==== 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 OXIDOREDUCTASE 14-SEP-07 2RAA . COMPND 2 MOLECULE: PYRUVATE SYNTHASE SUBUNIT PORC; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA MSB8; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 178 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 11.2 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 . 0 0.0 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 . 7 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 58 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 0 2 0 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 . 0 1 0 0 0 1 0 0 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 . 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 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 5 A K 0 0 142 0, 0.0 56,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -36.3 29.4 28.3 63.9 2 6 A K + 0 0 60 54,-0.1 55,-1.9 56,-0.1 2,-0.4 0.607 360.0 44.2 -78.1 -15.5 28.9 26.1 67.1 3 7 A Y E S-A 56 0A 97 53,-0.3 2,-0.4 54,-0.1 53,-0.3 -0.991 75.2-135.2-133.0 136.8 25.4 24.8 66.1 4 8 A F E -A 55 0A 42 51,-3.4 51,-2.1 -2,-0.4 2,-0.4 -0.784 33.9-149.3 -88.5 134.4 24.0 23.6 62.7 5 9 A E E -A 54 0A 24 -2,-0.4 60,-2.2 49,-0.2 61,-1.3 -0.914 21.3-178.3-124.0 137.4 20.7 25.2 62.2 6 10 A I E -Ab 53 66A 0 47,-2.5 47,-2.2 -2,-0.4 2,-0.5 -0.974 7.7-162.9-131.2 133.0 17.4 24.2 60.5 7 11 A R E -Ab 52 67A 15 59,-2.5 61,-2.4 -2,-0.4 2,-0.3 -0.976 11.5-156.9-122.5 127.7 14.2 26.2 60.1 8 12 A W E -Ab 51 68A 0 43,-2.6 43,-1.4 -2,-0.5 2,-0.4 -0.821 5.7-163.3-106.8 146.4 11.0 24.4 59.1 9 13 A H E +Ab 50 69A 11 59,-2.9 61,-2.4 -2,-0.3 62,-0.5 -0.995 31.6 125.2-130.7 123.7 7.9 25.9 57.5 10 14 A G E -A 49 0A 0 39,-1.5 39,-3.2 -2,-0.4 2,-0.3 -0.887 53.5 -97.1-156.6-179.5 4.6 24.1 57.5 11 15 A R E > -A 48 0A 67 -2,-0.3 3,-2.7 37,-0.3 5,-0.3 -0.864 54.7 -79.1-109.8 146.6 1.0 24.6 58.5 12 16 A A T 3 S+ 0 0 22 35,-3.0 34,-0.8 -2,-0.3 -1,-0.1 -0.215 121.3 29.0 -43.4 115.3 -0.6 23.6 61.8 13 17 A G T 3 S+ 0 0 64 32,-0.1 -1,-0.3 33,-0.1 32,-0.0 0.074 92.2 93.8 116.4 -17.5 -1.3 19.8 61.3 14 18 A Q S < S- 0 0 45 -3,-2.7 115,-0.5 113,-0.1 -2,-0.1 0.512 94.9-114.1 -88.6 -6.2 1.5 18.9 58.9 15 19 A G > + 0 0 14 -4,-0.3 4,-2.4 113,-0.1 5,-0.2 0.672 68.6 137.7 89.8 20.3 3.9 17.8 61.6 16 20 A A H > S+ 0 0 3 -5,-0.3 4,-2.5 2,-0.2 5,-0.2 0.911 78.3 50.9 -62.1 -39.9 6.8 20.3 61.5 17 21 A K H > S+ 0 0 55 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.949 112.9 43.7 -66.8 -47.3 6.8 20.4 65.3 18 22 A S H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.891 114.7 49.2 -63.4 -38.5 7.0 16.6 65.8 19 23 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.916 111.9 49.4 -67.1 -44.6 9.6 16.1 63.0 20 24 A S H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 -2,-0.2 0.930 111.9 48.9 -54.4 -50.2 11.6 18.9 64.5 21 25 A Q H X S+ 0 0 77 -4,-2.9 4,-3.7 1,-0.2 -2,-0.2 0.939 110.5 50.9 -57.2 -47.3 11.3 17.2 68.0 22 26 A X H X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.839 109.1 49.1 -62.6 -38.0 12.3 13.8 66.6 23 27 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.978 113.7 47.1 -66.1 -51.8 15.3 15.1 64.9 24 28 A A H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.945 111.3 51.6 -52.8 -52.3 16.3 16.8 68.1 25 29 A E H X S+ 0 0 50 -4,-3.7 4,-1.8 1,-0.2 -1,-0.2 0.897 108.6 52.4 -54.7 -38.4 15.6 13.6 70.1 26 30 A A H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.898 110.7 45.4 -62.8 -45.8 17.8 11.7 67.7 27 31 A A H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 -1,-0.2 0.823 108.4 59.1 -68.6 -31.0 20.8 14.0 68.1 28 32 A L H ><5S+ 0 0 103 -4,-2.4 3,-1.8 -5,-0.2 -2,-0.2 0.932 104.2 49.2 -62.3 -47.0 20.2 14.0 71.9 29 33 A E H 3<5S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.780 105.8 59.2 -66.3 -23.6 20.7 10.2 72.0 30 34 A A T 3<5S- 0 0 64 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.493 123.1-106.4 -80.1 -5.0 23.8 10.7 70.0 31 35 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.692 73.1 141.7 88.9 20.9 25.3 12.9 72.7 32 36 A K < - 0 0 60 -5,-2.6 2,-0.4 -8,-0.1 -1,-0.3 -0.663 57.9-111.6 -94.9 151.3 24.8 16.2 70.9 33 37 A Y + 0 0 169 -2,-0.3 23,-3.0 23,-0.1 2,-0.3 -0.679 49.9 179.1 -73.4 129.0 23.7 19.5 72.3 34 38 A V E -C 55 0A 43 -2,-0.4 2,-0.3 21,-0.2 21,-0.2 -0.957 26.6-177.4-140.8 153.6 20.3 20.3 70.9 35 39 A Q E +C 54 0A 89 19,-2.4 19,-2.4 -2,-0.3 2,-0.3 -0.983 11.5 166.3-142.8 149.6 17.5 22.8 70.9 36 40 A A E +C 53 0A 21 -2,-0.3 17,-0.2 17,-0.2 -2,-0.0 -0.875 7.3 147.4-164.0 125.8 14.1 22.6 69.2 37 41 A F E -C 52 0A 51 15,-0.9 15,-1.5 -2,-0.3 2,-0.2 -0.969 33.1-121.2-152.7 165.4 10.9 24.6 69.6 38 42 A P E -C 51 0A 44 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.552 8.8-151.1-100.4 171.4 8.0 25.8 67.5 39 43 A E E +C 50 0A 70 11,-2.2 11,-1.6 -2,-0.2 2,-0.2 -0.863 23.8 174.6-141.9 108.2 6.6 29.3 66.8 40 44 A Y - 0 0 127 -2,-0.3 9,-0.1 9,-0.2 11,-0.0 -0.466 28.1-177.4-102.3 176.1 2.8 29.7 66.1 41 45 A G 0 0 77 7,-0.2 -1,-0.0 -2,-0.2 8,-0.0 -0.217 360.0 360.0-165.0 56.7 0.4 32.5 65.6 42 46 A A 0 0 77 5,-0.1 5,-0.1 4,-0.0 7,-0.0 -0.335 360.0 360.0-125.8 360.0 -2.8 30.5 65.2 43 ! 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 44 48 A R > 0 0 90 0, 0.0 3,-1.