==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 31-AUG-07 2VAF . COMPND 2 MOLECULE: CALSEQUESTRIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.KIM,B.YOUN,L.KEMPER,C.CAMPBELL,H.MILTING,M.VARSANYI, . 349 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20604.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 44 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 3 0 0 2 2 2 0 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 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 PARALLEL BRIDGES PER LADDER . 0 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 1003 A G 0 0 131 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 115.6 5.7 16.4 127.9 2 1004 A L - 0 0 104 1,-0.1 2,-0.2 6,-0.1 6,-0.1 0.263 360.0-123.7 -77.5-158.2 7.9 17.7 125.1 3 1005 A N - 0 0 112 4,-0.2 3,-0.4 0, 0.0 -1,-0.1 -0.505 35.9 -42.3-133.4-152.1 11.3 19.4 125.3 4 1006 A F S S- 0 0 186 1,-0.3 3,-0.1 -2,-0.2 0, 0.0 -0.995 118.6 -3.6-141.1 132.0 13.2 22.5 124.2 5 1007 A P S S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.275 101.8 129.8 -88.6 75.1 13.2 23.9 121.7 6 1008 A T S S- 0 0 56 -3,-0.4 -4,-0.1 1,-0.2 52,-0.0 -0.414 71.7 -65.2 -78.5 162.3 10.9 21.1 120.5 7 1009 A Y - 0 0 88 1,-0.1 -1,-0.2 -2,-0.1 -4,-0.2 -0.045 46.5-117.0 -58.0 152.4 7.6 22.1 118.7 8 1010 A D S S- 0 0 89 50,-0.2 -1,-0.1 2,-0.1 -6,-0.1 0.735 71.5 -55.4 -69.1 -30.1 4.9 23.9 120.6 9 1011 A G S S+ 0 0 46 1,-0.1 2,-0.3 -7,-0.0 -2,-0.1 0.058 108.6 13.3-173.3 -64.0 1.9 21.4 120.5 10 1012 A K S S- 0 0 164 47,-0.1 2,-1.1 51,-0.0 -2,-0.1 -0.993 74.0-104.8-138.6 146.5 0.7 20.2 117.1 11 1013 A D + 0 0 74 -2,-0.3 47,-0.1 1,-0.2 46,-0.0 -0.516 52.8 157.8 -68.7 99.5 2.1 20.3 113.5 12 1014 A R + 0 0 94 -2,-1.1 -1,-0.2 45,-0.2 45,-0.0 0.641 24.8 107.3-110.3 -14.6 -0.1 23.0 112.1 13 1015 A V S S- 0 0 43 1,-0.1 2,-0.5 44,-0.1 58,-0.1 -0.230 72.3 -84.9 -72.5 166.4 1.6 24.6 109.0 14 1016 A V E -a 71 0A 64 56,-0.9 58,-1.6 57,-0.1 2,-0.9 -0.570 28.8-176.7-107.3 126.1 0.2 23.8 105.6 15 1017 A S E +a 72 0A 74 -2,-0.5 58,-0.2 56,-0.2 2,-0.1 -0.860 53.3 150.2 -91.0 102.0 0.6 21.1 102.9 16 1018 A L E -a 73 0A 40 56,-2.0 58,-2.6 -2,-0.9 2,-0.2 -0.484 39.9-121.4-133.4-161.9 -1.7 22.8 100.3 17 1019 A S > - 0 0 24 56,-0.2 4,-2.8 -2,-0.1 5,-0.2 -0.671 45.0 -59.0-137.6-174.7 -3.1 23.7 96.9 18 1020 A E H > S+ 0 0 87 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.744 113.1 37.0 -51.0 -70.7 -4.1 26.4 94.3 19 1021 A K H > S+ 0 0 106 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.925 122.3 45.6 -58.5 -46.9 -6.7 29.0 95.6 20 1022 A N H > S+ 0 0 62 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.978 113.3 50.5 -55.3 -55.7 -5.3 29.0 99.1 21 1023 A F H X S+ 0 0 33 -4,-2.8 4,-1.1 1,-0.2 -2,-0.2 0.777 113.6 45.6 -55.7 -31.0 -1.7 29.3 97.8 22 1024 A K H X S+ 0 0 104 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.925 113.9 45.1 -83.4 -46.0 -2.7 32.2 95.5 23 1025 A Q H X S+ 0 0 129 -4,-2.8 4,-0.9 1,-0.2 -2,-0.2 0.968 120.3 42.2 -55.9 -51.0 -4.7 34.3 98.0 24 1026 A V H X S+ 0 0 53 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.771 112.5 55.0 -70.7 -27.4 -2.0 33.7 100.6 25 1027 A L H < S+ 0 0 25 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.941 110.7 43.8 -67.5 -51.0 0.8 34.3 98.0 26 1028 A K H < S+ 0 0 135 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.639 117.3 49.4 -70.8 -13.2 -0.6 37.7 97.0 27 1029 A K H < S+ 0 0 139 -4,-0.9 -2,-0.2 -5,-0.2 -1,-0.2 0.815 106.6 69.1 -86.4 -34.6 -1.1 38.3 100.8 28 1030 A Y < - 0 0 60 -4,-2.0 3,-0.1 -5,-0.1 40,-0.1 -0.307 55.7-158.2 -95.7 168.4 2.4 37.3 101.8 29 1031 A D S S+ 0 0 59 38,-0.5 2,-0.4 1,-0.3 39,-0.1 0.698 86.9 35.1-109.2 -38.8 6.0 38.4 101.5 30 1032 A L E -b 68 0A 8 37,-1.7 39,-2.1 67,-0.1 2,-0.5 -0.987 60.8-178.3-122.8 131.9 7.8 35.1 102.2 31 1033 A L E -bC 69 96A 6 65,-0.7 65,-1.9 -2,-0.4 2,-1.1 -0.895 7.2-167.4-126.6 102.7 6.6 31.7 101.0 32 1034 A C E +bC 70 95A 4 37,-1.6 39,-2.4 -2,-0.5 2,-0.5 -0.744 24.5 164.6 -92.7 100.1 8.7 28.7 101.9 33 1035 A L E -bC 71 94A 14 61,-2.5 61,-0.8 -2,-1.1 2,-0.5 -0.955 25.0-166.1-125.8 120.5 7.2 26.0 99.8 34 1036 A Y E -bC 72 93A 42 37,-2.7 39,-2.6 -2,-0.5 2,-0.5 -0.884 22.2-136.1 -95.6 129.2 8.7 22.6 99.0 35 1037 A Y E +b 73 0A 13 57,-2.2 57,-0.5 -2,-0.5 2,-0.3 -0.776 35.0 167.5 -88.0 133.5 7.0 20.8 96.1 36 1038 A H - 0 0 38 37,-2.8 55,-0.1 -2,-0.5 54,-0.0 -0.931 31.0-119.7-139.0 165.5 6.4 17.1 96.8 37 1039 A E - 0 0 87 -2,-0.3 2,-1.5 53,-0.2 38,-0.1 -0.341 51.4 -80.8 -84.6 171.8 4.6 14.0 95.6 38 1040 A P - 0 0 97 0, 0.0 2,-0.3 0, 0.0 37,-0.1 -0.654 64.5-149.0 -65.9 86.8 2.0 11.9 97.4 39 1041 A V + 0 0 34 -2,-1.5 -3,-0.0 1,-0.1 0, 0.0 -0.433 46.2 141.0 -77.8 126.8 4.8 10.1 99.3 40 1042 A S + 0 0 112 -2,-0.3 -1,-0.1 0, 0.0 2,-0.0 -0.461 34.9 147.4-155.2 76.3 4.4 6.4 100.4 41 1043 A S - 0 0 53 1,-0.2 2,-0.0 2,-0.1 -2,-0.0 