-0.2 -3,-0.2 0.800 117.2 47.2 -48.2 -41.1 64.2 -5.3 36.8 28 38 A S H 4 S- d 0 123A 0 6,-2.3 3,-1.8 3,-0.3 84,-0.1 -0.875 95.2 -1.7-106.3 133.0 60.8 20.5 38.8 41 51 A D T 3 S- 0 0 50 82,-1.8 -1,-0.2 -2,-0.4 3,-0.1 0.597 120.9 -73.2 67.3 14.7 59.0 20.7 35.4 42 52 A H T 3 S+ 0 0 76 1,-0.2 2,-0.8 -3,-0.2 -1,-0.3 0.579 87.4 161.2 71.4 13.0 61.7 18.4 33.9 43 53 A R X - 0 0 83 -3,-1.8 3,-2.7 3,-0.2 -3,-0.3 -0.548 32.0-163.4 -71.7 104.4 64.0 21.4 34.1 44 54 A K T 3 S+ 0 0 170 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.789 95.5 53.1 -55.4 -31.6 67.6 20.0 33.9 45 55 A D T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.0 2,-0.1 0.316 105.3 60.3 -86.5 3.2 68.6 23.4 35.3 46 56 A C < + 0 0 0 -3,-2.7 -6,-2.3 -6,-0.1 2,-0.4 -0.510 63.4 150.5-134.3 68.0 66.2 23.0 38.1 47 57 A V E +C 39 0A 39 -3,-0.3 -8,-0.3 -8,-0.3 3,-0.1 -0.813 12.6 173.5 -97.8 138.1 67.1 19.9 40.2 48 58 A V E - 0 0 0 -10,-3.0 20,-0.7 -2,-0.4 2,-0.3 0.193 60.2 -14.9-133.0 13.8 66.2 20.1 43.9 49 59 A G E -CE 38 67A 0 -11,-0.8 -11,-1.9 18,-0.2 2,-0.3 -0.959 65.3-108.1 172.6-168.6 67.0 16.6 45.3 50 60 A E E -CE 37 66A 19 16,-1.8 16,-1.9 -2,-0.3 2,-0.3 -0.963 27.7-106.7-155.9 135.6 67.7 13.0 44.3 51 61 A V E - E 0 65A 12 -15,-1.6 14,-0.3 -2,-0.3 -15,-0.2 -0.442 29.3-168.5 -57.5 117.2 65.9 9.7 44.3 52 62 A I E - 0 0 18 12,-1.1 2,-0.2 -2,-0.3 13,-0.2 0.626 65.7 -3.7 -88.2 -10.1 67.6 7.8 47.1 53 63 A A E - E 0 64A 13 11,-1.5 11,-2.4 -17,-0.1 2,-0.4 -0.883 50.8-166.1-178.4 146.2 66.0 4.4 46.2 54 64 A I E - E 0 63A 18 -2,-0.2 2,-0.3 9,-0.2 9,-0.2 -0.999 15.4-177.6-138.9 127.1 63.5 2.6 43.9 55 65 A I E - E 0 62A 10 7,-2.7 7,-1.9 -2,-0.4 2,-0.6 -0.742 30.7-108.2-118.1 179.8 62.2 -0.9 44.4 56 66 A E E - E 0 61A 100 -2,-0.3 2,-0.2 5,-0.2 -2,-0.0 -0.931 34.9-166.2-114.2 113.2 59.9 -3.1 42.5 57 67 A D - 0 0 14 3,-2.7 3,-0.1 -2,-0.6 93,-0.0 -0.633 37.5-110.7 -97.1 156.8 56.4 -3.6 44.0 58 68 A I S S+ 0 0 156 1,-0.2 -1,-0.1 -2,-0.2 92,-0.0 0.861 125.5 38.7 -49.8 -34.7 53.8 -6.2 43.1 59 69 A R S S- 0 0 72 1,-0.3 -47,-2.0 -48,-0.1 -1,-0.2 0.686 129.6 -64.6 -89.8 -28.4 51.9 -3.1 41.8 60 70 A G S S- 0 0 0 -49,-0.2 -3,-2.7 -3,-0.1 2,-0.3 -0.972 73.6 -32.8 163.4-176.6 54.8 -1.1 40.3 61 71 A P E - E 0 56A 0 0, 0.0 -52,-1.7 0, 0.0 -51,-0.8 -0.597 54.7-165.7 -70.3 132.2 58.1 0.8 40.8 62 72 A F E -AE 8 55A 0 -7,-1.9 -7,-2.7 -2,-0.3 2,-0.3 -0.978 9.7-171.6-119.5 129.8 57.9 2.5 44.3 63 73 A F E -AE 7 54A 0 -56,-3.2 -56,-1.5 -2,-0.4 2,-0.3 -0.836 20.5-160.2-125.3 165.8 60.5 5.3 45.1 64 74 A L E +AE 6 53A 0 -11,-2.4 -11,-1.5 -2,-0.3 -12,-1.1 -0.968 21.8 173.6-137.0 141.5 61.7 7.4 47.9 65 75 A G E -AE 5 51A 0 -60,-2.4 -60,-1.7 -2,-0.3 2,-0.4 -0.960 27.2-122.4-147.9 167.0 63.7 10.6 47.3 66 76 A I E -AE 4 50A 0 -16,-1.9 -16,-1.8 -2,-0.3 2,-0.5 -0.944 13.5-170.7-117.7 132.8 65.2 13.5 49.1 67 77 A V E +AE 3 49A 0 -64,-2.5 -64,-1.5 -2,-0.4 2,-0.5 -0.932 20.8 158.0-121.2 95.4 64.3 17.2 48.3 68 78 A R + 0 0 47 -20,-0.7 104,-3.4 -2,-0.5 -66,-0.1 -0.856 16.3 136.3-123.1 88.0 66.7 19.3 50.3 69 79 A C > - 0 0 3 -2,-0.5 4,-0.8 102,-0.2 3,-0.2 -0.933 38.9-159.4-135.9 108.2 66.9 22.7 48.5 70 80 A P H >> S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 3,-0.7 0.897 92.4 54.7 -59.1 -34.3 66.8 25.7 50.8 71 81 A Q H 3> S+ 0 0 32 101,-0.4 4,-2.3 1,-0.2 5,-0.3 0.888 94.5 67.4 -67.3 -36.2 65.6 28.0 48.0 72 82 A L H 3> S+ 0 0 0 1,-0.2 4,-0.7 -3,-0.2 -1,-0.2 0.814 107.8 39.9 -53.3 -33.7 62.6 25.8 47.1 73 83 A H H - 0 0 165 1,-0.1 3,-2.5 2,-0.1 -1,-0.1 -0.328 35.2 -94.3 -68.9 162.5 50.0 35.7 51.0 82 92 A S T 3 S+ 0 0 125 1,-0.3 -1,-0.1 -4,-0.0 -2,-0.1 0.592 125.5 43.6 -51.0 -16.0 50.3 37.2 54.5 83 93 A N T 3 + 0 0 128 4,-0.0 2,-0.6 0, 0.0 -1,-0.3 0.182 67.2 124.1-123.6 21.7 47.5 34.9 55.5 84 94 A F S < S+ 0 0 88 -3,-2.5 -4,-0.0 2,-0.0 0, 0.0 -0.739 84.4 27.1 -73.8 124.3 48.1 31.5 54.0 85 95 A F S S- 0 0 40 -2,-0.6 12,-0.0 4,-0.0 0, 0.0 0.617 89.7-129.1 87.8 118.4 47.9 29.7 57.3 86 96 A G >> - 0 0 33 1,-0.1 4,-0.9 4,-0.0 3,-0.6 0.051 36.8 -88.3 -79.7-157.7 45.9 31.1 60.1 87 97 A N H 3> S+ 0 0 126 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.652 123.4 75.7 -87.3 -12.5 47.1 31.7 63.6 88 98 A R H 34 S+ 0 0 209 1,-0.2 -1,-0.2 2,-0.2 -3,-0.0 0.625 101.4 43.0 -68.4 -13.8 45.9 28.2 64.3 89 99 A D H X> S+ 0 0 26 -3,-0.6 4,-3.1 3,-0.1 3,-1.4 0.726 102.0 65.7 -97.9 -37.7 49.1 27.3 62.4 90 100 A S H 3< S+ 0 0 66 -4,-0.9 2,-2.7 1,-0.3 -2,-0.2 0.985 101.8 52.7 -47.3 -56.2 51.2 29.9 64.2 91 101 A V T 3< S+ 0 0 119 -4,-2.3 -1,-0.3 1,-0.2 -4,-0.1 -0.137 128.1 13.4 -78.8 49.1 50.7 27.9 67.2 92 102 A L T <4 S+ 0 0 145 -2,-2.7 -2,-0.2 -3,-1.4 -1,-0.2 0.305 98.4 80.4 177.5 -30.5 51.8 24.7 65.6 93 103 A S < + 0 0 28 -4,-3.1 -1,-0.4 1,-0.1 -4,-0.0 -0.813 29.8 156.2-109.4 141.2 53.7 24.6 62.2 94 104 A P S S- 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.694 87.7 -11.5-116.3 -52.8 