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 173.3 -6.6 28.1 63.2 45 49 A T T 3 + 0 0 131 1,-0.2 -32,-0.1 -34,-0.1 -34,-0.0 -0.809 360.0 33.4 -83.3 128.5 -5.7 24.6 62.1 46 50 A G T 3 S+ 0 0 29 -34,-0.8 -1,-0.2 -2,-0.5 -33,-0.1 0.344 85.4 143.5 98.2 -2.7 -3.8 25.1 58.9 47 51 A A < - 0 0 15 -3,-1.0 -35,-3.0 -36,-0.1 -1,-0.4 -0.501 59.8-103.7 -67.0 134.3 -2.3 28.3 60.1 48 52 A P E +A 11 0A 77 0, 0.0 -37,-0.3 0, 0.0 2,-0.3 -0.358 52.3 165.2 -59.4 139.4 1.3 28.8 58.8 49 53 A X E -A 10 0A 12 -39,-3.2 -39,-1.5 -9,-0.1 2,-0.3 -0.854 26.4-134.0-144.8 177.1 4.0 28.1 61.5 50 54 A R E -AC 9 39A 95 -11,-1.6 -11,-2.2 -2,-0.3 2,-0.3 -0.925 9.5-168.4-131.6 156.2 7.7 27.5 61.9 51 55 A A E -AC 8 38A 0 -43,-1.4 -43,-2.6 -2,-0.3 2,-0.3 -0.891 14.5-155.3-133.1 167.1 9.8 25.0 64.0 52 56 A F E -AC 7 37A 0 -15,-1.5 -15,-0.9 -2,-0.3 2,-0.4 -0.995 9.7-164.0-146.4 145.0 13.6 25.2 64.5 53 57 A N E -AC 6 36A 0 -47,-2.2 -47,-2.5 -2,-0.3 2,-0.4 -0.995 3.6-174.8-129.1 139.5 16.5 22.9 65.3 54 58 A R E -AC 5 35A 58 -19,-2.4 -19,-2.4 -2,-0.4 2,-0.4 -0.989 9.9-178.0-123.7 127.9 19.9 23.8 66.6 55 59 A I E -AC 4 34A 2 -51,-2.1 -51,-3.4 -2,-0.4 -21,-0.2 -0.994 27.6-122.3-130.1 120.5 22.2 20.8 66.8 56 60 A G E -A 3 0A 7 -23,-3.0 -53,-0.3 -2,-0.4 -54,-0.1 -0.370 18.9-166.8 -68.2 140.7 25.8 21.4 68.1 57 61 A D 0 0 67 -55,-1.9 -54,-0.1 -56,-0.1 -1,-0.1 -0.337 360.0 360.0-128.1 55.5 28.5 20.4 65.7 58 62 A E 0 0 232 -56,-0.1 -56,-0.1 -25,-0.0 -2,-0.1 -0.431 360.0 360.0 63.8 360.0 31.5 20.5 68.1 59 ! 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 60 69 A A 0 0 50 0, 0.0 2,-1.1 0, 0.0 -8,-0.0 0.000 360.0 360.0 360.0 98.4 14.3 32.4 66.6 61 70 A V + 0 0 3 1,-0.2 -8,-0.0 -55,-0.1 -7,-0.0 -0.596 360.0 162.3 -75.9 96.3 16.5 31.1 63.7 62 71 A E S S+ 0 0 139 -2,-1.1 -1,-0.2 1,-0.2 -55,-0.0 0.736 74.3 38.8 -88.2 -21.4 17.3 34.1 61.6 63 72 A N S S- 0 0 116 20,-0.1 -1,-0.2 -57,-0.0 -58,-0.2 -0.488 78.9-179.9-130.5 68.1 20.2 32.5 59.8 64 73 A P - 0 0 2 0, 0.0 20,-0.7 0, 0.0 -58,-0.2 -0.284 31.6-147.4 -75.2 149.5 19.5 28.8 59.0 65 74 A D S S+ 0 0 62 -60,-2.2 23,-1.7 1,-0.3 2,-0.3 0.726 91.8 21.5 -78.4 -23.9 21.8 26.4 57.3 66 75 A V E -bd 6 88A 2 -61,-1.3 -59,-2.5 21,-0.2 2,-0.4 -0.994 64.5-157.3-149.0 138.1 18.7 24.6 55.9 67 76 A V E -bd 7 89A 0 21,-2.4 23,-3.0 -2,-0.3 2,-0.5 -0.976 12.7-163.3-117.7 131.8 15.2 25.7 55.2 68 77 A V E -bd 8 90A 0 -61,-2.4 -59,-2.9 -2,-0.4 2,-0.6 -0.975 4.8-170.6-122.3 120.8 12.6 22.9 55.0 69 78 A V E +bd 9 91A 0 21,-2.9 23,-2.1 -2,-0.5 -59,-0.2 -0.924 7.4 179.6-118.8 106.2 9.2 23.7 53.5 70 79 A I S S+ 0 0 1 -61,-2.4 2,-0.4 -2,-0.6 -60,-0.2 0.475 75.1 51.3 -89.8 -1.5 6.8 20.8 54.0 71 80 A D S > S- 0 0 25 -62,-0.5 3,-3.0 1,-0.1 4,-0.2 -0.884 70.1-155.5-134.6 106.2 3.9 22.6 52.1 72 81 A E G > S+ 0 0 54 20,-0.8 3,-2.2 -2,-0.4 -1,-0.1 0.776 90.3 73.4 -52.0 -30.1 4.8 24.0 48.7 73 82 A T G 3 S+ 0 0 85 