==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2004 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 19-MAY-98 1BE3 . COMPND 2 MOLECULE: CYTOCHROME BC1 COMPLEX; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.IWATA,J.W.LEE,K.OKADA,J.K.LEE,M.IWATA,S.RAMASWAMY,B.K.JAP . 2049 11 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 92813.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1488 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 152 7.4 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.4 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 . 1 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 . 98 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 305 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 824 40.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.5 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 1 2 2 4 5 6 3 7 4 8 3 0 2 2 3 3 1 4 0 0 1 0 0 0 0 2 4 RESIDUES PER ALPHA HELIX . 1 2 0 2 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 . 10 3 6 4 3 2 1 3 1 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 . 2 2 0 2 1 0 2 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 1 A T 0 0 161 0, 0.0 2,-0.2 0, 0.0 637,-0.0 0.000 360.0 360.0 360.0 158.7 -4.6 141.0 -24.6 2 2 A A - 0 0 35 538,-0.1 2,-0.3 4,-0.0 3,-0.0 -0.864 360.0-137.8-178.4 139.2 -1.5 142.5 -22.9 3 3 A T >> - 0 0 59 -2,-0.2 4,-0.8 1,-0.1 3,-0.8 -0.821 29.2-102.8-118.0 151.0 1.5 141.1 -21.2 4 4 A Y H 3> S+ 0 0 15 -2,-0.3 4,-2.5 1,-0.3 -1,-0.1 0.723 118.7 47.5 -37.1 -61.2 3.5 141.9 -18.1 5 5 A A H 3> S+ 0 0 57 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.925 111.3 51.7 -38.5 -66.6 6.4 143.6 -19.8 6 6 A Q H X> S+ 0 0 132 -3,-0.8 3,-2.8 1,-0.3 4,-1.4 0.917 107.6 51.5 -40.1 -73.8 4.1 145.7 -21.9 7 7 A A H 3< S+ 0 0 9 -4,-0.8 3,-0.3 1,-0.3 -1,-0.3 0.739 106.5 57.0 -23.5 -59.8 2.1 146.9 -18.9 8 8 A L H >< S+ 0 0 11 -4,-2.5 3,-1.1 -5,-0.2 -1,-0.3 0.870 107.4 44.7 -47.3 -46.9 5.3 147.9 -17.3 9 9 A Q H << S+ 0 0 158 -3,-2.8 -1,-0.2 -4,-1.5 -2,-0.2 0.834 107.6 61.5 -75.9 -25.0 6.5 150.2 -20.1 10 10 A S T 3< S+ 0 0 69 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.214 76.3 119.6 -82.7 7.0 3.0 151.7 -20.4 11 11 A V S < S- 0 0 30 -3,-1.1 2,-0.4 -4,-0.2 382,-0.1 -0.660 76.7 -95.8 -87.2 138.6 2.9 153.1 -16.8 12 12 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.359 43.2-125.4 -52.7 109.0 2.5 156.8 -16.4 13 13 A E - 0 0 164 -2,-0.4 2,-0.5 1,-0.1 16,-0.4 0.167 21.0-113.6 -55.6 158.5 5.9 158.5 -15.9 14 14 A T - 0 0 22 14,-0.1 2,-0.7 376,-0.1 14,-0.2 -0.857 21.5-139.9-102.7 131.0 6.6 160.6 -13.0 15 15 A Q - 0 0 90 12,-2.1 2,-0.4 -2,-0.5 12,-0.2 -0.798 15.7-168.1 -95.6 112.1 7.2 164.3 -13.5 16 16 A V + 0 0 40 -2,-0.7 2,-0.3 10,-0.2 10,-0.2 -0.776 17.3 162.1 -95.4 137.1 9.9 