==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-JUL-10 3NWI . COMPND 2 MOLECULE: ZINC TRANSPORT PROTEIN ZNTB; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR Q.WAN,C.DEALWIS . 1238 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 925 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 150 12.1 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 . 10 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 15 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 . 66 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 529 42.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 3 0 0 5 0 5 0 0 5 0 0 0 0 0 0 0 0 0 0 0 0 0 5 0 0 0 10 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 5 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 5 5 10 5 5 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 . 5 0 0 0 0 5 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 2 A H 0 0 136 0, 0.0 2,-0.3 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 10.7 23.3 26.3 -52.3 2 3 A M - 0 0 46 83,-0.0 2,-0.4 1,-0.0 36,-0.2 -0.794 360.0 -85.6-121.8 163.3 25.3 23.2 -53.0 3 4 A E - 0 0 157 -2,-0.3 103,-0.0 1,-0.1 -1,-0.0 -0.507 45.3-123.4 -71.0 119.5 24.8 20.0 -54.9 4 5 A A - 0 0 60 -2,-0.4 2,-0.3 1,-0.1 33,-0.2 -0.178 29.0-143.5 -57.2 150.3 23.2 17.2 -52.8 5 6 A I E -A 36 0A 16 31,-1.6 31,-1.6 101,-0.1 2,-0.2 -0.816 10.7-111.7-122.3 157.8 25.1 13.9 -52.4 6 7 A K E -A 35 0A 145 -2,-0.3 4,-0.3 29,-0.2 29,-0.2 -0.560 29.5-120.9 -82.5 153.1 24.4 10.2 -52.2 7 8 A G S S+ 0 0 0 25,-0.8 3,-0.4 27,-0.6 26,-0.2 0.713 108.6 55.2 -67.3 -21.6 25.0 8.4 -48.9 8 9 A S S > S+ 0 0 47 24,-0.7 3,-1.2 1,-0.2 -1,-0.2 0.908 84.9 77.0 -78.3 -44.5 27.5 6.0 -50.5 9 10 A D T 3 S+ 0 0 83 1,-0.3 53,-0.2 23,-0.2 -1,-0.2 0.581 100.8 44.6 -49.4 -15.1 29.9 8.5 -52.1 10 11 A V T 3 S+ 0 0 2 -3,-0.4 2,-0.7 -4,-0.3 -1,-0.3 -0.346 80.1 137.2-123.9 52.2 31.5 9.1 -48.7 11 12 A N < + 0 0 88 -3,-1.2 -3,-0.1 21,-0.0 7,-0.0 -0.880 22.3 173.3-109.4 110.8 31.8 5.6 -47.3 12 13 A V - 0 0 8 -2,-0.7 3,-0.3 1,-0.1 41,-0.1 -0.942 23.0-147.6-114.5 135.1 35.0 4.7 -45.5 13 14 A P S S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 40,-0.0 0.950 94.2 29.1 -68.4 -59.7 35.4 1.3 -43.8 14 15 A D S S+ 0 0 49 33,-0.0 2,-0.4 3,-0.0 33,-0.2 0.169 83.3 144.5 -91.3 16.1 37.7 1.9 -40.8 15 16 A A - 0 0 14 -3,-0.3 31,-0.2 1,-0.2 -3,-0.1 -0.414 53.5-136.6 -58.9 112.6 36.5 5.5 -40.5 16 17 A V S S+ 0 0 51 29,-0.4 2,-0.3 -2,-0.4 30,-0.2 0.870 85.6 1.2 -34.9 -56.3 36.5 6.2 -36.7 17 18 A F E +B 45 0B 41 28,-1.1 28,-1.1 2,-0.0 -1,-0.0 -0.877 55.9 