57.5 25.3 61.6 95 105 A L S > S+ 0 0 21 2,-0.0 4,-2.1 3,-0.0 3,-0.5 0.002 121.6 83.1-135.9 -11.2 59.0 23.7 58.3 96 106 A E H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -3,-0.1 0.575 83.5 63.3 -72.6 -13.8 55.7 21.7 58.1 97 107 A R H > S+ 0 0 64 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.747 100.6 48.4 -80.4 -26.0 54.6 24.9 56.5 98 108 A A H >> S+ 0 0 5 -3,-0.5 4,-2.5 2,-0.2 3,-0.8 0.971 112.3 49.5 -73.5 -52.2 57.1 24.3 53.7 99 109 A L H 3X S+ 0 0 20 -4,-2.1 4,-1.7 1,-0.3 -2,-0.2 0.801 107.8 53.7 -53.3 -37.9 55.8 20.8 53.4 100 110 A Y H 3X S+ 0 0 113 -4,-1.3 4,-1.2 2,-0.2 -1,-0.3 0.834 112.5 44.1 -66.1 -39.5 52.2 22.1 53.3 101 111 A L H S- 0 0 22 -20,-0.2 3,-0.6 -120,-0.1 -2,-0.3 -0.465 82.5-120.5 -85.5 158.6 50.6 8.2 34.5 130 149 A V T 3 S+ 0 0 41 1,-0.2 76,-0.2 -119,-0.2 77,-0.1 0.557 101.7 28.4 -76.4 -18.7 47.8 6.8 36.6 131 150 A G T 3 S+ 0 0 0 -123,-0.1 -123,-0.6 75,-0.1 2,-0.5 0.186 81.0 124.3-125.6 20.0 49.1 6.4 40.2 132 151 A T < + 0 0 2 -3,-0.6 -23,-1.8 -123,-0.1 2,-0.2 0.079 31.5 119.9 -70.4 19.2 51.6 9.2 40.1 133 152 A V B -G 108 0A 4 -2,-0.5 -125,-0.5 70,-0.4 2,-0.3 -0.628 51.0-152.3 -81.8 146.5 50.3 11.2 43.1 134 153 A V - 0 0 8 -27,-2.5 2,-0.4 -2,-0.2 -127,-0.2 -0.832 14.4-139.2-124.4 163.9 53.0 11.5 45.8 135 154 A N E -B 6 0A 33 -129,-2.0 -129,-2.2 -2,-0.3 2,-0.3 -0.931 16.3-166.9-118.6 140.6 53.4 12.0 49.5 136 155 A Y E +B 5 0A 5 -2,-0.4 2,-0.3 -131,-0.2 -131,-0.2 -0.956 19.7 144.5-123.9 145.4 55.9 14.3 51.1 137 156 A D E -B 4 0A 53 -133,-2.1 -133,-2.7 -2,-0.3 6,-0.1 -0.921 54.9 -94.8-163.0-174.7 57.0 14.4 54.8 138 157 A C S S+ 0 0 41 -2,-0.3 -136,-0.2 -135,-0.2 3,-0.1 0.079 100.1 41.7-107.7 29.0 60.0 15.0 57.0 139 158 A T S >> S- 0 0 43 -135,-0.1 3,-2.3 1,-0.1 4,-1.3 -0.886 80.3-120.7-164.3 136.3 61.3 11.4 57.6 140 159 A P H >> S+ 0 0 24 0, 0.0 4,-1.6 0, 0.0 3,-0.6 0.886 112.6 54.8 -49.8 -44.1 61.6 8.5 55.2 141 160 A E H 34 S+ 0 0 99 1,-0.2 4,-0.1 2,-0.2 18,-0.0 0.629 108.7 50.5 -68.6 -10.6 59.4 6.3 57.2 142 161 A S H <4 S+ 0 0 27 -3,-2.3 -1,-0.2 2,-0.2 -6,-0.1 0.702 101.3 58.1 -96.2 -25.9 56.6 8.9 57.1 143 162 A S H << S+ 0 0 0 -4,-1.3 -137,-0.2 -3,-0.6 -2,-0.2 0.928 119.3 33.5 -68.3 -39.3 56.6 9.6 53.4 144 163 A I S >< S+ 0 0 3 -4,-1.6 3,-1.2 1,-0.2 -1,-0.2 0.547 94.9 91.0 -92.1 -10.9 55.9 5.9 52.9 145 164 A E T 3 S+ 0 0 137 1,-0.2 -1,-0.2 -5,-0.2 -2,-0.1 0.825 83.6 53.2 -55.1 -38.2 53.8 5.5 56.0 146 165 A P T 3 S+ 