==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 10-FEB-12 4DOP . COMPND 2 MOLECULE: CATION EFFLUX SYSTEM PROTEIN CUSB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.-C.SU,F.LONG,E.YU . 1677 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1182 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 343 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 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 . 135 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 170 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 462 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 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 5 3 4 6 3 2 5 3 4 1 3 3 2 0 0 1 1 0 1 1 0 2 1 0 1 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 . 8 11 11 12 10 4 3 3 3 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 . 5 0 6 3 2 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 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 79 B A 0 0 114 0, 0.0 2,-0.6 0, 0.0 1288,-0.1 0.000 360.0 360.0 360.0 37.3 -31.3 14.7 43.6 2 80 B S - 0 0 39 1286,-0.6 330,-0.0 1,-0.1 1283,-0.0 -0.600 360.0-163.0 -76.0 114.3 -30.3 18.3 44.0 3 81 B G + 0 0 50 -2,-0.6 2,-0.7 2,-0.0 -1,-0.1 0.130 40.2 146.0 -80.1 21.8 -28.0 18.7 47.0 4 82 B V - 0 0 39 1,-0.0 2,-0.1 1228,-0.0 -2,-0.1 -0.487 33.8-160.3 -66.3 106.4 -28.8 22.4 46.8 5 83 B R - 0 0 112 -2,-0.7 2,-0.3 330,-0.0 331,-0.1 -0.300 10.8-173.2 -85.7 171.6 -28.9 23.6 50.4 6 84 B I - 0 0 22 329,-0.1 332,-0.1 -2,-0.1 1226,-0.1 -0.951 35.2 -96.6-166.3 141.9 -30.5 26.7 51.9 7 85 B D - 0 0 72 -2,-0.3 329,-0.1 1,-0.2 1224,-0.1 -0.522 31.0-166.6 -67.3 115.3 -30.6 28.6 55.2 8 86 B P + 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.577 56.3 101.0 -82.2 -12.5 -33.9 27.4 56.9 9 87 B T S S- 0 0 22 1,-0.1 311,-0.2 311,-0.1 310,-0.1 -0.546 87.3 -95.6 -76.7 138.2 -33.8 30.2 59.6 10 88 B Q - 0 0 71 309,-2.2 2,-0.4 -2,-0.2 262,-0.2 -0.115 42.8-153.3 -50.2 147.9 -36.1 33.1 58.9 11 89 B T - 0 0 12 -3,-0.1 2,-0.3 260,-0.1 920,-0.1 -0.992 21.4-179.6-135.0 135.2 -34.5 36.1 57.2 12 90 B Q + 0 0 32 -2,-0.4 918,-0.2 918,-0.2 3,-0.1 -0.764 28.6 137.9-134.1 86.7 -35.3 39.8 57.3 13 91 B N + 0 0 80 916,-2.3 2,-1.4 -2,-0.3 917,-0.2 0.474 48.8 91.7-108.4 -6.4 -32.9 41.8 55.1 14 92 B L S S- 0 0 12 915,-0.6 780,-0.6 1,-0.3 -1,-0.1 -0.327 111.4 -65.1 -85.5 53.7 -35.4 44.1 53.5 15 93 B G - 0 0 11 -2,-1.4 2,-0.4 780,-0.4 -1,-0.3 0.539 54.5-143.2 74.4 137.2 -34.9 46.8 56.2 16 94 B V - 0 0 30 779,-0.3 2,-0.8 -3,-0.1 -1,-0.1 -0.998 16.4-119.9-137.0 140.3 -35.7 46.4 59.9 17 95 B K - 0 0 61 -2,-0.4 284,-2.6 781,-0.1 2,-0.4 -0.679 42.4-179.9 -81.8 110.2 -37.1 48.9 62.4 18 96 B T E +A 300 0A 71 -2,-0.8 2,-0.3 282,-0.3 282,-0.2 -0.909 17.8 178.5-121.1 139.7 -34.5 49.2 65.2 19 97 B A E -A 299 0A 31 280,-2.7 280,-3.0 -2,-0.4 2,-0.3 -0.947 25.2-125.1-130.2 154.8 -34.3 51.2 68.4 20 98 B T E -A 298 0A 73 -2,-0.3 278,-0.2 278,-0.2 2,-0.2 -0.792 22.5-106.9-109.6 143.4 -31.5 51.1 71.0 21 99 B V - 0 0 2 276,-2.4 275,-0.5 -2,-0.3 2,-0.4 -0.444 41.9-171.7 -64.0 127.9 -31.5 50.4 74.7 22 100 B T E -E 248 0B 78 226,-1.9 226,-1.5 -2,-0.2 2,-0.8 -0.981 26.4-126.6-128.8 136.4 -30.9 53.7 76.7 23 101 B R E +E 247 0B 122 -2,-0.4 224,-0.2 224,-0.2 -2,-0.0 -0.707 59.7 122.1 -78.9 109.7 -30.3 54.4 80.4 24 102 B G E -E 246 0B 10 222,-2.2 222,-3.1 -2,-0.8 2,-0.3 -0.894 57.8 -82.7-155.0-177.4 -32.9 57.0 81.4 25 103 B P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 219,-0.1 -0.718 35.6-116.3 -99.6 146.7 -35.8 57.8 83.7 26 104 B L - 0 0 0 218,-0.4 217,-2.0 -2,-0.3 2,-0.4 -0.696 32.2-139.0 -77.7 127.9 -39.5 56.9 83.3 27 105 B T E -H 242 0C 63 -2,-0.4 2,-0.3 256,-0.4 215,-0.2 -0.761 22.5-173.3 -94.9 132.5 -41.5 60.1 82.9 28 106 B F E +H 241 0C 11 213,-2.9 213,-1.0 -2,-0.4 255,-0.0 -0.893 21.6 162.6-126.5 155.1 -44.9 60.4 84.7 29 107 B A E +H 240 0C 54 -2,-0.3 2,-0.4 211,-0.2 211,-0.2 -0.403 22.0 155.3-170.1 80.6 -47.8 62.9 84.7 30 108 B Q E -H 239 0C 54 209,-1.4 209,-1.6 207,-0.0 2,-0.6 -0.897 35.3-137.3-121.6 144.3 -51.0 61.6 86.2 31 109 B S E -H 238 0C 68 -2,-0.4 207,-0.2 207,-0.2 -2,-0.0 -0.883 18.8-160.0-102.3 114.5 -54.0 63.3 87.9 32 110 B F E -H 237 0C 3 205,-2.3 205,-2.6 -2,-0.6 140,-0.1 -0.797 18.5-124.0 -95.6 132.2 -55.3 61.5 91.0 33 111 B P E +H 236 0C 24 0, 0.0 138,-2.4 0, 0.0 2,-0.3 -0.453 35.0 177.0 -74.5 145.5 -58.9 62.3 92.1 34 112 B A E -HI 235 170C 2 201,-3.0 201,-2.2 136,-0.2 2,-0.3 -0.931 17.5-142.2-145.1 166.6 -59.4 63.6 95.7 35 113 B N E -HI 234 169C 35 134,-1.3 134,-1.5 -2,-0.3 2,-0.4 -0.954 17.9-121.5-133.8 151.8 -62.1 64.8 98.0 36 114 B V E + I 0 168C 4 197,-2.4 196,-2.3 -2,-0.3 2,-0.3 -0.792 41.4 166.5 -92.3 131.9 -62.5 67.5 100.7 37 115 B S E - I 0 167C 33 130,-2.5 130,-1.5 -2,-0.4 2,-0.1 -0.863 37.4 -79.8-140.2 171.5 -63.5 66.2 104.1 38 116 B Y - 0 0 59 -2,-0.3 2,-0.6 128,-0.2 125,-0.2 -0.393 50.5-101.0 -72.7 149.2 -63.8 67.2 107.8 39 117 B N - 0 0 4 123,-2.1 123,-0.5 1,-0.2 3,-0.4 -0.607 29.3-162.7 -69.5 117.4 -60.7 67.2 110.1 40 118 B E S S+ 0 0 59 -2,-0.6 343,-0.2 1,-0.2 3,-0.2 0.411 90.5 58.6 -87.4 2.9 -61.0 64.0 112.0 41 119 B Y S S+ 0 0 83 1,-0.2 2,-0.8 341,-0.1 -1,-0.2 0.540 98.5 62.1 -98.0 -16.5 -58.5 65.3 114.6 42 120 B Q S S+ 0 0 60 -3,-0.4 120,-2.3 120,-0.2 2,-0.4 -0.714 