178.5-129.3 163.8 33.1 8.0 -37.2 18 19 A A E +B 44 0B 26 -2,-0.3 12,-2.4 26,-0.2 26,-0.2 -0.304 27.6 168.7-162.4 72.4 30.8 8.6 -40.2 19 20 A W E -BC 43 29B 22 24,-2.0 24,-3.4 10,-0.2 2,-0.5 -0.547 32.7-146.6-102.1 155.7 27.7 10.5 -39.0 20 21 A L E -BC 42 28B 15 8,-2.2 8,-0.9 22,-0.2 22,-0.2 -0.976 26.5-133.0-111.5 123.1 24.8 12.3 -40.5 21 22 A L E - C 0 27B 0 20,-2.5 6,-0.2 -2,-0.5 112,-0.1 -0.531 4.4-149.7 -73.0 141.2 23.5 15.2 -38.4 22 23 A D - 0 0 40 4,-2.1 -1,-0.1 -2,-0.2 5,-0.1 0.678 30.5-126.0 -85.2 -16.4 19.8 15.2 -37.9 23 24 A G S S+ 0 0 33 3,-0.5 110,-0.1 109,-0.2 17,-0.1 0.478 100.0 81.2 83.5 -0.5 19.6 19.0 -37.6 24 25 A R S S- 0 0 204 2,-0.1 109,-0.1 108,-0.1 3,-0.1 0.535 121.8 -80.2-106.3 -17.3 17.8 18.6 -34.3 25 26 A G S S+ 0 0 3 1,-0.4 106,-2.0 107,-0.1 104,-0.3 0.567 98.3 68.3 128.9 20.9 21.0 18.0 -32.3 26 27 A G - 0 0 3 104,-0.2 -4,-2.1 103,-0.1 -3,-0.5 -0.720 58.8-125.9-148.5-165.2 22.0 14.3 -32.8 27 28 A V E -C 21 0B 31 99,-0.7 -6,-0.2 -6,-0.2 -8,-0.0 -0.895 7.4-161.5-148.8 171.1 23.3 11.7 -35.2 28 29 A K E -C 20 0B 71 -8,-0.9 -8,-2.2 -2,-0.3 3,-0.1 -0.921 43.0 -92.6-158.1 137.1 23.0 8.4 -36.9 29 30 A P E -C 19 0B 86 0, 0.0 2,-0.5 0, 0.0 -10,-0.2 -0.172 53.1 -98.8 -51.2 142.4 25.6 6.3 -38.7 30 31 A L - 0 0 19 -12,-2.4 2,-0.2 -20,-0.1 -11,-0.1 -0.543 42.7-171.7 -78.0 117.0 25.8 7.0 -42.5 31 32 A E > - 0 0 122 -2,-0.5 3,-1.4 -3,-0.1 -3,-0.0 -0.632 36.2-105.7-104.1 166.3 23.9 4.5 -44.6 32 33 A D T 3 S+ 0 0 86 1,-0.3 -25,-0.8 -2,-0.2 -24,-0.7 0.705 114.3 52.1 -67.8 -21.3 23.9 4.2 -48.4 33 34 A N T 3 S+ 0 0 164 -26,-0.2 2,-0.3 -27,-0.1 -1,-0.3 0.068 83.2 111.9-106.4 25.6 20.4 5.7 -49.0 34 35 A D < - 0 0 27 -3,-1.4 -27,-0.6 2,-0.0 2,-0.4 -0.717 61.5-132.6 -92.9 145.0 20.8 8.8 -46.9 35 36 A V E -A 6 0A 82 -2,-0.3 2,-0.5 -29,-0.2 -29,-0.2 -0.818 14.5-151.3 -98.5 144.7 20.9 12.3 -48.5 36 37 A I E +A 5 0A 1 -31,-1.6 -31,-1.6 -2,-0.4 2,-0.2 -0.943 34.6 126.3-119.7 113.3 23.5 14.8 -47.6 37 38 A D S S- 0 0 38 3,-1.2 3,-0.1 -2,-0.5 -34,-0.1 -0.833 73.5 -68.6-145.2-173.5 22.9 18.6 -47.7 38 39 A S S S+ 0 0 42 -2,-0.2 97,-0.3 1,-0.2 -1,-0.0 0.903 129.5 50.1 -44.7 -49.9 23.1 21.7 -45.7 39 40 A Q S S+ 0 0 128 1,-0.3 -1,-0.2 95,-0.1 -3,-0.0 0.887 124.8 26.3 -64.1 -44.0 20.2 20.6 -43.5 40 41 A H S S- 0 0 76 -3,-0.1 -3,-1.2 -17,-0.1 -1,-0.3 -0.790 85.4-173.6-118.6 87.9 21.7 17.2 -42.8 41 42 A P - 0 0 0 0, 0.0 -20,-2.5 0, 0.0 2,-0.5 -0.320 20.5-122.9 -76.8 162.6 25.5 17.5 -43.1 42 43 A C E -Bd 20 107B 0 64,-2.1 66,-3.0 -22,-0.2 2,-0.6 -0.903 16.4-156.2-109.1 133.5 27.9 14.5 -43.0 43 44 A W E -Bd 19 