165.8 -11.4 17 17 A S E -A 25 0A 37 8,-1.9 8,-3.0 -2,-0.4 2,-0.4 -0.986 22.4-137.1-147.2 171.0 10.1 169.6 -11.3 18 18 A Q E -A 24 0A 125 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.968 2.5-143.9-144.2 132.9 11.7 172.3 -9.2 19 19 A L > - 0 0 5 4,-1.9 3,-1.1 -2,-0.4 6,-0.0 -0.184 45.3 -94.1 -78.7 167.5 10.9 175.7 -7.8 20 20 A D T 3 S+ 0 0 156 1,-0.3 -1,-0.1 2,-0.2 197,-0.0 0.912 127.1 46.7 -54.8 -41.1 13.4 178.5 -7.5 21 21 A N T 3 S- 0 0 27 195,-0.1 197,-0.5 1,-0.1 -1,-0.3 0.689 130.3 -92.1 -77.3 -15.0 14.3 177.5 -3.9 22 22 A G < + 0 0 0 -3,-1.1 -2,-0.2 1,-0.2 2,-0.1 0.570 65.3 166.0 112.5 17.1 14.6 173.8 -4.9 23 23 A L - 0 0 19 169,-0.2 -4,-1.9 173,-0.1 2,-0.5 -0.470 31.8-137.4 -67.1 125.2 11.0 172.8 -4.1 24 24 A R E -Ab 18 196A 58 171,-0.6 173,-3.8 -6,-0.2 2,-0.5 -0.874 18.7-166.8 -98.8 134.3 10.7 169.4 -5.7 25 25 A V E +Ab 17 197A 0 -8,-3.0 -8,-1.9 -2,-0.5 2,-0.3 -0.994 15.6 160.0-121.4 114.3 7.5 168.7 -7.5 26 26 A A + 0 0 0 171,-1.7 173,-0.4 -2,-0.5 2,-0.3 -0.922 4.1 162.2-127.3 166.1 6.6 165.2 -8.6 27 27 A S - 0 0 8 -2,-0.3 -12,-2.1 171,-0.2 2,-0.4 -0.907 27.0-146.7-177.6 138.1 3.3 163.7 -9.5 28 28 A E E -c 200 0A 28 171,-1.2 173,-2.4 -2,-0.3 2,-0.4 -0.976 26.5-145.3-112.8 135.4 1.9 160.6 -11.3 29 29 A Q E +c 201 0A 89 -2,-0.4 173,-0.3 -16,-0.4 175,-0.1 -0.846 38.0 149.3-104.1 143.7 -1.4 161.2 -13.1 30 30 A S - 0 0 46 171,-5.7 172,-0.3 -2,-0.4 -1,-0.1 0.334 54.6-123.8-146.2 -6.6 -4.3 158.9 -13.6 31 31 A S + 0 0 93 170,-1.3 171,-0.3 1,-0.2 -2,-0.1 0.796 63.2 142.7 62.1 31.3 -7.2 161.3 -13.9 32 32 A Q - 0 0 115 2,-0.1 170,-0.5 171,-0.1 -1,-0.2 -0.639 58.2-102.3-110.3 164.4 -9.0 159.5 -11.0 33 33 A P S S+ 0 0 59 0, 0.0 70,-4.5 0, 0.0 71,-0.3 0.698 91.5 46.8 -59.8 -48.0 -11.1 160.8 -8.1 34 34 A T E -D 102 0A 3 68,-0.3 168,-0.3 762,-0.1 68,-0.3 -0.708 65.0-163.3-101.0 153.2 -9.2 160.9 -4.8 35 35 A C E -D 101 0A 0 66,-4.3 66,-3.6 -2,-0.3 2,-0.3 -0.846 13.9-151.3-126.2 165.7 -5.7 162.4 -4.5 36 36 A T E -DE 100 200A 0 164,-1.0 164,-0.6 -2,-0.3 2,-0.4 -0.785 18.4-171.2-137.8 86.9 -2.9 162.1 -1.9 37 37 A V E -DE 99 199A 0 62,-1.2 62,-3.2 -2,-0.3 2,-0.4 -0.675 12.3-177.7 -82.8 141.1 -0.8 165.2 -1.9 38 38 A G E -DE 98 198A 0 160,-3.0 160,-3.9 -2,-0.4 2,-0.6 -0.949 32.5-150.9-147.6 145.2 2.3 165.1 0.2 39 39 A V E -DE 97 197A 7 58,-2.0 58,-2.0 -2,-0.4 2,-0.8 -0.877 19.3-164.9-103.5 113.1 5.2 167.0 1.5 40 40 A W - 0 0 1 156,-2.9 156,-0.4 -2,-0.6 56,-0.2 -0.661 8.0-172.2-102.5 80.8 8.2 164.6 2.1 41 41 A I - 0 0 0 -2,-0.8 54,-1.0 154,-0.2 154,-0.2 -0.392 10.5-153.9 -71.8 136.2 10.8 166.5 4.2 42 42 A D + 0 0 18 52,-0.2 2,-0.9 147,-0.2 -1,-0.1 0.285 58.5 103.0-109.5 27.6 14.0 164.7 4.8 43 43 A A + 0 0 1 146,-0.1 51,-0.2 1,-0.1 50,-0.1 -0.833 51.6 157.2-101.4 107.5 15.6 165.9 7.9 44 44 A G - 0 0 2 -2,-0.9 3,-0.3 49,-0.3 