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.694 89.2 57.9 -55.0 -24.6 2.0 26.4 49.1 74 83 A L G < S+ 0 0 23 -3,-3.0 -1,-0.3 -65,-0.1 -2,-0.2 0.459 75.6 127.4 -88.0 -2.5 4.1 28.4 51.6 75 84 A L < + 0 0 11 -3,-2.2 29,-0.1 -4,-0.2 3,-0.0 -0.342 27.7 130.3 -62.5 133.9 7.0 29.0 49.2 76 85 A S S > S- 0 0 36 -2,-0.1 3,-1.0 24,-0.0 4,-0.3 -0.932 71.1 -97.2-174.3 160.4 7.8 32.8 48.9 77 86 A P G > S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 27,-0.1 0.780 120.6 61.8 -66.5 -24.1 11.0 34.9 49.1 78 87 A A G > S+ 0 0 55 1,-0.2 3,-1.3 2,-0.2 -3,-0.1 0.813 94.8 63.0 -64.4 -30.8 10.3 35.6 52.8 79 88 A I G < S+ 0 0 23 -3,-1.0 -1,-0.2 1,-0.3 25,-0.1 0.608 102.4 50.5 -71.9 -12.5 10.6 31.9 53.5 80 89 A V G X S+ 0 0 18 -3,-1.0 3,-1.9 -4,-0.3 -1,-0.3 0.268 77.0 136.8-112.6 9.8 14.2 32.0 52.4 81 90 A E T < S+ 0 0 133 -3,-1.3 3,-0.1 1,-0.3 -3,-0.1 -0.320 75.0 13.1 -60.1 132.0 15.3 34.9 54.6 82 91 A G T 3 S+ 0 0 36 1,-0.3 2,-0.7 -19,-0.1 -1,-0.3 0.331 90.4 136.0 83.4 -6.6 18.7 34.4 56.2 83 92 A L < - 0 0 14 -3,-1.9 -1,-0.3 -20,-0.1 -18,-0.1 -0.641 48.4-139.4 -80.4 116.0 19.5 31.3 54.0 84 93 A S > - 0 0 59 -20,-0.7 3,-0.5 -2,-0.7 -1,-0.1 -0.070 19.6-112.8 -61.7 171.5 23.1 31.5 52.8 85 94 A E T 3 S+ 0 0 118 1,-0.2 24,-0.6 23,-0.1 -1,-0.1 0.842 119.3 53.2 -78.7 -34.9 24.0 30.5 49.3 86 95 A D T 3 S+ 0 0 157 22,-0.1 -1,-0.2 2,-0.1 2,-0.1 0.374 99.4 93.9 -80.4 11.9 26.0 27.5 50.5 87 96 A G S < S- 0 0 5 -3,-0.5 22,-0.7 -23,-0.1 2,-0.4 -0.300 74.7-112.2 -94.2-179.9 22.8 26.4 52.4 88 97 A I E -de 66 109A 15 -23,-1.7 -21,-2.4 20,-0.1 2,-0.6 -0.927 10.6-159.0-122.9 138.1 19.9 24.1 51.4 89 98 A L E -de 67 110A 0 20,-2.1 22,-3.1 -2,-0.4 2,-0.4 -0.971 18.9-170.2-111.2 115.8 16.3 24.6 50.5 90 99 A L E -de 68 111A 0 -23,-3.0 -21,-2.9 -2,-0.6 2,-0.3 -0.934 8.3-176.1-111.1 131.0 14.5 21.3 51.0 91 100 A V E -de 69 112A 0 20,-2.1 22,-1.8 -2,-0.4 2,-0.9 -0.979 32.0-135.5-137.8 142.1 10.8 21.1 49.7 92 101 A N E + e 0 113A 12 -23,-2.1 -20,-0.8 -2,-0.3 2,-0.3 -0.846 61.4 126.7 -91.2 102.0 7.9 18.7 49.7 93 102 A T - 0 0 5 20,-1.3 -2,-0.1 -2,-0.9 20,-0.1 -0.984 63.2-145.9-160.9 149.2 6.8 19.1 46.1 94 103 A V S S+ 0 0 107 -2,-0.3 20,-0.1 20,-0.1 -1,-0.1 0.458 82.0 88.6 -92.0 -4.2 6.1 17.3 42.9 95 104 A K S S- 0 0 92 1,-0.1 2,-0.2 18,-0.1 -2,-0.1 -0.151 78.5-100.0 -86.7-177.2 7.4 20.3 41.0 96 105 A D > - 0 0 80 1,-0.0 4,-1.9 -2,-0.0 3,-0.5 -0.493 30.4 -97.3-107.9 173.5 11.0 21.1 39.8 97 106 A F H > S+ 0 0 57 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.869 120.2 56.6 -57.0 -41.8 14.0 23.2 40.9 98 107 A E H > S+ 0 0 149 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.874 106.3 49.7 -59.4 -42.2 13.1 25.9 38.4 99 108 A F H > S+ 0 0 53 