108B 0 -24,-3.4 -24,-2.0 -2,-0.5 2,-0.6 -0.891 7.8-172.6-113.4 109.2 30.7 14.3 -40.5 44 45 A L E -Bd 18 109B 0 64,-2.8 66,-3.1 -2,-0.6 2,-0.7 -0.863 3.7-167.1 -97.4 121.6 33.7 12.0 -41.3 45 46 A H E -Bd 17 110B 3 -28,-1.1 -28,-1.1 -2,-0.6 -29,-0.4 -0.818 16.2-175.6-111.3 96.0 36.2 11.6 -38.5 46 47 A L E - d 0 111B 0 64,-2.2 66,-2.3 -2,-0.7 2,-0.7 -0.620 30.2-148.5 -97.3 147.2 39.4 10.0 -39.9 47 48 A N E > - d 0 112B 11 -2,-0.3 3,-2.5 64,-0.2 7,-0.2 -0.943 18.5-154.8-102.2 104.4 42.6 8.8 -38.3 48 49 A Y T 3 S+ 0 0 50 64,-1.3 65,-0.1 -2,-0.7 -1,-0.1 0.447 86.3 73.3 -70.9 7.8 44.9 9.5 -41.2 49 50 A T T 3 S+ 0 0 79 63,-0.4 -1,-0.3 64,-0.1 64,-0.1 0.457 79.4 88.2 -96.1 -7.1 47.2 6.8 -39.8 50 51 A H S <> S- 0 0 70 -3,-2.5 4,-2.7 1,-0.1 5,-0.3 -0.661 80.1-124.3 -92.1 152.2 44.9 3.9 -40.9 51 52 A P H > S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.983 108.2 40.2 -53.0 -76.3 45.1 2.3 -44.4 52 53 A D H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.761 117.9 53.0 -47.4 -33.5 41.6 2.7 -45.7 53 54 A S H > S+ 0 0 0 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.955 112.5 38.6 -70.2 -53.7 41.5 6.2 -44.2 54 55 A A H X S+ 0 0 42 -4,-2.7 4,-1.9 -3,-0.3 -2,-0.2 0.829 117.6 53.9 -70.8 -30.2 44.7 7.6 -45.7 55 56 A R H >X S+ 0 0 158 -4,-2.9 4,-2.2 -5,-0.3 3,-0.6 0.992 109.6 45.1 -58.9 -65.8 43.8 5.8 -48.9 56 57 A W H 3X S+ 0 0 23 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.815 110.7 58.1 -46.5 -37.3 40.3 7.3 -49.1 57 58 A L H 3< S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.929 110.4 39.2 -62.4 -46.6 42.0 10.7 -48.3 58 59 A A H << S+ 0 0 71 -4,-1.9 -2,-0.2 -3,-0.6 -1,-0.2 0.782 126.1 37.3 -75.0 -27.5 44.3 10.6 -51.3 59 60 A S H < S+ 0 0 76 -4,-2.2 4,-0.2 -5,-0.1 -3,-0.2 0.949 81.5 100.2 -87.9 -75.5 41.7 9.2 -53.6 60 61 A T >< - 0 0 9 -4,-0.8 3,-0.7 1,-0.1 -50,-0.1 0.356 62.1-140.2 -26.7 136.7 38.1 10.4 -53.0 61 62 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.594 87.4 88.5 -75.4 -15.2 36.9 13.2 -55.5 62 63 A L T 3 S+ 0 0 32 -53,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.369 83.1 62.8 -72.8 4.7 35.2 15.0 -52.6 63 64 A L S < S- 0 0 5 -3,-0.7 3,-0.0 -4,-0.2 39,-0.0 -0.980 82.5-120.5-130.7 145.1 38.4 17.0 -51.8 64 65 A P > - 0 0 38 0, 0.0 4,-1.0 0, 0.0 -2,-0.0 -0.224 36.0-103.8 -69.5 169.6 40.5 19.5 -53.8 65 66 A N H >> S+ 0 0 133 1,-0.2 3,-1.4 2,-0.2 4,-0.7 0.994 113.8 50.9 -55.2 -70.8 44.1 18.7 -54.6 66 67 A N H 3> S+ 0 0 58 1,-0.3 4,-1.2 2,-0.2 3,-0.2 0.721 104.7 56.5 -40.9 -41.3 45.8 21.0 -52.1 67 68 A V H 3> S+ 0 0 0 1,-0.2 4,-4.4 2,-0.2 5,-0.4 0.876 