12,-0.2 0.487 55.5 -54.3 -97.0-132.5 14.9 163.1 10.4 45 45 A S S > S+ 0 0 3 1,-0.2 3,-1.0 46,-0.1 47,-0.2 0.527 118.2 71.9-101.7 -17.8 16.3 161.7 13.7 46 46 A R T 3 S+ 0 0 19 46,-1.8 -1,-0.2 1,-0.2 117,-0.2 0.448 95.3 51.7 -84.4 6.4 19.8 161.3 12.4 47 47 A Y T 3 S+ 0 0 35 -3,-0.3 2,-0.3 115,-0.1 -1,-0.2 0.165 86.9 106.7-108.3 -7.2 20.5 165.0 12.4 48 48 A E < - 0 0 4 -3,-1.0 2,-0.1 5,-0.1 5,-0.1 -0.640 66.2-137.2 -75.9 147.6 19.3 165.4 15.9 49 49 A S - 0 0 73 -2,-0.3 4,-0.3 1,-0.0 -2,-0.1 -0.361 41.2 -84.3 -85.6-172.8 22.0 166.0 18.5 50 50 A E S > S+ 0 0 167 2,-0.2 3,-0.5 -2,-0.1 4,-0.2 0.891 129.9 43.9 -62.5 -42.9 21.8 164.2 21.9 51 51 A K G > S+ 0 0 73 1,-0.2 3,-0.7 2,-0.1 2,-0.7 0.947 118.0 39.7 -62.6 -76.9 19.5 166.8 23.3 52 52 A N G >> S+ 0 0 21 1,-0.3 3,-4.0 2,-0.1 4,-0.5 0.403 77.3 130.4 -62.7 19.5 17.1 167.3 20.4 53 53 A N G <4 S+ 0 0 7 -2,-0.7 -1,-0.3 -3,-0.5 4,-0.2 0.817 86.4 26.6 -41.5 -38.5 17.3 163.5 19.8 54 54 A G G <> S+ 0 0 6 -3,-0.7 4,-1.7 116,-0.2 -1,-0.3 0.070 91.2 111.1-116.9 26.6 13.4 163.5 19.7 55 55 A A H X> S+ 0 0 0 -3,-4.0 4,-2.4 2,-0.2 3,-0.6 0.980 79.5 45.7 -59.7 -61.3 13.0 167.1 18.6 56 56 A G H >X S+ 0 0 1 -4,-0.5 4,-1.6 -12,-0.2 3,-1.1 0.958 110.2 54.4 -44.6 -65.5 11.7 166.2 15.1 57 57 A Y H 3> S+ 0 0 27 110,-0.3 4,-0.6 1,-0.3 -1,-0.2 0.749 108.6 50.8 -40.9 -35.3 9.3 163.6 16.6 58 58 A F H XX S+ 0 0 4 -4,-1.7 3,-1.1 -3,-0.6 4,-1.0 0.877 102.7 57.6 -68.7 -46.1 7.9 166.4 18.9 59 59 A V H XX S+ 0 0 4 -4,-2.4 3,-2.8 -3,-1.1 4,-2.1 0.979 99.1 63.2 -51.0 -48.7 7.4 168.8 16.0 60 60 A E H 3< S+ 0 0 2 -4,-1.6 4,-0.5 1,-0.3 -1,-0.3 0.709 98.7 52.5 -40.9 -41.7 5.2 166.0 14.5 61 61 A H H << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.677 115.4 42.0 -72.0 -24.5 2.7 166.2 17.4 62 62 A L H X< S+ 0 0 5 -3,-2.8 3,-2.4 -4,-1.0 4,-0.3 0.669 89.6 91.1 -89.5 -28.0 2.5 170.0 16.8 63 63 A A T 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.3 -2,-0.1 0.781 96.2 33.6 -38.1 -45.5 2.3 169.8 13.1 64 64 A F T 3 S+ 0 0 3 -4,-0.5 12,-0.4 1,-0.2 -1,-0.3 0.043 97.2 81.5-101.9 19.3 -1.5 169.6 13.0 65 65 A K S < S- 0 0 35 -3,-2.4 2,-0.2 1,-0.3 -1,-0.2 0.297 101.0 -27.1-109.9 11.6 -2.6 171.8 16.0 66 66 A G - 0 0 2 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.3 -0.767 40.6-157.0 152.5 154.9 -2.5 175.3 14.6 67 67 A T B > -H 70 0B 1 3,-0.7 3,-3.7 53,-0.3 53,-0.1 -0.923 46.3-104.5-149.4 144.7 -0.8 177.7 12.1 68 68 A K T 3 S+ 0 0 160 1,-0.3 -1,-0.0 -2,-0.3 52,-0.0 0.863 129.5 50.0 -48.3 -30.7 -0.8 181.5 12.7 69 69 A N T 3 S+ 0 0 107 1,-0.2 -1,-0.3 46,-0.1 46,-0.0 0.340 122.5 30.5 -78.5 -8.9 -3.5 181.4 10.0 70 70 A R B < >S-H 67 0B 54 -3,-3.7 -3,-0.7 4,-0.0 5,-0.6 -0.356 75.4-174.2-156.9 76.6 -5.4 178.7 11.8 71 71 A P T > 5 - 0 0 78 0, 0.0 3,-1.9 0, 0.0 -5,-0.1 -0.099 57.5 -6.0 -65.0 168.0 -5.3 