83.8 137.7-101.0 76.5 -60.9 68.2 115.1 43 121 B Y E +O 161 0D 40 -2,-0.8 427,-0.6 118,-0.2 2,-0.3 -0.976 25.5 169.9-134.0 134.1 -63.6 65.8 116.4 44 122 B A E -Op 160 470D 1 116,-1.1 116,-2.4 -2,-0.4 2,-0.5 -0.932 14.9-170.5-152.8 123.2 -66.1 66.1 119.3 45 123 B I E -O 159 0D 15 425,-2.4 2,-0.9 -2,-0.3 114,-0.2 -0.964 20.1-146.7-112.6 123.6 -69.1 64.1 120.4 46 124 B V E +O 158 0D 14 112,-2.4 111,-2.2 -2,-0.5 112,-0.6 -0.758 24.0 171.5 -98.8 99.6 -71.1 65.8 123.2 47 125 B Q - 0 0 22 -2,-0.9 2,-0.2 424,-0.3 109,-0.1 -0.787 37.4-106.8-102.8 150.1 -72.7 63.3 125.6 48 126 B A - 0 0 1 104,-0.5 107,-0.1 107,-0.4 425,-0.1 -0.537 20.5-136.0 -73.2 136.8 -74.4 64.1 128.9 49 127 B R S S+ 0 0 63 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.849 84.9 9.0 -62.5 -35.4 -72.3 63.2 132.0 50 128 B A S S- 0 0 6 102,-0.1 -1,-0.1 61,-0.1 101,-0.1 -0.974 92.3 -81.3-146.8 159.3 -75.4 61.7 133.7 51 129 B A + 0 0 55 -2,-0.3 28,-0.4 -3,-0.1 2,-0.3 -0.122 62.3 118.7 -63.2 154.4 -79.0 60.9 132.9 52 130 B G E -S 151 0E 14 99,-2.0 99,-3.6 25,-0.2 2,-0.3 -0.975 54.0 -79.2 171.5-176.1 -81.8 63.5 132.9 53 131 B F E -ST 150 76E 96 23,-1.3 23,-2.7 97,-0.3 2,-0.4 -0.824 40.6-107.1-114.9 154.0 -84.4 65.3 130.9 54 132 B I E - T 0 75E 11 95,-2.5 94,-0.4 -2,-0.3 21,-0.3 -0.641 24.5-175.9 -83.5 125.5 -84.2 68.2 128.4 55 133 B D E - 0 0 59 19,-2.6 2,-0.3 -2,-0.4 20,-0.2 0.921 69.9 -20.1 -81.0 -51.5 -85.4 71.6 129.6 56 134 B K E - T 0 74E 98 18,-1.8 18,-2.8 91,-0.1 2,-0.4 -0.990 54.8-143.0-156.2 157.1 -84.9 73.4 126.3 57 135 B V E - T 0 73E 38 -2,-0.3 16,-0.2 16,-0.2 90,-0.1 -0.991 22.4-126.5-130.0 132.0 -82.9 73.2 123.1 58 136 B Y - 0 0 51 14,-1.3 2,-0.9 -2,-0.4 89,-0.0 -0.242 41.9 -81.6 -73.5 158.5 -81.4 76.1 121.1 59 137 B P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.473 84.8 122.3 -58.7 100.6 -81.9 76.9 117.4 60 138 B L + 0 0 26 -2,-0.9 2,-0.3 -3,-0.1 6,-0.0 -0.828 31.0 171.4-170.8 119.7 -79.4 74.4 116.0 61 139 B T > - 0 0 63 -2,-0.3 3,-2.4 79,-0.0 79,-0.2 -0.919 48.4 -68.1-135.3 162.5 -79.7 71.5 113.5 62 140 B V T 3 S+ 0 0 83 -2,-0.3 79,-0.2 1,-0.3 3,-0.1 -0.244 120.1 34.6 -50.2 118.7 -77.5 69.1 111.6 63 141 B G T 3 S+ 0 0 55 77,-2.1 -1,-0.3 1,-0.4 78,-0.1 -0.007 86.7 121.9 124.8 -27.0 -75.6 71.2 109.0 64 142 B D < - 0 0 70 -3,-2.4 76,-2.2 76,-0.1 2,-0.7 -0.296 63.8-120.3 -71.2 150.9 -75.2 74.4 111.0 65 143 B K E -Q 139 0D 95 74,-0.2 74,-0.2 -3,-0.1 2,-0.2 -0.832 36.8-177.3 -93.1 111.0 -71.8 75.9 111.7 66 144 B V E -Q 138 0D 2 72,-1.3 72,-1.7 -2,-0.7 2,-0.3 -0.566 11.9-144.2-102.3 171.1 -71.2 76.3 115.4 67 145 B Q > - 0 0 126 70,-0.2 3,-3.4 -2,-0.2 67,-0.3 -0.975 38.2 -75.7-137.8 149.7 -68.3 77.7 117.4 68 146 B K T 3 S+ 0 0 156 -2,-0.3 69,-0.1 1,-0.3 68,-0.1 -0.175 123.1 25.0 -45.0 115.9 -66.5 76.9 120.6 69 147 B G T 3 S+ 0 0 36 65,-2.7 -1,-0.3 1,-0.4 3,-0.1 0.126 83.7 144.3 111.8 -18.5 -68.9 78.1 123.3 70 148 B T < - 0 0 26 -3,-3.4 64,-2.9 64,-0.3 -1,-0.4 -0.310 55.2-114.2 -57.2 129.4 -72.1 77.9 121.3 71 149 B P E + U 0 133E 49 0, 0.0 62,-0.3 0, 0.0 -1,-0.1 -0.466 35.2 177.0 -67.5 133.3 -75.0 76.7 123.5 72 150 B L E - 0 0 0 60,-3.7 -14,-1.3 1,-0.3 2,-0.3 0.845 56.1 -33.3-102.9 -55.4 -76.4 73.3 122.6 73 151 B L E -TU 57 132E 1 59,-0.9 59,-2.4 -16,-0.2 2,-0.5 -0.974 46.4-122.4-167.1 153.1 -79.2 72.5 125.1 74 152 B D E +TU 56 131E 7 -18,-2.8 -19,-2.6 -2,-0.3 -18,-1.8 -0.904 36.1 175.6-105.2 130.1 -80.3 73.0 128.7 75 153 B L E -TU 54 130E 0 55,-1.2 55,-2.8 -2,-0.5 2,-0.5 -0.911 27.7-129.2-134.3 156.2 -80.9 69.9 130.8 76 154 B T E -TU 53 129E 21 -23,-2.7 -23,-1.3 -2,-0.3 53,-0.2 -0.933 22.7-175.6-108.6 125.2 -81.8 68.9 134.3 77 155 B I - 0 0 6 51,-2.3 3,-0.2 -2,-0.5 4,-0.2 -0.975 13.5-179.7-123.8 120.8 -79.7 66.2 136.1 78 156 B P + 0 0 77 0, 0.0 4,-0.5 0, 0.0 -26,-0.1 0.205 60.0 96.8-101.1 13.9 -80.6 65.0 139.6 79 157 B D S S+ 0 0 101 -28,-0.4 3,-0.3 1,-0.2 4,-0.2 0.923 92.1 31.2 -70.5 -45.0 -77.7 62.5 139.9 80 158 B W S >> S+ 0 0 6 -3,-0.2 4,-2.0 1,-0.2 3,-1.1 0.641 92.5 94.4 -89.8 -16.4 -75.4 64.8 141.9 81 159 B V H 3> S+ 0 0 46 1,-0.3 4,-1.6 -4,-0.2 -1,-0.2 0.850 82.1 55.1 -45.2 -46.6 -78.0 66.8 143.8 82 160 B E H 3> S+ 0 0 161 -4,-0.5 4,-1.4 -3,-0.3 -1,-0.3 0.874 111.1 44.2 -57.5 -41.1 -77.8 64.5 146.8 83 161 B A H <> S+ 0 0 17 -3,-1.1 4,-0.7 -4,-0.2 -1,-0.2 0.798 104.6 62.7 -76.0 -30.5 -74.1 64.9 147.2 84 162 B Q H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 3,-0.3 0.862 104.8 48.7 -61.9 -35.4 -74.2 68.6 146.7 85 163 B S H X S+ 0 0 55 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.913 102.7 60.1 -67.4 -43.3 -76.3 68.8 149.8 86 164 B E H X S+ 0 0 87 -4,-1.4 4,-0.8 1,-0.2 -1,-0.2 0.707 111.3 44.7 -56.4 -18.7 -73.7 66.6 151.6 87 165 B Y H X S+ 0 0 11 -4,-0.7 4,-1.6 -3,-0.3 -2,-0.2 0.910 110.3 47.9 -88.2 -57.6 -71.5 69.5 150.7 88 166 B L H X S+ 0 0 29 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.864 112.7 53.7 -52.4 -37.7 -73.6 72.5 151.6 89 167 B L H >X S+ 0 0 102 -4,-3.2 4,-1.6 1,-0.2 3,-1.2 0.964 105.1 52.1 -57.7 -53.8 -74.2 70.7 154.9 90 168 B L H 3<>S+ 0 0 28 -4,-0.8 5,-2.9 -5,-0.3 -1,-0.2 0.770 107.7 54.9 -53.5 -28.1 -70.4 70.3 155.4 91 169 B R H 3<5S+ 0 0 133 -4,-1.6 -1,-0.3 3,-0.2 -2,-0.2 0.749 104.8 50.7 -81.6 -25.7 -70.2 74.1 154.9 92 170 B E H <<5S+ 0 0 176 -3,-1.2 -2,-0.2 -4,-1.1 -1,-0.2 