93.1 69.1 -66.0 -38.5 43.8 19.8 -49.0 68 69 A R H <>S+ 0 0 110 -4,-0.7 5,-1.3 -3,-0.2 3,-1.2 0.966 119.5 38.6 -51.0 -61.4 48.4 16.9 -48.5 70 71 A A H ><>S+ 0 0 16 -4,-1.2 3,-2.3 1,-0.3 5,-0.6 0.911 111.8 56.2 -61.1 -46.4 47.5 19.0 -45.5 71 72 A L H 3<5S+ 0 0 0 -4,-4.4 -1,-0.3 1,-0.3 -2,-0.2 0.727 104.0 60.6 -54.0 -18.6 44.6 16.8 -44.4 72 73 A A T <<5S- 0 0 47 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.441 133.7 -82.1 -97.2 -2.6 47.2 14.1 -44.4 73 74 A G T < 5S+ 0 0 25 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.407 91.6 123.5 124.7 3.9 49.4 15.7 -41.8 74 75 A E T < + 0 0 147 -5,-1.3 2,-0.2 -4,-0.2 -4,-0.2 0.589 56.9 79.6 -76.0 -11.3 51.4 18.2 -43.7 75 76 A S < + 0 0 27 -5,-0.6 4,-0.0 -6,-0.2 25,-0.0 -0.650 39.1 166.5-101.6 153.4 50.5 21.3 -41.7 76 77 A S + 0 0 60 -2,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.626 58.3 70.2-123.7 -55.4 51.7 22.5 -38.3 77 78 A R S S- 0 0 57 1,-0.1 2,-0.2 115,-0.0 -1,-0.2 -0.366 88.4-104.3 -71.7 144.8 50.5 26.1 -37.8 78 79 A P + 0 0 4 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.496 58.3 152.8 -61.2 135.1 46.9 27.0 -37.1 79 80 A R E -E 90 0B 95 11,-1.3 11,-2.5 -2,-0.2 2,-0.4 -0.963 41.2-144.2-164.6 145.3 45.4 28.4 -40.2 80 81 A V E +E 89 0B 14 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.969 27.3 178.9-110.9 137.1 42.2 28.9 -42.1 81 82 A S E -E 88 0B 32 7,-1.9 7,-2.8 -2,-0.4 2,-0.6 -0.994 22.3-129.9-138.1 143.0 42.5 28.7 -45.9 82 83 A R E -E 87 0B 68 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.837 18.0-177.8-105.9 122.0 39.8 28.9 -48.5 83 84 A M E > -E 86 0B 30 3,-1.4 2,-1.5 -2,-0.6 3,-1.2 -0.407 59.8 -98.7-105.6 51.3 39.5 26.4 -51.3 84 85 A G T 3 S+ 0 0 45 1,-0.3 -1,-0.1 544,-0.2 544,-0.0 -0.499 110.3 12.1 75.4 -88.7 36.6 28.3 -52.9 85 86 A E T 3 S+ 0 0 98 -2,-1.5 -1,-0.3 -3,-0.1 20,-0.1 0.904 129.0 57.1 -81.5 -51.8 33.5 26.4 -51.7 86 87 A G E < S-E 83 0B 0 -3,-1.2 -3,-1.4 18,-0.1 2,-0.4 -0.124 71.4-144.5 -75.9 172.7 35.4 24.4 -49.1 87 88 A T E -EF 82 103B 0 16,-0.9 16,-2.7 -5,-0.2 2,-0.6 -0.994 1.0-152.9-142.4 133.2 37.5 25.6 -46.2 88 89 A L E -EF 81 102B 14 -7,-2.8 -7,-1.9 -2,-0.4 2,-0.4 -0.947 19.1-179.9-110.2 116.9 40.7 24.0 -44.7 89 90 A I E -EF 80 101B 0 12,-3.3 12,-2.8 -2,-0.6 2,-0.5 -0.948 13.8-162.4-121.3 135.4 41.3 24.7 -41.1 90 91 A T E +EF 79 100B 3 -11,-2.5 -11,-1.3 -2,-0.4 2,-0.3 -0.989 18.0 176.9-115.9 121.7 44.2 23.5 -39.0 91 92 A L E - F 0 99B 1 8,-2.7 8,-1.3 -2,-0.5 2,-0.3 -0.911 12.1-156.0-124.2 154.8 43.7 23.7 -35.2 92 93 A R E + F 0 98B 23 -2,-0.3 6,-0.2 6,-0.2 2,-0.2 -0.930 14.9 163.1-124.9 149.2 45.8 22.6 -32.1 93 94 A C 0 0 6 4,-2.0 4,-0.4 -2,-0.3 53,-0.0 -0.442 360.0 360.0-134.9-139.4 45.2 21.8 -28.4 94 95 A I 0 0 91 2,-0.2 -1,-0.1 -2,-0.2 4,-0.1 0.398 360.0 360.0-158.2 360.0 46.9 20.1 -25.5 95 ! 