0 0 23 0, 0.0 2,-1.3 0, 0.0 65,-1.0 0.404 73.2 105.0 -78.2 -6.7 50.4 6.3 54.3 147 166 A F B < -H 209 0B 0 -3,-1.2 3,-0.4 62,-0.2 62,-0.2 -0.687 54.0-167.2 -78.4 96.1 50.5 3.9 51.3 148 167 A R S S+ 0 0 134 60,-2.8 -1,-0.2 -2,-1.3 60,-0.1 0.614 81.0 45.0 -60.1 -21.1 47.9 1.3 52.7 149 168 A V S S+ 0 0 75 58,-0.3 -1,-0.2 59,-0.1 2,-0.1 0.759 83.1 105.5 -92.7 -33.0 48.7 -1.4 50.1 150 169 A L S S- 0 0 5 -3,-0.4 5,-0.0 1,-0.1 -3,-0.0 -0.309 78.3-115.8 -55.6 118.8 52.5 -1.2 50.2 151 170 A S >> - 0 0 43 1,-0.1 4,-3.0 -2,-0.1 3,-0.6 -0.188 7.7-127.1 -56.5 147.6 53.7 -4.3 52.1 152 171 A M H 3> S+ 0 0 146 1,-0.3 4,-2.9 2,-0.2 5,-0.1 0.866 115.6 60.2 -64.0 -30.6 55.6 -3.9 55.4 153 172 A E H 3> S+ 0 0 173 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.831 111.0 39.5 -62.0 -36.9 58.2 -6.1 53.8 154 173 A S H <> S+ 0 0 14 -3,-0.6 4,-2.0 2,-0.2 5,-0.2 0.866 113.0 52.7 -77.8 -49.5 58.6 -3.4 51.0 155 174 A K H X S+ 0 0 33 -4,-3.0 4,-2.0 1,-0.2 3,-0.2 0.964 110.8 51.5 -54.2 -43.7 58.3 -0.4 53.4 156 175 A A H X S+ 0 0 47 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.884 105.2 53.8 -56.7 -52.0 61.1 -2.1 55.3 157 176 A R H X S+ 0 0 130 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.866 109.1 47.3 -54.8 -44.1 63.4 -2.6 52.3 158 177 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -3,-0.2 5,-0.2 0.954 107.4 56.9 -64.1 -50.7 63.3 1.1 51.3 159 178 A L H X S+ 0 0 55 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.801 109.5 46.4 -51.3 -33.4 64.0 2.3 54.9 160 179 A S H X S+ 0 0 68 -4,-1.5 4,-1.6 2,-0.2 3,-0.3 0.941 107.7 53.3 -76.0 -49.3 67.1 0.2 54.9 161 180 A L H X S+ 0 0 37 -4,-2.0 4,-2.0 1,-0.3 3,-0.4 0.897 107.8 55.5 -51.2 -38.7 68.4 1.3 51.6 162 181 A V H < S+ 0 0 20 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.912 99.3 58.9 -62.3 -42.0 68.0 4.8 52.9 163 182 A K H < S+ 0 0 176 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.875 106.6 48.2 -56.9 -37.3 70.1 4.0 55.9 164 183 A D H < S+ 0 0 121 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.998 87.9 102.7 -61.8 -63.0 73.0 3.2 53.5 165 184 A Y < - 0 0 32 -4,-2.0 2,-0.4 -113,-0.2 3,-0.4 0.150 52.8-173.5 -26.9 99.9 72.5 6.4 51.6 166 185 A A + 0 0 87 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.841 63.0 65.8-102.1 142.7 75.1 8.8 52.6 167 186 A G > + 0 0 26 -2,-0.4 3,-0.9 3,-0.0 -1,-0.2 0.359 52.8 135.4 120.3 9.3 74.8 12.3 51.2 168 187 A L T 3 S+ 0 0 86 -3,-0.4 -166,-0.1 