0.782 117.8 38.6 -80.9 -28.8 -72.8 75.0 157.6 93 171 B T T <5S- 0 0 100 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.238 109.3-126.1-102.8 10.5 -71.0 72.8 160.2 94 172 B G T 5 - 0 0 48 -5,-0.2 -3,-0.2 -3,-0.1 -4,-0.1 0.899 37.4-166.3 44.6 58.4 -67.6 73.9 158.9 95 173 B G < - 0 0 25 -5,-2.9 5,-0.1 1,-0.2 -1,-0.0 0.101 33.5 -61.1 -61.3-178.1 -66.3 70.4 158.3 96 174 B T > - 0 0 69 1,-0.1 4,-1.5 2,-0.0 -1,-0.2 -0.289 39.1-125.4 -67.3 151.3 -62.6 69.6 157.7 97 175 B A H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.861 117.8 47.9 -63.2 -34.7 -60.9 71.0 154.6 98 176 B T H > S+ 0 0 96 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.724 108.7 53.6 -77.5 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-2,-0.1 -0.768 32.7-154.6 -95.2 99.3 -60.9 43.5 17.4 1035 387 A N - 0 0 43 -2,-0.9 2,-0.6 1,-0.1 -351,-0.2 -0.167 34.7 -84.1 -64.3 164.8 -57.8 44.9 19.1 1036 388 A A B +o 684 0J 11 -353,-2.7 -351,-2.0 -357,-0.1 2,-0.3 -0.630 64.0 148.9 -80.8 116.6 -54.4 43.8 17.9 1037 389 A N > - 0 0 1 -2,-0.6 4,-1.2 -353,-0.2 3,-0.4 -0.942 62.2 -98.2-140.0 163.0 -53.1 40.6 19.4 1038 390 A I H > S+ 0 0 3 -352,-1.6 4,-1.1 -353,-0.3 -351,-0.1 0.798 125.4 48.5 -48.9 -31.3 -50.9 37.6 18.3 1039 391 A M H > S+ 0 0 1 -353,-0.5 4,-0.9 2,-0.2 -1,-0.2 0.868 111.5 45.6 -80.6 -39.0 -54.1 35.8 17.4 1040 392 A S H 4 S+ 0 0 0 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.455 120.7 42.1 -84.2 -1.2 -55.8 38.6 15.4 1041 393 A L H X S+ 0 0 17 -4,-1.2 4,-1.8 2,-0.1 -2,-0.2 0.553 102.8 65.9-113.1 -21.5 -52.5 39.1 13.6 1042 394 A G H X S+ 0 0 0 -4,-1.1 4,-1.2 -5,-0.4 -2,-0.2 0.792 100.3 53.0 -68.8 -29.4 -51.6 35.5 13.2 1043 395 A G H X S+ 0 0 0 -4,-0.9 4,-1.4 2,-0.2 -1,-0.2 0.873 108.2 49.2 -70.4 -39.4 -54.6 35.3 10.9 1044 396 A I H > 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A H < S+ 0 0 2 -4,-0.7 4,-0.4 -3,-0.2 -1,-0.2 0.833 112.4 38.2 -85.7 -40.3 -54.6 36.7 -6.0 1055 407 A A H >X S+ 0 0 0 -4,-0.7 4,-2.5 2,-0.1 3,-0.6 0.942 117.0 46.2 -77.9 -50.2 -52.5 39.3 -7.9 1056 408 A I H 3X S+ 0 0 0 -4,-2.3 4,-3.4 1,-0.2 5,-0.3 0.905 105.1 57.7 -63.4 -46.5 -49.8 37.1 -9.5 1057 409 A V H 3> S+ 0 0 2 -4,-0.4 4,-0.8 -5,-0.3 -1,-0.2 0.748 114.8 41.8 -59.4 -22.1 -52.0 34.3 -10.8 1058 410 A M H <4 S+ 0 0 15 -3,-0.6 4,-0.4 -4,-0.4 -1,-0.2 0.866 113.4 50.3 -87.0 -45.7 -53.8 37.0 -12.7 1059 411 A I H >X S+ 0 0 1 -4,-2.5 3,-0.7 1,-0.2 4,-0.6 0.868 110.1 52.4 -58.5 -38.3 -50.7 38.9 -13.8 1060 412 A E H >X S+ 0 0 6 -4,-3.4 4,-1.3 1,-0.3 3,-1.2 0.912 103.2 54.3 -68.3 -44.8 -49.1 35.7 -15.0 1061 413 A N H 3< S+ 0 0 13 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.559 