178.6 15.6 72 72 A G T > 5S- 0 0 35 1,-0.2 3,-0.6 -7,-0.2 4,-0.2 -0.054 132.9 -7.7 48.1-137.7 -6.9 175.8 17.6 73 73 A N T 3>5S+ 0 0 73 1,-0.2 4,-3.0 2,-0.1 5,-0.3 0.313 100.8 107.9 -74.9 -2.8 -9.0 173.3 15.8 74 74 A A H <>5S+ 0 0 26 -3,-1.9 4,-2.3 1,-0.2 5,-0.3 0.941 76.4 50.4 -45.7 -65.2 -8.9 175.1 12.4 75 75 A L H X> S+ 0 0 26 -12,-0.4 4,-3.1 1,-0.3 -2,-0.2 0.941 113.6 51.4 -49.2 -55.2 -8.5 169.6 11.7 77 77 A K H 3X S+ 0 0 95 -4,-3.0 4,-1.5 1,-0.2 -1,-0.3 0.785 111.9 50.5 -55.1 -30.5 -12.0 171.1 11.1 78 78 A E H S+ 0 0 0 -4,-2.7 5,-2.4 -5,-0.3 4,-0.8 0.811 116.2 49.7 -61.7 -42.9 -9.4 168.8 6.8 80 80 A E H ><5S+ 0 0 1 -4,-3.1 3,-3.3 -5,-0.2 4,-0.2 0.998 102.7 55.4 -59.9 -64.1 -12.4 167.0 8.2 81 81 A S H 3<5S+ 0 0 55 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.606 111.1 48.4 -50.6 -16.0 -15.3 168.9 6.5 82 82 A M H 3<5S- 0 0 25 -4,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.741 114.8-120.2 -88.6 -35.9 -13.7 168.1 3.2 83 83 A G T <<5 + 0 0 1 -3,-3.3 2,-0.2 -4,-0.8 -3,-0.2 0.591 63.9 144.4 102.3 17.2 -13.3 164.5 4.2 84 84 A A < - 0 0 1 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.592 42.6-138.8 -88.4 153.1 -9.6 164.5 3.8 85 85 A H E -F 100 0A 62 15,-1.5 15,-2.5 -2,-0.2 2,-0.5 -0.878 11.7-156.1-111.0 141.4 -7.3 162.5 6.0 86 86 A L E -Fg 99 712A 3 625,-3.4 627,-2.6 -2,-0.4 2,-0.3 -0.968 12.5-176.8-125.9 117.7 -4.0 164.0 7.3 87 87 A N E -F 98 0A 47 11,-2.4 11,-1.9 -2,-0.5 2,-0.4 -0.883 13.6-164.6-119.5 146.4 -1.1 161.9 8.4 88 88 A A E +F 97 0A 1 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.982 12.9 175.5-121.3 128.5 2.4 162.5 9.9 89 89 A Y E -F 96 0A 37 7,-2.2 7,-1.8 -2,-0.4 2,-0.4 -0.966 8.5-165.5-131.3 140.3 5.1 159.9 9.9 90 90 A S E +F 95 0A 27 -2,-0.4 5,-0.3 5,-0.2 2,-0.1 -0.990 8.1 176.7-132.5 131.2 8.6 160.4 11.1 91 91 A T - 0 0 52 3,-1.3 -46,-0.1 -2,-0.4 -34,-0.1 -0.390 48.6 -94.0-111.9-164.6 11.7 158.1 10.5 92 92 A R S S+ 0 0 29 -48,-0.2 -46,-1.8 -47,-0.2 -48,-0.2 0.476 126.2 20.1 -89.8 -2.6 15.4 158.4 11.4 93 93 A E S S+ 0 0 8 -49,-0.2 -49,-0.3 1,-0.2 2,-0.3 0.357 126.5 44.4-140.3 -12.4 16.1 160.0 8.1 94 94 A H - 0 0 8 -51,-0.2 -3,-1.3 2,-0.0 -52,-0.2 -0.775 49.3-169.1-148.0 119.8 12.7 161.3 6.8 95 95 A T E - F 0 90A 0 -54,-1.0 -5,-0.2 -2,-0.3 2,-0.2 -0.542 23.1-175.1 -90.7 159.2 9.8 163.2 8.3 96 96 A A E - F 0 89A 1 -7,-1.8 -7,-2.2 -56,-0.2 2,-0.4 -0.781 18.5-173.2-161.8 121.8 6.6 163.2 6.1 97 97 A Y E +DF 39 88A 4 -58,-2.0 -58,-2.0 -2,-0.2 2,-0.3 -0.962 19.8 170.7-115.6 132.4 3.2 164.9 6.2 98 98 A Y E -DF 38 87A 38 -11,-1.9 -11,-2.4 -2,-0.4 2,-0.4 -0.943 23.3-142.1-142.2 157.8 0.5 164.0 3.6 99 99 A I E -DF 37 86A 2 -62,-3.2 -62,-1.2 -2,-0.3 2,-0.4 -0.956 4.0-156.7-121.6 132.5 -3.1 164.5 2.8 100 100 A K E +DF 36 85A 48 -15,-2.5 -15,-1.5 -2,-0.4 2,-0.3 -0.896 38.2 140.5-102.5 