0.039 43.8 -60.4-103.5-157.3 7.9 4.9 99.8 42 1044 A D >> - 0 0 96 1,-0.0 4,-1.5 -2,-0.0 3,-1.1 -0.127 58.2 -84.3 -86.0-174.8 10.2 2.2 101.2 43 1045 A K T 34 S+ 0 0 146 1,-0.3 4,-0.4 2,-0.2 -2,-0.1 0.889 123.2 46.3 -59.9 -47.7 11.9 1.8 104.7 44 1046 A V T 3> S+ 0 0 93 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.564 111.1 54.5 -77.6 -2.2 14.9 4.0 104.2 45 1047 A T H <> S+ 0 0 35 -3,-1.1 4,-2.0 2,-0.2 3,-0.2 0.876 96.4 56.7 -98.8 -44.2 12.9 6.9 102.6 46 1048 A Q H X S+ 0 0 57 -4,-1.5 4,-2.0 1,-0.2 -2,-0.1 0.644 99.6 65.8 -68.0 -10.8 10.1 7.8 105.1 47 1049 A K H > S+ 0 0 105 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.962 107.1 37.1 -72.7 -54.7 12.8 8.4 107.8 48 1050 A Q H X S+ 0 0 116 -4,-0.5 4,-1.7 1,-0.2 -2,-0.2 0.814 115.4 58.4 -68.0 -27.5 14.4 11.4 106.0 49 1051 A F H X S+ 0 0 57 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.946 107.4 45.2 -60.9 -47.6 10.8 12.3 105.1 50 1052 A Q H X S+ 0 0 96 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.903 113.2 49.8 -66.3 -36.6 9.8 12.4 108.8 51 1053 A L H X S+ 0 0 91 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.821 109.8 52.5 -71.4 -26.8 12.9 14.4 109.6 52 1054 A K H X S+ 0 0 26 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.970 110.7 45.6 -68.2 -54.1 12.1 16.8 106.8 53 1055 A E H X S+ 0 0 78 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.887 115.4 51.3 -52.3 -39.3 8.5 17.3 108.2 54 1056 A I H X S+ 0 0 75 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.925 110.7 42.1 -72.7 -47.9 10.1 17.7 111.6 55 1057 A V H X S+ 0 0 31 -4,-2.6 4,-2.7 3,-0.2 5,-0.3 0.951 118.1 53.4 -62.3 -38.5 12.8 20.4 110.9 56 1058 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.977 116.5 31.8 -52.3 -70.9 10.0 22.1 108.7 57 1059 A E H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 5,-0.3 0.680 116.1 60.2 -74.1 -12.9 7.3 22.3 111.3 58 1060 A L H X S+ 0 0 47 -4,-1.7 4,-2.6 -5,-0.3 5,-0.3 0.984 110.1 40.0 -72.7 -55.8 9.7 22.7 114.2 59 1061 A V H X S+ 0 0 14 -4,-2.7 4,-1.0 -5,-0.2 -2,-0.2 0.921 121.3 48.1 -57.9 -38.6 11.2 25.9 112.7 60 1062 A A H >X S+ 0 0 5 -4,-2.6 4,-2.2 -5,-0.3 3,-0.9 0.986 116.0 37.4 -62.7 -65.3 7.7 26.9 111.7 61 1063 A Q H 3< S+ 0 0 8 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.852 117.2 52.6 -61.2 -35.8 5.8 26.3 114.9 62 1064 A V H 3< S+ 0 0 69 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.729 117.6 41.5 -72.5 -19.0 8.7 27.5 