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.925 112.8 46.7 -61.5 -45.8 9.6 26.3 39.9 100 109 A V H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 5,-0.4 0.879 110.7 53.2 -64.2 -39.8 11.0 26.5 43.4 101 110 A R H X S+ 0 0 71 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.864 109.4 49.0 -62.0 -39.5 13.6 29.0 42.3 102 111 A K H < S+ 0 0 101 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 112.4 47.1 -67.0 -47.3 10.9 31.2 40.7 103 112 A K H < S+ 0 0 103 -4,-2.3 -2,-0.2 1,-0.1 -1,-0.2 0.799 129.3 21.2 -65.9 -31.7 8.7 31.2 43.9 104 113 A T H < S- 0 0 8 -4,-1.8 -2,-0.2 -28,-0.2 -3,-0.2 0.778 87.6-131.2-108.4 -37.8 11.6 32.0 46.3 105 114 A G < + 0 0 54 -4,-2.4 2,-0.8 -5,-0.4 -4,-0.1 0.677 52.4 154.2 83.7 21.4 14.5 33.6 44.4 106 115 A F - 0 0 3 -6,-0.4 2,-0.4 -5,-0.2 -1,-0.3 -0.750 27.2-174.1 -89.3 111.5 16.9 31.1 46.0 107 116 A N + 0 0 97 -2,-0.8 2,-0.2 -3,-0.1 0, 0.0 -0.859 55.4 77.3 -92.0 139.8 20.0 30.4 44.0 108 117 A G S S- 0 0 7 -2,-0.4 -22,-0.1 -22,-0.1 -20,-0.1 -0.672 98.0 -34.2 133.4 166.1 21.7 27.7 46.0 109 118 A K E -e 88 0A 63 -22,-0.7 -20,-2.1 -24,-0.6 2,-0.5 -0.358 57.4-170.4 -62.7 127.3 21.1 24.0 46.4 110 119 A I E -e 89 0A 0 -22,-0.2 70,-2.0 -2,-0.1 2,-0.4 -0.992 0.6-169.9-118.6 123.4 17.4 23.2 46.2 111 120 A a E -eF 90 179A 0 -22,-3.1 -20,-2.1 -2,-0.5 2,-0.3 -0.919 5.5-175.2-114.3 140.4 16.3 19.6 47.1 112 121 A V E +eF 91 178A 17 66,-2.3 66,-2.5 -2,-0.4 2,-0.3 -0.965 9.1 169.3-135.8 150.4 12.8 18.3 46.4 113 122 A V E -e 92 0A 8 -22,-1.8 2,-1.7 -2,-0.3 -20,-1.3 -0.962 40.1-119.8-159.0 144.2 10.9 15.1 47.2 114 123 A D > + 0 0 46 -2,-0.3 4,-1.9 -22,-0.2 5,-0.1 -0.600 45.6 161.5 -88.3 79.8 7.2 14.1 46.9 115 124 A A H > + 0 0 0 -2,-1.7 4,-2.5 1,-0.2 5,-0.2 0.885 65.2 61.4 -74.0 -36.6 6.9 13.3 50.6 116 125 A T H > S+ 0 0 46 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.936 109.2 42.0 -52.8 -50.7 3.1 13.5 50.7 117 126 A D H > S+ 0 0 74 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 109.4 56.7 -68.3 -39.3 2.9 10.6 48.2 118 127 A I H X S+ 0 0 5 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.956 112.1 45.1 -52.3 -46.7 5.6 8.5 49.9 119 128 A A H X>S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 6,-1.2 0.883 108.5 54.2 -67.7 -39.4 3.5 8.8 53.1 120 129 A L H <5S+ 0 0 84 -4,-2.2 -1,-0.2 4,-0.3 4,-0.2 0.902 114.9 43.5 -62.3 -34.8 0.2 8.0 51.4 121 130 A Q H <5S+ 0 0 129 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.900 126.4 27.8 -72.6 -43.8 1.9 4.8 50.1 122 131 A E H <5S+ 0 0 42 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.922 136.8 19.1 -91.9 -49.4 3.7 3.8 53.2 123 132 A I T <5S- 0 0 23 -4,-1.9 -3,-0.2 2,-0.3 -2,-0.1 0.406 96.6-122.5-103.1 -1.1 1.8 5.0 