110.9 50.4 -66.7 -5.7 -52.1 34.8 -17.3 1062 414 A A H <> S+ 0 0 0 -3,-0.7 4,-0.8 -4,-0.4 -1,-0.3 0.554 99.9 63.5-103.3 -15.6 -51.5 38.2 -18.7 1063 415 A H H << S+ 0 0 56 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.811 108.3 40.1 -77.0 -33.5 -47.8 37.7 -19.3 1064 416 A K T < S+ 0 0 94 -4,-1.3 3,-0.2 2,-0.2 -1,-0.2 0.582 110.2 60.3 -90.5 -12.0 -48.4 34.9 -21.8 1065 417 A R T >> S+ 0 0 93 -5,-0.2 4,-1.1 1,-0.2 3,-0.5 0.723 106.6 46.5 -82.0 -24.8 -51.3 36.8 -23.3 1066 418 A L T 3< S+ 0 0 71 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.261 105.5 63.0 -94.1 7.9 -48.8 39.6 -24.1 1067 419 A E T 34 S+ 0 0 98 -3,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.150 107.3 41.7-112.9 12.7 -46.5 36.9 -25.5 1068 420 A E T <> S+ 0 0 62 -3,-0.5 4,-1.8 3,-0.1 3,-0.4 0.600 109.0 52.0-124.7 -39.5 -49.0 35.9 -28.2 1069 421 A W H X S+ 0 0 66 -4,-1.1 4,-1.1 1,-0.2 -3,-0.1 0.754 111.3 53.8 -69.1 -23.0 -50.3 39.3 -29.4 1070 422 A Q H 4 S+ 0 0 66 2,-0.2 -1,-0.2 1,-0.2 -3,-0.1 0.644 112.7 42.9 -81.7 -17.1 -46.6 40.1 -29.8 1071 423 A H H 4 S+ 0 0 130 -3,-0.4 -2,-0.2 1,-0.1 -1,-0.2 0.640 117.2 44.3-100.2 -20.3 -46.2 36.9 -31.9 1072 424 A Q H < S+ 0 0 141 -4,-1.8 -3,-0.2 2,-0.1 -2,-0.2 0.668 120.3 36.6 -96.1 -21.7 -49.4 37.3 -34.0 1073 425 A H S < S- 0 0 97 -4,-1.1 0, 0.0 1,-0.3 0, 0.0 -0.610 100.8 -74.9-118.3 178.6 -48.9 41.0 -34.7 1074 426 A P - 0 0 86 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.051 35.8-138.7 -60.6-173.4 -45.9 43.3 -35.4 1075 427 A D S S+ 0 0 102 -4,-0.1 -4,-0.0 3,-0.0 -6,-0.0 0.687 88.4 57.3-122.2 -36.1 -43.6 44.3 -32.5 1076 428 A A S S+ 0 0 103 1,-0.1 2,-0.4 0, 0.0 -1,-0.0 0.102 95.3 76.6 -91.8 22.7 -42.7 47.9 -32.8 1077 429 A T + 0 0 95 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.896 51.0 131.3-138.9 108.0 -46.3 49.1 -32.8 1078 430 A L - 0 0 125 -2,-0.4 2,-0.1 5,-0.0 -3,-0.0 -0.944 28.2-161.9-156.0 134.1 -48.5 49.3 -29.7 1079 431 A D > - 0 0 100 -2,-0.3 4,-1.2 1,-0.0 5,-0.1 -0.363 40.7 -96.5-104.4-175.4 -50.7 52.1 -28.3 1080 432 A N T 4 S+ 0 0 98 2,-0.2 -1,-0.0 1,-0.2 0, 0.0 0.679 127.8 43.0 -75.8 -18.7 -52.2 52.8 -24.8 1081 433 A K T > S+ 0 0 121 2,-0.2 4,-1.2 3,-0.1 -1,-0.2 0.752 107.6 57.7 -94.7 -32.0 -55.4 51.1 -26.0 1082 434 A T H > S+ 0 0 54 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.793 112.7 42.2 -67.8 -27.9 -53.7 48.2 -27.7 1083 435 A R H X S+ 0 0 116 -4,-1.2 4,-0.9 2,-0.2 -1,-0.2 0.600 106.9 65.8 -87.9 -14.7 -52.1 47.4 -24.4 1084 436 A W H > S+ 0 0 79 1,-0.2 4,-0.8 2,-0.1 -2,-0.2 0.780 102.2 45.8 -75.0 -29.0 -55.4 48.1 -22.7 1085 437 A Q H < S+ 0 0 84 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.786 