117.0 63 1065 A L H << + 0 0 53 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.2 0.942 60.7 163.9 -86.0 -67.8 8.7 30.7 114.9 64 1066 A E < + 0 0 147 -4,-2.2 2,-0.2 1,-0.2 -3,-0.1 0.946 37.6 145.9 36.3 55.3 5.1 31.9 114.2 65 1067 A H > - 0 0 138 -5,-0.2 2,-1.3 3,-0.0 3,-0.5 -0.692 64.3 -86.9-108.8 167.2 6.6 35.2 113.2 66 1068 A K T 3 S+ 0 0 189 -2,-0.2 -2,-0.0 1,-0.2 0, 0.0 -0.627 103.6 65.7 -81.3 94.1 5.4 37.7 110.5 67 1069 A A T 3 S+ 0 0 13 -2,-1.3 -37,-1.7 1,-0.2 -38,-0.5 0.200 76.2 69.8-166.4 -53.4 7.1 36.3 107.3 68 1070 A I E < - b 0 30A 25 -3,-0.5 2,-0.6 -39,-0.1 -37,-0.2 -0.734 38.0-166.4-114.4 131.2 6.2 32.9 106.0 69 1071 A G E - b 0 31A 9 -39,-2.1 -37,-1.6 -2,-0.4 2,-0.4 -0.939 53.1-146.5 -88.2 126.8 3.4 31.0 104.2 70 1072 A F E - b 0 32A 16 -2,-0.6 -56,-0.9 -39,-0.2 2,-0.5 -0.876 26.5 -1.2-133.3 143.4 4.7 27.6 104.9 71 1073 A V E S+ab 14 33A 12 -39,-2.4 -37,-2.7 -2,-0.4 2,-0.4 -0.917 77.3 25.4 112.7-104.8 5.2 23.9 103.9 72 1074 A M E -ab 15 34A 17 -58,-1.6 -56,-2.0 -2,-0.5 2,-0.9 -0.767 30.2-154.5-128.7 138.7 4.1 22.0 100.7 73 1075 A V E -ab 16 35A 18 -39,-2.6 -37,-2.8 -2,-0.4 -56,-0.2 -0.839 42.9-138.5 -81.7 106.8 3.0 22.0 97.1 74 1076 A D - 0 0 66 -58,-2.6 -1,-0.1 -2,-0.9 2,-0.1 0.673 50.5 -57.7 -48.5 -30.6 1.0 18.8 97.4 75 1077 A A S S- 0 0 41 -38,-0.1 -2,-0.1 -37,-0.1 5,-0.0 -0.431 79.9 -44.2-174.7-121.8 1.8 16.9 94.1 76 1078 A K S > S+ 0 0 105 -2,-0.1 4,-2.7 3,-0.1 3,-0.4 0.789 84.9 116.2-108.1 -58.7 1.6 17.5 90.3 77 1079 A K H > S- 0 0 47 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.378 82.4 -1.6 31.2-134.0 -1.8 19.1 89.7 78 1080 A E H > S+ 0 0 78 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.770 130.5 56.5 -62.7 -32.1 -2.4 22.7 88.4 79 1081 A A H >>>S+ 0 0 14 -3,-0.4 4,-2.3 2,-0.2 5,-1.6 0.998 112.2 42.7 -58.6 -58.8 1.4 23.5 88.2 80 1082 A K H 3<5S+ 0 0 101 -4,-2.7 3,-0.3 4,-0.4 5,-0.3 0.925 113.8 51.7 -49.1 -53.8 1.9 20.5 85.9 81 1083 A L H 3<5S+ 0 0 144 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.665 108.7 49.7 -66.3 -21.3 -1.3 21.2 83.9 82 1084 A A H <<5S- 0 0 70 -4,-1.4 -1,-0.3 -3,-1.0 -2,-0.2 0.848 144.7 -74.7 -77.8 -36.6 -0.2 24.8 83.3 83 1085 A K T <5S- 0 0 141 -4,-2.3 -3,-0.2 -3,-0.3 -4,-0.1 -0.051 79.8 -60.8-177.0 -35.0 3.2 23.3 82.2 84 1086 A K S > S- 0 0 23 -2,-2.6 2,-2.1 2,-0.3 3,-1.0 -0.291 106.5 -23.9 -54.5 109.4 12.0 36.7 96.7 99 1101 A D T 3 S- 0 0 57 1,-0.3 -1,-0.3 -2,-0.2 