135.5 -5.6 162.1 1.2 101 101 A A E -D 35 0A 0 -66,-3.6 -66,-4.3 -2,-0.4 2,-0.2 -0.975 55.4 -70.8-164.6 176.3 -8.5 163.9 -0.5 102 102 A L E > -D 34 0A 28 -68,-0.3 3,-2.3 -2,-0.3 -68,-0.3 -0.548 50.5-117.8 -79.2 144.4 -10.9 164.2 -3.3 103 103 A S G > S+ 0 0 27 -70,-4.5 3,-1.0 1,-0.3 -69,-0.1 0.770 112.9 58.3 -66.0 -23.1 -9.2 165.3 -6.5 104 104 A K G 3 S+ 0 0 189 -71,-0.3 -1,-0.3 1,-0.2 -70,-0.1 0.437 93.3 72.6 -77.4 0.2 -11.1 168.5 -6.8 105 105 A D G <> + 0 0 30 -3,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.318 61.1 102.2-101.8 2.1 -9.8 169.5 -3.3 106 106 A L H <>>S+ 0 0 1 -3,-1.0 4,-1.1 2,-0.2 5,-0.6 0.930 71.1 66.7 -48.9 -58.8 -6.2 170.3 -4.3 107 107 A P H >5S+ 0 0 54 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.850 117.6 23.7 -18.6 -82.3 -6.9 174.0 -4.2 108 108 A K H >5S+ 0 0 112 2,-0.2 4,-1.7 1,-0.1 -2,-0.2 0.795 121.0 62.7 -70.0 -27.4 -7.4 173.9 -0.4 109 109 A A H >X5S+ 0 0 2 -4,-2.8 3,-2.2 1,-0.2 4,-1.9 0.968 105.1 40.1 -58.3 -78.0 -5.4 170.8 0.1 110 110 A V H 3X5S+ 0 0 2 -4,-1.1 4,-1.7 1,-0.3 -1,-0.2 0.648 114.4 56.1 -43.2 -30.4 -2.0 171.9 -1.1 111 111 A E H 3X> - 0 0 119 -2,-0.9 4,-2.4 1,-0.1 3,-0.7 -0.276 41.6-108.6 -88.3 160.1 2.1 177.9 22.6 124 124 A D H >> S+ 0 0 101 1,-0.3 4,-2.9 2,-0.2 3,-0.5 0.914 121.8 56.3 -42.6 -46.2 3.6 177.1 25.9 125 125 A S H 3> S+ 0 0 69 1,-0.3 4,-0.6 2,-0.2 -1,-0.3 0.879 108.2 44.6 -51.9 -48.9 0.3 175.3 26.6 126 126 A Q H <> S+ 0 0 51 -3,-0.7 4,-2.0 2,-0.2 -1,-0.3 0.777 112.4 52.6 -69.3 -33.1 0.6 173.0 23.6 127 127 A I H < S+ 0 0 8 -4,-2.3 3,-2.0 -5,-0.2 1803,-0.4 0.947 105.7 60.5 -74.5 -31.3 3.5 152.6 25.7 141 141 A N H >< S+ 0 0 30 -4,-3.1 3,-2.3 1,-0.3 7,-0.4 0.928 96.9 60.8 -62.8 -36.4 6.5 152.0 23.4 142 142 A D T 3< S+ 0 0 45 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.708 92.7 65.5 -59.3 -24.9 8.2 150.0 26.1 143 143 A T T < S+ 0 0 55 -3,-2.0 2,-0.6 -4,-0.5 -1,-0.3 0.164 88.8 85.2 -71.9 -18.1 5.3 147.5 26.0 144 144 A S <> - 0 0 24 -3,-2.3 4,-3.2 1,-0.1 5,-0.3 -0.896 55.5-174.2 -96.6 111.0 6.3 146.7 22.5 145 145 A M H > S+ 0 0 42 -2,-0.6 4,-1.1 1,-0.2 5,-0.2 0.756 86.3 54.2 -73.4 -22.9 9.0 144.1 22.2 146 146 A R H > S+ 0 0 117 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.938 115.5 39.9 -71.4 -50.4 9.3 144.5 18.4 147 147 A D H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.992 115.3 51.3 -57.4 -56.4 9.9 148.1 18.8 148 148 A V H X S+ 0 0 4 -4,-3.2 4,-1.5 -7,-0.4 -1,-0.2 0.794 113.5 46.7 -53.9 -38.1 12.1 147.8 21.8 149 149 A V H X S+ 0 0 0 -4,-1.1 4,-2.2 -5,-0.3 -1,-0.3 0.950 109.7 49.0 -77.0 -45.7 14.2 145.3 20.1 150 150 A F H X S+ 0 0 23 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.831 108.9 54.3 -60.4 -38.1 14.7 147.0 16.7 151 151 A N H >X S+ 0 0 18 -4,-2.2 4,-2.9 2,-0.2 3,-0.7 0.974 109.3 50.0 -49.3 -59.5 15.7 