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 96 106 A L 0 0 61 0, 0.0 -2,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 124.0 50.9 19.5 -28.8 97 107 A V - 0 0 15 -4,-0.4 -4,-2.0 1,-0.0 2,-0.2 -0.487 360.0-152.5 -83.8 149.9 48.0 17.6 -30.5 98 108 A A E -F 92 0B 15 -6,-0.2 15,-0.4 -2,-0.2 2,-0.3 -0.728 16.2-172.2-125.6 175.7 46.5 18.5 -33.9 99 109 A M E -F 91 0B 3 -8,-1.3 -8,-2.7 -2,-0.2 2,-0.4 -0.887 7.0-165.9-169.2 115.1 43.4 18.3 -35.9 100 110 A R E +FG 90 111B 14 11,-2.4 11,-3.5 -2,-0.3 2,-0.3 -0.941 13.3 176.1-115.1 138.1 42.9 19.2 -39.5 101 111 A L E -FG 89 110B 0 -12,-2.8 -12,-3.3 -2,-0.4 2,-0.4 -0.995 20.0-162.0-143.7 146.8 39.5 19.6 -41.1 102 112 A Y E +FG 88 109B 13 7,-2.1 7,-2.4 -2,-0.3 2,-0.4 -0.997 26.1 171.5-122.6 131.9 38.0 20.6 -44.5 103 113 A M E +FG 87 108B 0 -16,-2.7 -16,-0.9 -2,-0.4 2,-0.2 -0.999 21.2 169.4-148.7 141.7 34.4 21.7 -44.6 104 114 A D - 0 0 2 3,-1.6 -18,-0.1 -2,-0.4 3,-0.1 -0.681 61.9 -78.9-124.4-170.9 31.8 23.2 -46.7 105 115 A E S S+ 0 0 22 -2,-0.2 30,-0.4 1,-0.2 -68,-0.1 0.835 126.5 51.4 -62.8 -28.2 28.0 23.4 -46.0 106 116 A R S S+ 0 0 36 1,-0.2 -64,-2.1 -65,-0.1 2,-0.3 0.853 117.5 2.4 -79.0 -40.7 27.4 19.7 -46.9 107 117 A F E -d 42 0B 2 -66,-0.3 -3,-1.6 -3,-0.1 2,-0.5 -0.993 48.1-142.6-153.8 159.0 30.1 18.0 -44.9 108 118 A I E -dG 43 103B 0 -66,-3.0 -64,-2.8 -2,-0.3 2,-0.5 -0.982 16.4-173.6-119.7 121.8 32.9 18.1 -42.3 109 119 A V E -dG 44 102B 0 -7,-2.4 -7,-2.1 -2,-0.5 2,-0.4 -0.972 9.3-175.8-117.5 119.8 35.9 15.8 -42.7 110 120 A S E -dG 45 101B 0 -66,-3.1 -64,-2.2 -2,-0.5 2,-0.5 -0.961 7.3-163.3-124.0 131.1 38.3 15.9 -39.8 111 121 A T E +dG 46 100B 1 -11,-3.5 -11,-2.4 -2,-0.4 2,-0.3 -0.945 15.3 162.3-118.7 122.6 41.6 14.1 -39.6 112 122 A R E -d 47 0B 11 -66,-2.3 -64,-1.3 -2,-0.5 -63,-0.4 -0.838 25.2-164.8-122.4 168.5 43.7 13.4 -36.4 113 123 A Q S S+ 0 0 101 1,-0.5 2,-0.3 -15,-0.4 -1,-0.1 0.652 83.9 38.9-109.0 -61.7 46.5 11.1 -35.4 114 124 A R S S- 0 0 155 -16,-0.1 -1,-0.5 1,-0.1 -16,-0.1 -0.700 105.8 -91.2 -87.6 144.4 46.5 11.3 -31.6 115 125 A K - 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0 0 71 -3,-0.2 3,-0.1 1,-0.1 74,-0.0 -0.335 360.0-105.7 -80.6 162.8 56.1 47.5 9.0 419 184 B P - 0 0 37 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.377 44.6 -79.9 -83.7 166.6 52.9 45.3 9.0 420 185 B P > - 0 0 94 