68,-0.1 -0.355 130.5 -52.1 73.5 -50.2 13.2 38.4 93.4 100 1102 A R T 3 S- 0 0 160 -2,-2.1 -3,-1.9 -5,-0.2 -1,-0.3 -0.101 122.8 -24.3-177.5 -35.2 9.8 37.1 92.2 101 1103 A T E < -D 96 0A 23 -3,-1.0 2,-0.3 -5,-0.3 -5,-0.2 -0.851 68.1-171.8 179.6 149.7 10.5 33.5 93.4 102 1104 A I E -D 95 0A 36 -7,-2.1 -7,-2.5 -2,-0.2 -4,-0.1 -0.906 21.6-103.3-144.6 172.4 13.8 31.6 93.9 103 1105 A E - 0 0 64 -2,-0.3 2,-0.1 -9,-0.2 -9,-0.1 -0.207 12.7-155.9 -84.2 177.9 15.0 28.1 94.7 104 1106 A F + 0 0 14 -10,-0.1 -11,-2.6 2,-0.1 -10,-0.1 -0.573 35.5 140.1-154.4 104.3 16.2 26.2 97.7 105 1107 A D + 0 0 81 -13,-0.2 -11,-0.0 -2,-0.1 2,-0.0 -0.187 47.3 118.9-119.3 34.9 18.3 23.1 97.1 106 1108 A G S S- 0 0 5 1,-0.2 2,-0.1 -13,-0.1 -13,-0.1 -0.097 71.9 -63.1 -85.1-167.7 20.6 24.0 100.1 107 1109 A E - 0 0 41 1,-0.1 2,-0.7 -2,-0.0 -1,-0.2 -0.448 46.5-123.0 -89.5 152.5 21.3 22.0 103.2 108 1110 A F + 0 0 97 -2,-0.1 2,-0.3 4,-0.1 -1,-0.1 -0.811 53.9 104.7-109.6 111.9 18.7 21.2 105.9 109 1111 A A > - 0 0 34 -2,-0.7 4,-2.6 1,-0.1 5,-0.2 -0.962 65.1-104.6-171.6 160.8 19.0 22.2 109.6 110 1112 A A H > S+ 0 0 47 -2,-0.3 4,-2.8 2,-0.2 5,-0.4 0.937 109.5 44.6 -59.9 -66.2 17.6 24.7 112.2 111 1113 A D H > S+ 0 0 120 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 119.4 45.2 -47.8 -49.0 20.3 27.3 112.7 112 1114 A V H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.931 113.2 48.6 -61.1 -51.1 20.9 27.6 109.0 113 1115 A L H X S+ 0 0 12 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.872 113.6 44.5 -68.5 -33.8 17.3 27.7 108.0 114 1116 A V H X S+ 0 0 47 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.915 110.5 55.7 -75.3 -35.8 16.2 30.4 110.5 115 1117 A E H X S+ 0 0 85 -4,-2.4 4,-2.5 -5,-0.4 5,-0.4 0.963 109.2 48.6 -51.2 -47.7 19.4 32.3 109.5 116 1118 A F H X S+ 0 0 21 -4,-2.7 4,-2.0 1,-0.2 5,-0.4 0.941 108.2 54.6 -57.3 -49.3 18.0 32.1 106.0 117 1119 A L H X S+ 0 0 13 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.944 116.6 34.7 -53.6 -52.6 14.6 33.2 107.1 118 1120 A L H < S+ 0 0 111 -4,-2.7 4,-0.3 1,-0.2 -2,-0.2 0.974 119.0 45.8 -68.6 -56.9 15.8 36.4 108.8 119 1121 A D H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.737 116.6 47.5 -68.2 -17.6 18.7 37.5 106.6 120 1122 A L H >< S+ 0 0 20 -4,-2.0 3,-0.8 -5,-0.4 -1,-0.2 0.863 105.7 56.3 -86.8 -36.7 16.6 36.8 103.5 121 1123 A I T 3< S+ 0 0 46 -4,-2.3 -2,-0.2 -5,-0.4 -1,-0.2 0.378 71.3 121.6 -76.1 9.3 13.5 38.8 104.8 