56.2 124 133 A K S + 0 0 5 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.378 56.6 101.3 -89.0 5.7 4.8 14.5 54.8 129 138 A N H > S+ 0 0 11 -115,-0.5 4,-2.0 1,-0.2 5,-0.1 0.838 77.6 49.8 -67.1 -38.4 6.9 15.0 57.9 130 139 A T H > S+ 0 0 7 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.929 113.1 44.6 -72.5 -46.5 8.7 11.5 58.1 131 140 A P H > S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.883 111.6 55.4 -61.6 -32.9 9.8 11.4 54.5 132 141 A X H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.914 106.6 51.3 -65.1 -38.4 10.9 15.0 54.9 133 142 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.928 110.6 47.6 -58.8 -47.7 13.0 14.0 57.8 134 143 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.936 111.5 50.2 -60.9 -46.8 14.6 11.2 55.8 135 144 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.920 110.7 51.9 -50.7 -46.0 15.2 13.6 53.0 136 145 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 6,-0.4 0.888 108.9 47.6 -59.3 -47.1 16.8 16.0 55.5 137 146 A V H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.916 112.7 51.5 -62.4 -43.7 19.1 13.4 56.9 138 147 A R H < S+ 0 0 116 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.958 115.0 38.9 -58.7 -52.5 20.1 12.4 53.4 139 148 A V H < S+ 0 0 21 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.663 130.1 27.5 -79.9 -15.0 20.9 16.0 52.1 140 149 A T H < S- 0 0 36 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.579 81.6-144.5-113.5 -22.2 22.6 17.2 55.3 141 150 A G < + 0 0 55 -4,-2.2 -4,-0.1 -5,-0.4 -3,-0.1 0.713 46.3 150.3 60.7 22.2 24.0 14.1 57.0 142 151 A I S S- 0 0 34 -6,-0.4 -1,-0.1 -5,-0.1 -5,-0.1 0.784 70.1 -3.5 -64.2 -27.6 23.1 15.8 60.3 143 152 A V S S- 0 0 11 -6,-0.1 2,-0.2 0, 0.0 -3,-0.1 -0.946 89.1 -88.2-148.9 162.4 22.6 12.5 62.0 144 153 A P >> - 0 0 79 0, 0.0 3,-0.7 0, 0.0 4,-0.7 -0.525 33.1-124.9 -69.9 151.7 22.6 8.8 60.9 145 154 A L H >> S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.892 109.4 64.5 -64.3 -36.6 19.3 7.5 59.6 146 155 A E H 3> S+ 0 0 81 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.850 94.7 61.0 -54.6 -36.4 19.5 4.6 62.2 147 156 A A H <> S+ 0 0 19 -3,-0.7 4,-1.5 2,-0.2 -1,-0.3 0.853 107.3 43.3 -61.6 -35.7 19.2 7.3 65.0 148 157 A I H < S+ 0 0 87 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.929 110.3 47.1 -54.7 -48.4 10.8 2.5 67.3 154 163 A K H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 104.1 58.8 -69.7 -28.8 10.5 4.3 70.7 155 164 A X H 3< 0 0 88 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.660 360.0 360.0 -76.6 -12.2 7.5 6.5 69.8 156 165 A F << 0 0 70 -3,-0.9 -1,-0.0 -4,-0.7 4,-0.0 -0.894 360.0 360.0-112.3 360.0 5.3 3.5 69.0 157 ! 