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.482 62.0 -91.9 -65.1 131.0 52.0 42.3 11.2 421 186 B R T 3 S+ 0 0 111 1,-0.2 -3,-0.0 -2,-0.2 0, 0.0 -0.129 108.6 10.9 -48.2 131.2 53.8 39.1 10.2 422 187 B G T 3> S+ 0 0 60 -3,-0.1 4,-1.1 1,-0.1 -1,-0.2 0.515 96.0 106.5 78.0 5.8 51.7 37.0 7.7 423 188 B F H <> S+ 0 0 71 -3,-1.9 4,-1.2 2,-0.2 5,-0.1 0.881 75.0 56.0 -79.1 -40.8 49.1 39.7 7.1 424 189 B L H > S+ 0 0 21 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.715 106.7 52.0 -65.8 -23.3 50.4 40.5 3.6 425 190 B A H > S+ 0 0 59 2,-0.2 4,-3.4 3,-0.2 -1,-0.2 0.868 102.0 57.1 -80.2 -38.9 49.9 36.8 2.7 426 191 B L H X S+ 0 0 45 -4,-1.1 4,-1.5 2,-0.2 -2,-0.2 0.787 113.3 43.4 -62.0 -26.4 46.3 36.7 3.9 427 192 B L H X S+ 0 0 3 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.913 112.4 49.0 -81.1 -51.7 45.6 39.5 1.4 428 193 B R H X S+ 0 0 31 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.938 112.0 53.2 -49.4 -45.6 47.7 38.1 -1.4 429 194 B K H X S+ 0 0 156 -4,-3.4 4,-2.7 2,-0.2 -1,-0.2 0.941 110.8 44.4 -56.2 -52.3 45.7 34.8 -0.7 430 195 B Q H X S+ 0 0 69 -4,-1.5 4,-3.0 1,-0.2 -2,-0.2 0.937 111.9 52.1 -59.7 -51.1 42.3 36.6 -1.0 431 196 B L H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.876 113.4 45.3 -48.0 -43.5 43.3 38.5 -4.1 432 197 B I H X S+ 0 0 14 -4,-2.3 4,-2.8 -5,-0.3 -2,-0.2 0.910 110.5 52.0 -74.5 -43.1 44.4 35.3 -5.8 433 198 B V H X S+ 0 0 52 -4,-2.7 4,-1.2 -5,-0.2 5,-0.2 0.945 112.1 48.1 -53.8 -51.5 41.3 33.4 -4.7 434 199 B M H >X S+ 0 0 2 -4,-3.0 4,-3.5 1,-0.2 3,-1.1 0.965 111.9 48.0 -54.2 -58.2 39.2 36.2 -6.2 435 200 B R H 3X S+ 0 0 37 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.901 104.7 61.4 -52.4 -42.4 41.2 36.2 -9.5 436 201 B R H 3< S+ 0 0 86 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 121.7 21.5 -55.9 -33.6 40.9 32.4 -9.7 437 202 B Y H S+ 0 0 11 0, 0.0 4,-1.8 0, 0.0 -2,-0.2 0.836 112.9 57.0 -60.8 -38.6 36.2 32.5 -15.6 441 206 B Q H X S+ 0 0 2 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.834 103.9 53.7 -64.5 -30.8 33.0 34.1 -14.3 442 207 B R H X S+ 0 0 32 -4,-0.9 4,-2.6 -3,-0.3 -1,-0.2 0.862 104.0 54.1 -70.5 -36.8 33.8 37.0 -16.6 443 208 B D H X S+ 0 0 28 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.919 108.6 51.4 -56.6 -43.0 34.1 34.7 -19.6 444 209 B V H X S+ 0 0 7 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.936 109.8 47.5 -61.8 -50.2 30.6 33.4 -18.7 445 210 B Y H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.978 113.8 48.0 -51.2 -57.7 29.2 36.9 -18.5 446 211 B A H < S+ 0 0 9 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.861 