150.3 18.6 152 152 A Y H 3X S+ 0 0 3 -4,-1.5 4,-2.4 1,-0.3 5,-0.4 0.874 105.5 56.3 -46.3 -46.2 18.3 148.1 20.4 153 153 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.3 0.941 110.6 43.9 -59.8 -40.9 19.5 146.7 17.1 154 154 A H H < S+ 0 0 0 -4,-2.4 3,-1.0 -5,-0.2 83,-0.4 0.795 114.7 57.5 -82.3 -30.3 24.2 148.5 18.9 157 157 A A H 3< S+ 0 0 0 -4,-2.5 80,-2.1 -5,-0.4 -2,-0.2 0.923 125.8 23.6 -60.6 -41.9 24.5 148.3 15.2 158 158 A F T >< S- 0 0 0 -4,-3.1 3,-2.0 78,-0.2 6,-0.3 -0.314 85.4-179.9-120.6 47.8 25.6 152.0 15.4 159 159 A Q T < S+ 0 0 3 -3,-1.0 76,-0.1 1,-0.3 -3,-0.1 -0.102 71.5 13.2 -46.3 144.1 27.0 152.4 18.9 160 160 A G T 3 S+ 0 0 56 1,-0.2 -1,-0.3 -5,-0.2 75,-0.1 0.729 102.3 114.3 59.4 24.7 28.2 155.9 19.5 161 161 A T S X S- 0 0 11 -3,-2.0 3,-3.2 -6,-0.2 -1,-0.2 -0.983 74.6-122.0-125.7 153.3 26.6 157.5 16.5 162 162 A P G > S+ 0 0 74 0, 0.0 3,-1.5 0, 0.0 -114,-0.1 0.784 110.4 63.4 -49.6 -34.5 23.9 160.0 16.1 163 163 A L G 3 S+ 0 0 0 1,-0.3 -117,-0.1 -117,-0.2 -4,-0.1 0.621 88.8 69.5 -69.3 -14.6 21.9 157.5 14.0 164 164 A A G < S+ 0 0 18 -3,-3.2 -1,-0.3 -6,-0.3 -9,-0.1 0.420 77.7 104.8 -88.5 8.2 21.6 155.1 16.9 165 165 A Q S < S- 0 0 26 -3,-1.5 2,-0.7 -120,-0.2 3,-0.1 -0.420 81.8 -98.2 -85.3 164.4 19.2 157.3 18.9 166 166 A S > - 0 0 8 1326,-0.2 3,-2.6 1,-0.2 -1,-0.1 -0.735 18.8-142.2 -83.1 115.6 15.5 156.7 19.2 167 167 A V T 3 S+ 0 0 20 -2,-0.7 -110,-0.3 1,-0.3 -1,-0.2 0.891 106.2 59.9 -37.3 -54.5 13.4 158.7 16.8 168 168 A E T 3 S- 0 0 22 -111,-0.1 -1,-0.3 1,-0.1 -114,-0.1 0.816 116.0-124.9 -41.0 -42.3 10.9 159.0 19.7 169 169 A G < - 0 0 1 -3,-2.6 1323,-0.1 -116,-0.2 1324,-0.1 0.422 30.4 -62.9 94.5 126.2 13.7 160.7 21.6 170 170 A P > - 0 0 16 0, 0.0 4,-1.2 0, 0.0 3,-0.4 -0.040 56.5-112.7 -32.8 124.8 15.3 159.9 25.0 171 171 A S H >> S+ 0 0 25 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.817 107.3 43.0 -26.6 -82.2 12.8 160.2 27.8 172 172 A E H >> S+ 0 0 95 1,-0.3 4,-2.4 2,-0.2 3,-1.4 0.722 99.1 67.5 -55.1 -41.2 14.1 163.1 29.7 173 173 A N H >> S+ 0 0 18 -3,-0.4 4,-3.9 1,-0.3 3,-0.5 0.962 96.5 61.0 -37.6 -63.3 15.1 165.4 26.8 174 174 A V H << S+ 0 0 7 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.809 108.2 43.0 -30.5 -51.1 11.3 165.6 26.2 175 175 A R H << S+ 0 0 158 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.961 122.2 37.6 -60.2 -54.0 11.0 167.1 29.7 176 176 A K H << S+ 0 0 137 -4,-2.4 -2,-0.2 -3,-0.5 -1,-0.2 0.763 81.7 130.7 -65.1 -36.3 14.0 169.4 29.3 177 177 A L < - 0 0 5 -4,-3.9 2,-0.2 -5,-0.4 5,-0.0 -0.048 55.3-133.9 -39.8 117.3 13.4 170.3 25.7 178 178 A S >> - 0 0 40 1,-0.1 3,-1.6 3,-0.0 4,-0.5 -0.483 9.3-130.1 -71.0 134.7 13.6 174.1 25.4 179 179 A R H 3> S+ 0 0 174 1,-0.3 4,-0.7 -2,-0.2 3,-0.4 0.683 107.5 59.8 -54.7 -32.0 10.8 175.8 23.3 180 180 A A H 3> S+ 0 0 46 