1,-0.2 -2,-0.1 0.186 72.4 58.4 -74.0 23.4 71.6 13.0 53.1 169 188 A N T 3 S+ 0 0 120 2,-0.0 -1,-0.2 -101,-0.0 -3,-0.0 0.596 71.8 119.3-113.7 -40.7 73.3 16.4 53.9 170 189 A K < - 0 0 102 -3,-0.9 2,-0.6 1,-0.1 -102,-0.1 -0.074 53.3-152.4 -29.3 114.5 73.8 17.5 50.3 171 190 A V - 0 0 72 -102,-0.1 2,-0.5 -104,-0.0 -102,-0.2 -0.914 6.6-140.9-105.7 114.9 71.8 20.8 49.9 172 191 A W - 0 0 37 -104,-3.4 2,-0.5 -2,-0.6 -101,-0.4 -0.629 17.2-160.2 -72.9 118.9 70.6 21.5 46.4 173 192 A K + 0 0 149 -2,-0.5 2,-0.3 -104,-0.2 -126,-0.1 -0.922 20.1 161.7-107.6 123.0 70.9 25.1 45.5 174 193 A V - 0 0 14 -2,-0.5 2,-0.6 -128,-0.1 -103,-0.1 -0.673 44.5 -98.6-120.3 179.8 68.9 26.7 42.7 175 194 A S >> - 0 0 69 -2,-0.3 3,-3.2 1,-0.1 4,-1.8 -0.881 14.9-134.2-119.3 113.1 68.3 30.4 42.4 176 195 A E H 3> S+ 0 0 77 -2,-0.6 4,-3.1 1,-0.3 5,-0.2 0.646 105.9 57.3 -19.1 -50.6 65.1 32.1 43.6 177 196 A D H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.833 118.1 30.8 -58.7 -40.8 65.0 34.2 40.3 178 197 A K H <> S+ 0 0 61 -3,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.660 116.6 58.8 -89.9 -23.7 65.0 31.1 38.1 179 198 A L H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.916 103.2 52.8 -71.4 -40.2 63.1 29.0 40.7 180 199 A A H < S+ 0 0 49 -4,-3.1 4,-0.4 -5,-0.3 -1,-0.2 0.681 111.1 49.1 -69.0 -17.1 60.3 31.5 40.6 181 200 A K H > S+ 0 0 146 -5,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.812 110.5 46.6 -90.2 -39.4 60.2 31.1 36.8 182 201 A V H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.933 116.7 46.4 -68.7 -39.3 60.2 27.3 36.8 183 202 A L H X S+ 0 0 8 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.734 112.3 49.6 -72.9 -25.4 57.5 27.4 39.5 184 203 A L H >> S+ 0 0 101 -4,-0.4 4,-2.1 -5,-0.2 3,-0.6 0.836 106.3 59.5 -77.2 -34.3 55.5 30.0 37.6 185 204 A S H 3X S+ 0 0 27 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.743 98.6 55.2 -65.7 -26.2 55.9 27.8 34.5 186 205 A T H 3< S+ 0 0 2 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.810 110.6 47.4 -78.7 -22.2 54.1 24.9 36.1 187 206 A A H XX S+ 0 0 41 -3,-0.6 3,-1.5 -4,-0.6 4,-0.6 0.958 112.1 46.3 -76.7 -56.6 51.1 27.2 36.7 188 207 A V H >< S+ 0 0 74 -4,-2.1 3,-1.3 1,-0.3 2,-0.8 0.942 112.3 52.5 -50.4 -52.2 50.9 28.8 33.3 189 208 A N T 3< S+ 0 0 102 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.1 -0.053 117.5 37.5 -77.0 32.0 51.2 25.3 31.6 190 209 A N T X4 S+ 0 0 39 -3,-1.5 3,-0.7 -2,-0.8 -1,-0.2 0.266 78.4 107.3-161.3 2.6 48.4 23.9 33.7 191 210 A M T << S+ 0 0 118 -3,-1.3 -2,-0.1 -4,-0.6 -3,-0.1 0.819 80.4 52.4 -61.2 -31.7 45.9 26.6 34.0 192 211 A L T 3 S+ 0 0 115 -4,-0.3 -1,-0.2 2,-0.1 -3,-0.1 0.685 79.9 112.6 -81.7 -18.7 43.4 25.0 31.6 193 212 A L < - 0 0 49 -3,-0.7 3,-0.4 1,-0.1 2,-0.3 -0.275 56.1-148.0 -58.2 129.7 43.3 21.6 33.3 194 213 A R S S+ 0 0 199 1,-0.2 5,-0.1 2,-0.1 -1,-0.1 -0.720 71.5 19.5-104.7 157.1 39.9 20.8 34.9 195 214 A D S > S+ 0 0 111 -2,-0.3 4,-2.7 3,-0.1 -1,-0.2 0.911 74.6 166.0 50.8 44.8 38.9 18.8 38.0 196 215 A R H > S+ 0 0 74 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.958 73.5 39.5 -51.5 -58.9 42.5 19.3 39.0 197 216 A W H > S+ 0 0 133 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.660 114.0 55.4 -71.4 -16.8 41.9 18.2 42.6 198 217 A D H > S+ 0 0 86 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.821 107.9 48.4 -82.3 -35.6 39.5 15.5 41.4 199 218 A V H X S+ 0 0 32 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.983 115.6 44.0 -64.5 -55.0 42.2 14.1 39.2 200 219 A V H X S+ 0 0 14 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.757 108.3 62.2 -61.3 -23.3 44.6 14.2 42.1 201 220 A A H X S+ 0 0 42 -4,-0.5 4,-1.6 -5,-0.2 -1,-0.2 0.989 111.1 35.2 -66.4 -52.8 41.8 12.8 44.3 202 221 A K H X S+ 0 0 121 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.804 112.4 56.6 -73.4 -29.9 41.7 9.6 42.3 203 222 A R H X S+ 0 0 37 -4,-2.3 4,-1.9 2,-0.2 -70,-0.4 0.870 108.5 53.0 -65.9 -34.1 45.4 9.2 41.5 204 223 A R H X>S+ 0 0 76 -4,-1.3 5,-1.8 -5,-0.3 4,-0.8 0.941 108.6 47.0 -63.2 -51.0 45.8 9.4 45.3 205 224 A R H <5S+ 0 0 163 -4,-1.6 3,-0.4 1,-0.2 -1,-0.2 0.833 110.5 54.3 -61.4 -35.1 43.3 6.6 45.9 206 225 A E H <5S+ 0 0 95 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 103.6 54.7 -69.1 -37.3 45.0 4.5 43.2 207 226 A A H <5S- 0 0 0 -4,-1.9 -58,-0.3 -5,-0.1 -1,-0.2 0.701 118.2-109.9 -71.1 -13.6 48.4 4.8 44.8 208 227 A G T <5S+ 0 0 7 -4,-0.8 -60,-2.8 -3,-0.4 2,-2.1 0.529 73.1 141.9 97.1 2.9 47.0 3.4 48.1 209 228 A I B < +H 147 0B 8 -5,-1.8 -1,-0.3 -62,-0.2 -62,-0.2 -0.645 14.7 139.5 -78.5 83.5 47.3 6.8 49.8 210 229 A M + 0 0 56 -2,-2.1 -1,-0.2 -64,-0.9 -63,-0.1 0.757 20.5 155.8 -95.3 -30.9 44.0 6.2 51.6 211 230 A G 0 0 41 -65,-1.0 -2,-0.1 -3,-0.4 -64,-0.0 0.488 360.0 360.0 -4.7 92.9 45.4 7.6 54.9 212 231 A H 0 0 145 -66,-0.0 -3,-0.0 0, 0.0 0, 0.0 -0.076 360.0 360.0 153.0 360.0 42.3 8.8 56.9