112.1 50.0 -51.4 -44.1 30.8 37.8 -21.8 447 212 B R H >X S+ 0 0 34 -4,-2.7 3,-2.7 1,-0.2 4,-2.6 0.920 106.1 53.3 -64.2 -48.5 29.6 34.6 -23.5 448 213 B L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 5,-0.2 0.717 103.9 60.1 -58.6 -23.3 26.0 35.1 -22.3 449 214 B A T 3< S+ 0 0 10 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.519 115.5 32.8 -82.6 -3.5 26.3 38.5 -24.0 450 215 B S T <4 S+ 0 0 17 -3,-2.7 -2,-0.2 -4,-0.1 -3,-0.1 0.751 95.6 82.8-117.5 -53.8 27.0 36.7 -27.3 451 216 B E S < S- 0 0 26 -4,-2.6 2,-1.1 -237,-0.1 -239,-0.1 -0.358 78.9-131.7 -49.7 127.0 25.1 33.4 -27.4 452 217 B R - 0 0 30 -241,-0.1 -1,-0.1 -2,-0.0 -3,-0.1 -0.770 29.2-175.6 -90.7 101.0 21.6 34.3 -28.6 453 218 B L > - 0 0 5 -2,-1.1 3,-1.2 -5,-0.2 -120,-0.0 -0.672 33.1-122.8 -89.4 151.6 19.2 32.5 -26.2 454 219 B P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -102,-0.0 0.951 109.7 53.2 -53.3 -48.6 15.5 32.7 -26.8 455 220 B W T 3 S+ 0 0 17 -3,-0.1 -71,-0.8 2,-0.0 2,-0.5 0.386 96.4 77.8 -76.8 5.3 14.9 34.2 -23.4 456 221 B M < - 0 0 5 -3,-1.2 2,-0.1 -72,-0.1 -3,-0.1 -0.961 68.1-144.1-124.6 127.3 17.3 37.1 -23.6 457 222 B S > - 0 0 47 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.356 30.5-111.9 -85.2 163.3 16.7 40.3 -25.6 458 223 B D H > S+ 0 0 111 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.885 125.2 59.6 -58.5 -33.1 19.2 42.3 -27.5 459 224 B D H > S+ 0 0 66 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.921 105.5 44.8 -57.1 -49.8 18.4 44.7 -24.6 460 225 B H H > S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.858 109.0 56.0 -65.3 -39.8 19.6 42.1 -22.0 461 226 B R H X S+ 0 0 26 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.880 100.8 57.9 -61.2 -37.3 22.7 41.2 -24.0 462 227 B R H X S+ 0 0 89 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.880 109.4 47.8 -57.2 -35.1 23.8 44.8 -24.0 463 228 B R H X S+ 0 0 18 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.886 105.6 53.8 -74.4 -41.1 23.7 44.5 -20.2 464 229 B M H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -15,-0.2 0.836 108.0 54.5 -65.5 -28.4 25.6 41.3 -20.0 465 230 B Q H X S+ 0 0 69 -4,-2.1 4,-3.0 -5,-0.2 5,-0.3 0.969 106.4 50.5 -62.4 -55.3 28.2 43.2 -21.9 466 231 B D H X S+ 0 0 17 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.932 114.5 43.8 -33.7 -64.6 28.2 45.9 -19.3 467 232 B I H X S+ 0 0 1 -4,-2.5 4,-3.1 1,-0.2 5,-0.4 0.932 113.8 48.9 -62.5 -54.5 28.6 43.5 -16.5 468 233 B A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.939 113.8 45.4 -46.0 -57.6 31.3 41.4 -18.2 469 234 