122 1124 A E T 3 - 0 0 85 -4,-0.3 -1,-0.2 -3,-0.1 3,-0.1 0.817 69.1-141.2 -31.7 -48.0 16.0 41.7 105.2 123 1125 A D S < S- 0 0 93 -3,-0.8 2,-0.2 1,-0.3 -1,-0.1 0.716 71.9 -7.9 57.6 41.6 13.6 43.6 102.8 124 1126 A P S S- 0 0 29 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.648 97.4 -79.0-123.1 -92.5 15.9 45.0 101.2 125 1127 A V - 0 0 21 -2,-0.2 2,-1.1 -3,-0.1 50,-0.1 -0.143 65.1 -34.2-120.8-145.4 19.7 45.2 101.7 126 1128 A E E -e 175 0B 33 48,-2.1 50,-2.1 -2,-0.1 2,-0.7 -0.578 43.2-166.2 -97.8 97.9 22.3 47.0 103.8 127 1129 A I E +e 176 0B 76 -2,-1.1 2,-0.4 48,-0.2 50,-0.2 -0.533 15.8 179.4 -72.7 107.4 21.6 50.6 104.7 128 1130 A I E +e 177 0B 10 48,-2.8 50,-0.8 -2,-0.7 6,-0.0 -0.930 19.5 133.3-113.8 145.3 24.9 52.1 106.0 129 1131 A S + 0 0 60 -2,-0.4 53,-0.3 48,-0.1 -1,-0.1 0.475 38.1 77.3-146.7 -64.6 25.3 55.7 107.2 130 1132 A S S > S- 0 0 54 3,-0.1 4,-0.7 1,-0.1 6,-0.1 0.305 83.2 -99.2 -64.5-177.9 27.1 56.8 110.4 131 1133 A K H > S+ 0 0 149 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.840 130.7 52.3 -70.4 -32.2 30.8 57.0 111.3 132 1134 A L H > S+ 0 0 119 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.758 108.2 50.7 -70.6 -24.7 30.4 53.7 113.0 133 1135 A E H > S+ 0 0 54 2,-0.3 4,-1.6 3,-0.2 -2,-0.2 0.618 101.3 60.2 -85.2 -14.4 28.9 52.6 109.6 134 1136 A V H X S+ 0 0 4 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.894 106.7 47.5 -67.0 -41.8 32.1 54.1 108.0 135 1137 A Q H < S+ 0 0 92 -4,-2.0 -2,-0.3 1,-0.2 -1,-0.2 0.913 106.4 56.7 -59.7 -40.2 33.6 51.5 110.2 136 1138 A A H >X S+ 0 0 14 -4,-1.2 3,-1.0 1,-0.2 4,-0.8 0.862 105.0 52.4 -60.9 -32.9 30.9 49.1 108.8 137 1139 A F H 3< S+ 0 0 8 -4,-1.6 2,-0.8 1,-0.3 3,-0.3 0.974 117.2 36.9 -64.0 -52.4 32.3 50.0 105.3 138 1140 A E T 3< S+ 0 0 81 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 -0.291 107.3 79.7 -94.0 53.5 35.8 49.1 106.5 139 1141 A R T <4 + 0 0 153 -3,-1.0 2,-0.7 -2,-0.8 -1,-0.2 0.719 61.6 82.8-119.4 -52.1 34.5 46.2 108.6 140 1142 A I < + 0 0 27 -4,-0.8 -1,-0.1 -3,-0.3 5,-0.1 -0.485 34.0 160.6 -77.0 110.1 33.8 43.0 106.6 141 1143 A E + 0 0 89 -2,-0.7 -1,-0.2 -3,-0.1 -3,-0.0 0.342 69.8 62.9 -98.4 1.8 37.0 41.0 106.0 142 1144 A D S S+ 0 0 54 57,-0.0 88,-0.3 2,-0.0 57,-0.2 0.902 94.9 42.5 -98.0 -50.0 34.9 37.9 105.3 143 1145 A Y S S- 0 0 50 55,-0.2 2,-0.4 54,-0.1 30,-0.0 -0.419 79.6-100.4-103.5 173.5 32.7 38.3 102.1 144 1146 A I - 0 0 28 -2,-0.1 29,-0.5 57,-0.0 