105.6 57.1 -87.4 -30.4 -57.1 45.1 -24.4 1086 438 A V H < S+ 0 0 5 -4,-0.6 3,-0.2 1,-0.2 -2,-0.1 0.836 111.9 38.9 -75.4 -34.8 -54.5 42.4 -23.8 1087 439 A I H >< S+ 0 0 16 -4,-0.9 3,-1.3 1,-0.2 4,-0.5 0.823 112.0 56.0 -84.7 -34.7 -54.3 42.6 -20.0 1088 440 A T T 3< S+ 0 0 29 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.398 102.0 61.6 -77.5 3.6 -58.0 43.1 -19.5 1089 441 A D T 3> S+ 0 0 56 -3,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.436 91.6 62.6-104.8 -5.7 -58.4 39.9 -21.5 1090 442 A A H <> S+ 0 0 0 -3,-1.3 4,-0.7 1,-0.2 5,-0.3 0.621 95.4 62.1 -85.5 -18.1 -56.5 37.9 -18.9 1091 443 A S H 4 S+ 0 0 4 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.1 0.436 91.1 74.1 -80.7 -1.7 -59.3 38.9 -16.5 1092 444 A V H 4 S+ 0 0 57 -3,-0.2 -2,-0.2 3,-0.1 -1,-0.2 0.950 107.8 20.0 -75.9 -53.4 -61.5 36.9 -18.9 1093 445 A E H X S+ 0 0 71 -4,-0.5 4,-0.8 2,-0.1 -2,-0.1 0.977 132.7 33.5 -82.4 -69.5 -60.5 33.4 -17.9 1094 446 A V H X S+ 0 0 2 -4,-0.7 4,-1.6 1,-0.2 5,-0.3 0.580 96.0 96.6 -68.7 -8.4 -58.9 33.4 -14.5 1095 447 A G H >> S+ 0 0 10 -5,-0.3 4,-1.5 1,-0.2 3,-0.7 0.935 96.6 23.6 -43.7 -70.9 -61.3 36.2 -13.5 1096 448 A P H 3> S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 5,-0.4 0.794 112.4 76.0 -66.7 -29.1 -64.0 34.1 -11.8 1097 449 A A H 3< S+ 0 0 20 -4,-0.8 4,-0.2 1,-0.2 -2,-0.2 0.796 108.5 26.9 -55.0 -33.7 -61.4 31.3 -11.2 1098 450 A L H S+ 0 0 2 -5,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.818 111.2 45.2 -77.5 -33.2 -61.6 30.4 -5.2 1102 454 A L H X S+ 0 0 7 -4,-3.1 4,-0.8 2,-0.2 -1,-0.2 0.635 110.5 55.6 -80.5 -16.9 -60.7 33.1 -2.7 1103 455 A L H > S+ 0 0 52 -5,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.733 108.6 49.2 -77.9 -28.2 -64.4 32.9 -1.9 1104 456 A I H X S+ 0 0 2 -4,-0.8 4,-2.9 2,-0.2 5,-0.3 0.949 105.3 53.9 -72.5 -53.7 -63.7 29.3 -1.2 1105 457 A I H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.826 114.8 44.0 -49.4 -34.6 -60.7 29.8 1.0 1106 458 A T H < S+ 0 0 6 -4,-0.8 4,-0.5 2,-0.1 3,-0.3 0.835 117.3 41.4 -82.9 -35.7 -62.9 32.1 3.1 1107 459 A L H < S+ 0 0 50 -4,-1.4 3,-0.4 2,-0.2 -2,-0.2 0.794 105.5 59.6 -88.5 -31.0 -66.0 30.0 3.3 1108 460 A S S < S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.1 0.473 109.3 52.1 -71.0 1.0 -64.5 26.5 3.8 1109 461 A F S > S+ 0 0 0 -3,-0.3 3,-2.2 -5,-0.3 4,-0.3 0.636 84.1 85.5-108.5 -24.9 -63.1 28.2 6.9 1110 462 A I G > S+ 0 0 85 -4,-0.5 3,-2.6 -3,-0.4 4,-0.3 0.834 73.6 72.4 -46.6 -44.3 -66.4 29.6 8.3 1111 463 A P G > S+ 0 0 8 0, 0.0 3,-0.7 0, 0.0 -1,-0.3 0.609 85.1 71.5 -52.9 -9.7 -67.2 26.4 10.1 1112 464 A I G X S+ 0 0 4 -3,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.785 79.6 72.1 -76.6 -28.0 -64.4 27.3 12.6 1113 465 A F G < S+ 0 0 69 -3,-2.6 -1,-0.2 1,-0.3 -3,-0.1 0.622 78.5 80.1 -62.7 -12.5 -66.5 30.2 14.0 1114 466 A T G < + 0 0 47 -3,-0.7 2,-0.5 -4,-0.3 -1,-0.3 0.203 61.6 125.4 -83.6 17.4 -68.6 27.5 15.7 1115 467 A L < - 0 0 13 -3,-1.2 2,-0.4 5,-0.1 390,-0.1 -0.675 55.0-141.2 -77.8 124.7 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46.6-100.3 -22.7 -62.7 20.4 -31.8 1596 959 A N T > S+ 0 0 56 -3,-0.3 4,-1.7 -4,-0.3 -2,-0.2 0.788 110.0 52.4 -87.8 -31.9 -61.0 17.0 -32.5 1597 960 A N T < S+ 0 0 17 -4,-0.6 -3,-0.1 2,-0.2 -2,-0.1 0.946 105.4 48.4 -73.8 -52.6 -61.9 15.3 -29.2 1598 961 A P T 4 S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.795 118.2 42.8 -61.4 -28.7 -65.7 15.8 -29.0 1599 962 A Q T 4 S- 0 0 140 -4,-0.4 2,-0.3 1,-0.3 -2,-0.2 0.911 130.7 -7.5 -83.8 -47.3 -66.2 14.6 -32.7 1600 963 A T S < S- 0 0 79 -4,-1.7 2,-0.3 -5,-0.1 -1,-0.3 -0.906 77.8 -92.3-143.6 170.9 -63.8 11.6 -32.7 1601 964 A F + 0 0 133 -2,-0.3 2,-0.1 -3,-0.1 -4,-0.1 -0.662 38.8 161.7 -92.4 142.8 -61.2 10.0 -30.4 1602 965 A S >> - 0 0 38 -2,-0.3 3,-1.9 1,-0.1 4,-1.8 -0.594 16.3-172.4-160.8 90.8 -57.5 10.8 -30.6 1603 966 A E H 3> S+ 0 0 126 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.907 90.2 51.7 -51.0 -49.4 -55.3 9.8 -27.6 1604 967 A Q H 34 S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.2 0, 0.0 0.129 111.5 49.1 -81.8 23.3 -52.2 11.6 -29.0 1605 968 A K H <> S+ 0 0 90 -3,-1.9 4,-1.1 3,-0.1 -1,-0.2 0.518 110.6 45.8-125.7 -31.1 -54.3 14.8 -29.4 1606 969 A L H < S+ 0 0 17 -4,-1.8 4,-0.5 -3,-0.3 -2,-0.2 0.693 110.0 58.4 -81.7 -22.4 -55.9 15.0 -26.0 1607 970 A D T X S+ 0 0 34 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.798 105.5 48.7 -72.6 -30.9 -52.4 14.2 -24.6 1608 971 A E H > S+ 0 0 128 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.831 106.3 55.3 -77.0 -34.4 -51.1 17.4 -26.4 1609 972 A A H X S+ 0 0 0 -4,-1.1 4,-0.6 1,-0.2 -1,-0.2 0.668 113.2 44.7 -70.2 -16.4 -54.0 19.5 -25.0 1610 973 A L H 4 S+ 0 0 12 -4,-0.5 -2,-0.2 2,-0.2 -1,-0.2 0.765 105.4 58.6 -94.3 -33.3 -52.8 18.2 -21.6 1611 974 A Y H X S+ 0 0 91 -4,-1.5 4,-0.5 1,-0.2 3,-0.3 0.731 110.9 44.1 -70.4 -22.5 -49.1 18.8 -22.1 1612 975 A H H X S+ 0 0 69 -4,-1.2 4,-1.6 2,-0.2 3,-0.4 0.810 106.8 56.9 -89.8 -36.2 -49.8 22.5 -22.8 1613 976 A G H < S+ 0 0 0 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.089 109.2 54.2 -76.0 24.4 -52.2 22.8 -19.9 1614 977 A A H > S+ 0 0 0 -3,-0.3 4,-0.6 3,-0.1 -1,-0.2 0.552 108.2 40.5-128.5 -31.2 -49.1 21.6 -18.0 1615 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