B D H X S+ 0 0 70 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.890 116.1 49.2 -60.8 -35.6 33.3 44.5 -19.2 470 235 B R H X S+ 0 0 26 -4,-2.8 4,-1.9 -5,-0.3 3,-0.4 0.994 111.6 44.2 -65.1 -68.3 32.9 45.8 -15.6 471 236 B L H X S+ 0 0 9 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.848 109.8 63.7 -39.3 -38.3 33.9 42.6 -13.9 472 237 B G H >X S+ 0 0 2 -4,-2.7 4,-1.5 -5,-0.4 3,-1.0 0.968 101.4 46.1 -52.2 -57.2 36.6 42.7 -16.5 473 238 B R H 3X S+ 0 0 66 -4,-2.1 4,-2.2 -3,-0.4 -1,-0.2 0.796 105.1 62.6 -58.8 -31.0 38.1 45.9 -15.1 474 239 B G H 3X S+ 0 0 15 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.861 100.2 53.3 -60.8 -36.2 37.8 44.5 -11.6 475 240 B L H X S+ 0 0 4 -4,-2.6 4,-1.4 2,-0.2 3,-1.0 0.918 108.3 51.1 -75.8 -45.4 48.7 41.5 -6.4 483 248 B A H 3X S+ 0 0 67 -4,-2.0 4,-0.6 1,-0.3 -1,-0.2 0.686 111.4 52.6 -64.4 -17.2 51.7 42.9 -8.2 484 249 B R H 3X S+ 0 0 41 -4,-1.6 4,-1.1 2,-0.2 -1,-0.3 0.544 104.0 52.9 -98.3 -12.9 51.8 45.4 -5.4 485 250 B T H <> S+ 0 0 4 -3,-1.0 4,-0.5 -4,-0.5 -2,-0.2 0.646 107.5 53.7 -86.8 -21.3 51.8 42.8 -2.6 486 251 B G H < S+ 0 0 25 -4,-1.4 4,-0.2 2,-0.2 -2,-0.2 0.807 112.1 45.5 -74.3 -32.8 54.8 41.2 -4.4 487 252 B I H >X S+ 0 0 92 -4,-0.6 4,-1.9 1,-0.2 3,-1.3 0.882 108.3 54.3 -74.4 -42.3 56.5 44.6 -4.3 488 253 B M H 3< S+ 0 0 13 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.671 103.3 58.3 -69.9 -15.6 55.6 45.3 -0.7 489 254 B A T 3X S+ 0 0 42 -4,-0.5 4,-0.8 2,-0.2 -1,-0.3 0.565 107.4 46.9 -89.2 -10.8 57.2 41.9 0.3 490 255 B D T <4 S+ 0 0 82 -3,-1.3 4,-0.5 -4,-0.2 -2,-0.2 0.753 109.7 50.7 -95.6 -34.0 60.5 43.1 -1.2 491 256 B E T X S+ 0 0 86 -4,-1.9 4,-0.6 1,-0.2 -2,-0.2 0.440 113.9 50.9 -76.1 -0.7 60.4 46.5 0.4 492 257 B I H > S+ 0 0 49 -5,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.735 105.7 49.0-103.7 -37.5 59.8 44.4 3.6 493 258 B A H < S+ 0 0 64 -4,-0.8 -2,-0.2 2,-0.2 -3,-0.1 0.560 114.7 51.8 -74.9 -8.3 62.7 42.0 3.2 494 259 B Q H >4 S+ 0 0 132 -4,-0.5 3,-1.7 2,-0.2 -2,-0.2 0.852 106.9 47.6 -89.2 -48.2 64.7 45.2 2.6 495 260 B V H 3< S+ 0 0 109 -4,-0.6 -2,-0.2 1,-0.3 -3,-0.1 0.594 117.9 46.2 -66.9 -14.3 63.4 47.0 5.8 496 261 B M T 3< 0 0 160 -4,-0.6 -1,-0.3 0, 0.0 -2,-0.2 -0.059 360.0 360.0-114.3 28.7 64.3 43.6 7.4 497 262 B Q < 0 0 106 -3,-1.7 -3,-0.1 -5,-0.0 -4,-0.0 -0.246 360.0 360.0-108.8 360.0 67.7 43.5 5.6 498 !* 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 0.0 499 2 C H 0 0 137 0, 0.0 2,-0.3 0, 0.0 36,-0.0 0.000 360.0 360.0 360.0 10.2 29.4 52.8 -62.3 500 3 C M - 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