2,-0.2 -0.797 52.1-152.0 -87.2 130.7 32.8 39.8 98.6 145 1147 A K E -F 196 0B 0 51,-2.0 51,-1.7 -2,-0.4 2,-0.2 -0.627 26.7-164.1-118.0 160.3 31.1 43.2 98.8 146 1148 A L E +F 195 0B 1 49,-0.2 29,-1.1 -2,-0.2 49,-0.2 -0.709 18.6 176.0-142.7 96.6 29.1 45.7 96.7 147 1149 A I E -Fg 194 175B 0 47,-1.9 47,-2.5 -2,-0.2 2,-0.2 -0.313 3.1-177.3 -84.2 169.4 28.8 49.3 98.0 148 1150 A G E -Fg 193 176B 1 27,-1.0 29,-2.5 45,-0.3 2,-0.4 -0.753 23.6-135.9-171.5 125.2 27.1 52.2 96.2 149 1151 A F E - g 0 177B 7 43,-1.1 29,-0.2 -2,-0.2 2,-0.2 -0.727 38.3-177.1 -80.5 130.1 26.6 55.9 96.9 150 1152 A F - 0 0 9 27,-2.6 29,-0.2 -2,-0.4 3,-0.1 -0.561 34.5-130.0-127.2-174.2 23.1 57.0 96.1 151 1153 A K S S- 0 0 146 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.847 76.7 -4.3-104.3 -51.7 20.5 59.9 95.9 152 1154 A S - 0 0 55 1,-0.1 3,-0.4 26,-0.0 -1,-0.3 -0.853 58.5-112.6-137.9 174.7 17.3 58.9 97.7 153 1155 A E S S+ 0 0 106 1,-0.3 2,-0.9 -2,-0.3 -1,-0.1 0.854 123.6 42.9 -72.6 -42.3 15.5 56.1 99.6 154 1156 A D S S+ 0 0 149 -3,-0.1 2,-0.3 4,-0.1 -1,-0.3 -0.745 95.1 138.8-100.0 79.3 13.1 56.0 96.7 155 1157 A S > - 0 0 13 -2,-0.9 4,-2.4 -3,-0.4 5,-0.1 -0.873 61.0-124.7-122.4 159.2 15.8 56.3 94.0 156 1158 A E H > S+ 0 0 143 -2,-0.3 4,-2.5 2,-0.2 5,-0.1 0.958 114.2 39.5 -66.3 -51.4 16.3 54.7 90.5 157 1159 A Y H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.837 113.2 57.4 -69.0 -35.0 19.8 53.4 91.2 158 1160 A Y H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.954 108.0 47.4 -57.6 -48.7 18.7 52.5 94.7 159 1161 A K H X S+ 0 0 106 -4,-2.4 4,-2.5 2,-0.2 5,-0.4 0.932 109.7 51.8 -59.9 -47.9 15.9 50.3 93.2 160 1162 A A H X S+ 0 0 10 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.922 110.0 50.5 -53.6 -43.0 18.4 48.7 90.8 161 1163 A F H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.911 112.4 48.2 -61.3 -43.6 20.6 47.9 93.8 162 1164 A E H >X S+ 0 0 49 -4,-2.4 4,-2.4 2,-0.2 3,-0.7 0.995 115.7 38.7 -61.2 -65.8 17.6 46.4 95.6 163 1165 A E H 3X S+ 0 0 78 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.774 116.0 54.0 -65.4 -22.0 16.2 44.1 92.9 164 1166 A A H 3X S+ 0 0 11 -4,-2.0 4,-1.6 -5,-0.4 -1,-0.3 0.843 108.3 49.9 -75.2 -33.7 19.8 43.2 91.8 165 1167 A A H << S+ 0 0 5 -4,-1.8 -2,-0.2 -3,-0.7 -1,-0.2 0.905 112.1 46.9 -67.0 -39.8 20.6 42.1 95.4 166 1168 A E H >< S+ 0 0 43 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.768 109.7 53.4 -75.2 -23.4 