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.788 94.3 66.3 -59.0 -37.2 13.4 177.7 21.4 181 181 A D H <> S+ 0 0 32 -3,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.715 90.9 59.5 -66.8 -30.8 15.0 174.5 20.2 182 182 A L H X S+ 0 0 7 -4,-0.5 4,-3.2 -3,-0.4 -1,-0.2 0.952 106.1 50.8 -63.4 -46.9 12.0 173.4 18.1 183 183 A T H X S+ 0 0 76 -4,-0.7 4,-3.2 2,-0.2 5,-0.3 0.949 109.3 47.6 -48.9 -67.4 12.4 176.5 16.1 184 184 A E H X S+ 0 0 100 -4,-1.7 4,-3.2 1,-0.2 5,-0.3 0.924 113.1 51.7 -46.3 -48.8 16.2 176.0 15.4 185 185 A Y H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 5,-0.3 0.941 115.7 37.7 -49.9 -66.8 15.4 172.5 14.5 186 186 A L H >X S+ 0 0 27 -4,-3.2 4,-4.0 2,-0.2 3,-2.2 0.979 117.7 51.8 -50.2 -58.8 12.6 173.3 12.0 187 187 A S H 3X S+ 0 0 83 -4,-3.2 4,-0.6 1,-0.3 -2,-0.2 0.858 115.3 40.2 -46.0 -60.9 14.4 176.4 10.7 188 188 A R H 3< S+ 0 0 137 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.643 127.6 29.2 -60.8 -31.8 17.6 174.6 10.1 189 189 A H H << S+ 0 0 29 -3,-2.2 -2,-0.2 -4,-1.9 -1,-0.2 0.654 105.2 66.8-112.2 -14.6 16.2 171.4 8.6 190 190 A Y H < S+ 0 0 17 -4,-4.0 2,-0.9 -5,-0.3 5,-0.2 0.643 73.2 110.8 -84.0 7.7 12.9 172.3 7.0 191 191 A K >< - 0 0 68 -4,-0.6 3,-1.0 -5,-0.4 26,-0.1 -0.515 66.7-124.4 -80.4 95.3 14.6 174.4 4.3 192 192 A A T 3 S+ 0 0 4 -2,-0.9 -169,-0.2 1,-0.4 4,-0.1 -0.215 95.7 90.5 -54.3 160.8 14.4 172.6 0.9 193 193 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.4 0, 0.0 -171,-0.1 -0.928 109.7 58.3 -54.6 -19.8 16.2 171.6 -1.3 194 194 A R S < S+ 0 0 66 -3,-1.0 -2,-0.2 -5,-0.1 2,-0.1 0.907 95.3 69.2 -45.2 -62.9 15.5 168.9 1.3 195 195 A M - 0 0 20 -5,-0.2 -171,-0.6 -154,-0.2 2,-0.3 -0.420 62.9-162.9 -57.8 146.8 11.7 168.8 1.1 196 196 A V E -b 24 0A 0 -156,-0.4 -156,-2.9 -173,-0.2 2,-0.7 -0.986 10.6-150.1-126.3 134.2 9.8 167.4 -1.9 197 197 A L E +bE 25 39A 8 -173,-3.8 -171,-1.7 -2,-0.3 2,-0.3 -0.905 33.9 168.6-105.1 108.6 6.1 168.1 -2.6 198 198 A A E + E 0 38A 0 -160,-3.9 -160,-3.0 -2,-0.7 2,-0.3 -0.897 11.4 174.7-117.1 166.2 4.9 165.1 -4.4 199 199 A A E - E 0 37A 1 -173,-0.4 -171,-1.2 -2,-0.3 2,-0.3 -0.982 12.7-153.9-172.2 154.8 1.5 163.7 -5.4 200 200 A A E +cE 28 36A 2 -164,-0.6 -164,-1.0 -2,-0.3 2,-0.5 -0.988 48.6 34.0-133.6 151.2 -0.3 161.0 -7.3 201 201 A G E S+c 29 0A 7 -173,-2.4 -171,-5.7 -2,-0.3 -170,-1.3 -0.938 102.6 2.0 128.9-112.6 -3.6 160.4 -9.0 202 202 A G S S+ 0 0 18 -170,-0.5 -1,-0.1 -2,-0.5 -173,-0.1 0.497 93.6 109.0-100.3 -3.6 -5.9 162.7 -11.0 203 3 A L - 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0 0 48 -2,-0.8 2,-1.4 -103,-0.2 3,-0.4 -0.313 17.9-149.7 -58.9 100.5 3.2 178.3 -2.5 214 214 A K + 0 0 115 -2,-0.7 -1,-0.1 1,-0.2 3,-0.1 -0.601 51.3 130.8 -73.4 81.7 6.7 179.8 -3.2 215 215 A H + 0 0 115 -2,-1.4 2,-0.3 1,-0.4 -1,-0.2 0.696 64.9 7.0-115.7 -35.1 7.0 181.3 0.3 216 216 A F - 0 0 156 -3,-0.4 -1,-0.4 3,-0.0 2,-0.2 -0.994 65.0-171.9-155.3 149.4 10.3 180.4 1.8 217 217 A S - 0 0 57 -2,-0.3 2,-0.5 -3,-0.1 -195,-0.1 -0.713 42.4 -53.3-136.5 174.9 13.4 178.7 0.4 218 218 A G - 0 0 21 -197,-0.5 2,-1.0 -2,-0.2 -26,-0.1 -0.442 38.1-159.9 -61.6 115.3 16.7 177.2 1.2 219 219 A L + 0 0 152 -2,-0.5 2,-0.2 -27,-0.1 -1,-0.1 -0.307 54.4 118.1 -89.1 49.7 18.8 179.9 3.1 220 220 A S - 0 0 65 -2,-1.0 6,-0.0 1,-0.2 -2,-0.0 -0.543 65.2 -66.6-117.2 177.8 22.0 178.0 2.3 221 221 A G - 0 0 55 -2,-0.2 -1,-0.2 1,-0.1 -3,-0.0 -0.128 18.2-152.8 -62.2 158.5 25.3 178.2 0.5 222 222 A T S S+ 0 0 153 4,-0.0 2,-0.1 0, 0.0 -1,-0.1 0.549 78.8 46.3-104.1 -13.2 25.9 178.5 -3.3 223 223 A Y S > S- 0 0 185 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.455 102.6 -76.0-118.6-170.6 29.4 176.9 -3.1 224 224 A D T 3 S+ 0 0 97 1,-0.2 4,-0.4 2,-0.2 3,-0.3 0.611 103.8 88.2 -61.2 -18.1 31.4 173.9 -1.6 225 225 A E T 3 S+ 0 0 180 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.674 91.0 50.2 -64.4 -18.8 31.6 175.4 1.9 226 226 A D S < S+ 0 0 67 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.818 86.8 94.7 -75.3 -33.9 28.2 173.6 2.5 227 227 A A + 0 0 54 -4,-0.4 -2,-0.2 -3,-0.3 -1,-0.1 0.554 47.7 112.3 -38.0 -30.8 30.0 170.5 1.1 228 228 A V S S- 0 0 108 -4,-0.4 4,-0.1 -3,-0.2 -1,-0.0 -0.323 84.1-111.6 -44.2 102.3 30.8 169.3 4.6 229 229 A P - 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0 0 60 0, 0.0 4,-1.6 0, 0.0 3,-0.1 -0.254 21.1-108.2 -75.9 162.2 -21.0 153.1 -10.9 822 395 B P H > S+ 0 0 39 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.883 113.4 59.6 -56.3 -48.7 -19.6 155.5 -8.4 823 396 B S H > S+ 0 0 70 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.869 107.3 44.8 -48.8 -51.0 -21.4 158.6 -9.7 824 397 B T H > S+ 0 0 58 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 112.2 53.7 -65.3 -39.9 -24.8 157.1 -9.2 825 398 B V H X S+ 0 0 18 -4,-1.6 4,-2.0 1,-0.2 3,-0.3 0.988 107.8 50.4 -57.2 -48.8 -23.7 155.9 -5.8 826 399 B L H X S+ 0 0 41 -4,-3.2 4,-1.6 1,-0.3 -1,-0.2 0.843 107.5 54.8 -59.6 -35.1 -22.7 159.5 -5.0 827 400 B Q H X S+ 0 0 131 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.3 0.914 104.7 52.9 -65.3 -43.2 -26.1 160.7 -6.1 828 401 B Q H X S+ 0 0 102 -4,-2.2 4,-0.6 -3,-0.3 3,-0.3 0.918 107.1 49.9 -60.3 -47.1 -28.0 158.4 -3.8 829 402 B I H >< S+ 0 0 15 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.973 108.6 55.4 -58.9 -40.9 -26.2 159.5 -0.7 830 403 B D H 3< S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.828 93.8 68.5 -58.6 -35.4 -26.8 163.1 -1.6 831 404 B A H 3< S+ 0 0 84 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.709 72.5 117.0 -61.2 -20.7 -30.6 162.5 -1.9 832 405 B V << - 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