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 0.0 158 169 A F 0 0 162 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 151.6 1.7 -0.2 68.6 159 170 A P >> - 0 0 74 0, 0.0 4,-1.4 0, 0.0 3,-0.7 -0.399 360.0-114.8 -76.8 156.8 2.3 -3.2 66.4 160 171 A Q H 3> S+ 0 0 104 1,-0.3 4,-3.7 2,-0.2 5,-0.3 0.835 110.9 70.2 -60.9 -36.3 5.5 -3.6 64.4 161 172 A E H 3> S+ 0 0 137 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.906 102.6 42.1 -44.3 -53.6 3.6 -3.3 61.2 162 173 A V H <> S+ 0 0 47 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.871 114.4 52.2 -67.8 -36.8 2.9 0.4 61.8 163 174 A I H X S+ 0 0 8 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.949 110.7 47.4 -60.4 -49.1 6.5 0.9 63.1 164 175 A D H X S+ 0 0 50 -4,-3.7 4,-2.5 1,-0.2 -2,-0.2 0.876 108.0 55.7 -63.7 -37.0 7.9 -0.6 59.9 165 176 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.902 108.5 48.0 -61.7 -42.0 5.7 1.4 57.7 166 177 A N H X S+ 0 0 20 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.844 110.3 51.4 -68.7 -32.3 6.9 4.6 59.3 167 178 A K H X S+ 0 0 18 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.875 108.8 51.4 -73.1 -36.1 10.6 3.5 58.9 168 179 A R H X S+ 0 0 99 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.877 107.1 53.4 -63.6 -39.8 9.9 2.8 55.2 169 180 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.929 111.4 46.1 -61.5 -40.8 8.5 6.2 54.9 170 181 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.4 0.973 114.3 47.5 -65.5 -50.7 11.7 7.7 56.4 171 182 A R H X S+ 0 0 89 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.878 109.5 52.5 -56.7 -47.1 13.9 5.5 54.2 172 183 A R H X S+ 0 0 53 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.807 109.4 48.6 -64.5 -32.0 12.0 6.3 51.0 173 184 A G H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.4 -1,-0.2 0.875 112.6 50.9 -69.5 -36.7 12.4 10.1 51.6 174 185 A Y H < S+ 0 0 84 -4,-2.1 3,-0.3 -5,-0.2 -2,-0.2 0.979 117.5 38.5 -60.4 -52.9 16.1 9.4 52.3 175 186 A E H < S+ 0 0 104 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.843 118.9 44.8 -64.3 -42.0 16.4 7.5 49.0 176 187 A E H < S+ 0 0 67 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.563 75.3 114.8 -92.4 -9.7 14.2 9.6 46.7 177 188 A V < - 0 0 9 -4,-1.3 2,-0.4 -3,-0.3 -64,-0.2 -0.349 51.3-154.4 -60.9 139.6 15.1 13.2 47.4 178 189 A K E -F 112 0A 134 -66,-2.5 -66,-2.3 2,-0.0 2,-0.3 -0.960 5.2-144.2-121.5 143.3 16.7 14.9 44.4 179 190 A a E -F 111 0A 49 -2,-0.4 -68,-0.2 -68,-0.2 -70,-0.1 -0.837 20.8-141.1-118.3 146.8 19.1 17.8 44.3 180 191 A S 0 0 34 -70,-2.0 -69,-0.1 -2,-0.3 -1,-0.1 0.795 360.0 360.0 -57.3 -41.6 19.9 20.9 42.2 181 192 A E 0 0 141 -71,-0.1 -1,-0.1 0, 0.0 -2,-0.0 -0.923 360.0 360.0-135.3 360.0 23.7 20.4 42.7