17.4 40.0 95.5 167 1169 A H H 3< S+ 0 0 75 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.849 110.8 50.3 -69.7 -33.2 18.4 38.6 92.1 168 1170 A F T 3< + 0 0 3 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 -0.035 66.1 138.8-100.9 32.2 21.7 37.8 93.8 169 1171 A Q < + 0 0 54 -3,-0.8 -1,-0.2 1,-0.1 2,-0.1 -0.331 48.9 97.6 -83.6 49.2 20.3 36.1 96.8 170 1172 A P S S- 0 0 38 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.604 97.2-105.3 -35.4-130.9 22.9 33.9 96.3 171 1173 A Y S S+ 0 0 76 -2,-0.1 -3,-0.1 2,-0.1 -28,-0.0 0.173 71.0 112.6-138.8-102.1 25.0 35.7 98.9 172 1174 A I S S- 0 0 18 -3,-0.1 2,-0.3 -27,-0.0 -27,-0.2 -0.094 72.5 -64.1 42.8-139.6 28.0 38.2 98.8 173 1175 A K - 0 0 42 -29,-0.5 2,-0.2 23,-0.1 23,-0.1 -0.994 32.0-166.9-147.9 153.8 27.3 41.9 100.1 174 1176 A F - 0 0 7 -2,-0.3 -48,-2.1 -29,-0.2 2,-0.8 -0.687 9.4-173.7-147.4 86.4 25.2 45.0 99.3 175 1177 A F E -eg 126 147B 11 -29,-1.1 -27,-1.0 -2,-0.2 2,-0.5 -0.711 9.7-159.2 -89.1 108.8 26.0 48.4 100.9 176 1178 A A E -eg 127 148B 2 -50,-2.1 -48,-2.8 -2,-0.8 2,-0.4 -0.762 26.5-163.6 -80.1 125.5 23.6 51.2 100.3 177 1179 A T E +eg 128 149B 0 -29,-2.5 -27,-2.6 -2,-0.5 2,-0.3 -0.912 19.8 172.5-131.8 142.6 25.5 54.4 101.1 178 1180 A F + 0 0 38 -50,-0.8 4,-0.3 -2,-0.4 5,-0.1 -0.843 32.7 39.9-133.5 164.8 25.0 58.1 101.8 179 1181 A D S > S- 0 0 98 -2,-0.3 4,-1.9 -29,-0.2 3,-0.3 0.737 72.0 -88.2 73.7 146.9 26.8 61.2 102.9 180 1182 A K H > S+ 0 0 128 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.573 110.4 66.4 -59.2 -21.3 30.0 63.2 102.6 181 1183 A G H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.997 113.8 27.5 -68.3 -65.2 31.9 61.4 105.4 182 1184 A V H > S+ 0 0 5 -4,-0.3 4,-2.5 -53,-0.3 5,-0.3 0.732 118.3 64.5 -68.3 -20.3 32.2 58.0 103.9 183 1185 A A H X S+ 0 0 32 -4,-1.9 4,-2.6 2,-0.2 5,-0.3 0.969 108.5 38.0 -63.1 -48.2 32.0 59.8 100.5 184 1186 A K H < S+ 0 0 162 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.813 119.1 48.8 -72.5 -31.2 35.3 61.5 101.3 185 1187 A K H < S+ 0 0 112 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.953 119.1 37.5 -72.4 -43.5 36.8 58.4 103.0 186 1188 A L H < S- 0 0 22 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.904 89.8-164.5 -75.6 -45.9 35.9 56.1 100.1 187 1189 A S < + 0 0 66 -4,-2.6 -3,-0.1 -5,-0.3 -4,-0.1 0.974 30.8 150.6 62.4 71.9 36.6 58.5 97.3 188 1190 A L - 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