==== 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 TRANSFERASE 27-MAR-07 2ELE . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.SHIMIZU,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE (R . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21713.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 57 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 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 0.2 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.8 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 6 0 1 0 4 3 0 5 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 2 2 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 . 5 2 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 4 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 1 A M 0 0 101 0, 0.0 106,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 68.4 56.0 96.4 56.7 2 2 A V E -ab 79 107A 22 76,-1.1 78,-3.4 104,-0.1 2,-0.5 -0.958 360.0-143.1-134.7 149.7 52.7 97.2 58.2 3 3 A L E -ab 80 108A 0 104,-2.9 106,-2.4 -2,-0.3 2,-0.5 -0.954 15.1-161.3-113.6 127.3 49.8 95.3 60.0 4 4 A Y E -ab 81 109A 34 76,-3.5 78,-3.4 -2,-0.5 2,-0.7 -0.931 8.5-158.0-112.2 124.5 46.2 96.3 59.4 5 5 A F E -ab 82 110A 0 104,-3.2 106,-3.2 -2,-0.5 2,-0.5 -0.898 24.6-176.0 -96.0 115.4 43.4 95.2 61.7 6 6 A I E -ab 83 111A 0 76,-2.4 78,-1.7 -2,-0.7 2,-0.2 -0.957 19.0-143.2-123.8 123.9 40.3 95.5 59.5 7 7 A G E -a 84 0A 0 104,-2.3 10,-0.5 -2,-0.5 80,-0.2 -0.553 3.6-161.6 -79.9 144.7 36.7 95.0 60.6 8 8 A L - 0 0 2 76,-2.4 7,-0.3 78,-0.4 3,-0.2 0.491 40.9-125.2-102.2 -8.9 34.3 93.3 58.2 9 9 A G B -E 86 0B 1 77,-1.3 77,-3.4 75,-0.3 -1,-0.3 -0.436 32.6 -51.9 101.2-171.5 31.1 94.4 59.8 10 10 A L S S- 0 0 1 75,-0.2 30,-0.4 5,-0.1 -1,-0.1 0.844 111.2 -3.0 -80.7 -40.8 27.9 92.9 61.2 11 11 A Y S S+ 0 0 54 1,-0.4 30,-2.1 199,-0.2 31,-0.4 0.765 114.5 11.8-125.1 -54.7 26.4 90.6 58.6 12 12 A D S > S- 0 0 7 29,-0.2 3,-2.1 198,-0.1 -1,-0.4 -0.784 79.8 -90.2-128.8 174.1 27.9 90.2 55.1 13 13 A E G > S+ 0 0 24 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.686 117.8 64.3 -58.6 -21.2 31.1 91.1 53.3 14 14 A R G 3 S+ 0 0 66 1,-0.2 271,-2.4 270,-0.1 272,-0.3 0.571 79.2 81.8 -81.8 -6.4 29.8 94.5 52.2 15 15 A D G < S+ 0 0 5 -3,-2.1 -1,-0.2 -7,-0.3 -2,-0.1 0.493 71.3 105.0 -74.5 -0.9 29.5 95.7 55.8 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.9 97,-0.1 269,-0.4 -0.494 81.7-110.7 -76.2 148.2 33.2 96.5 55.4 17 17 A T B > -F 283 0C 2 -10,-0.5 4,-2.3 95,-0.4 266,-0.3 -0.493 21.1-118.8 -78.5 155.1 34.0 100.2 55.0 18 18 A C H > S+ 0 0 19 264,-2.4 4,-2.6 262,-0.4 5,-0.2 0.849 116.0 58.0 -61.4 -33.4 35.3 101.3 51.7 19 19 A K H > S+ 0 0 1 261,-2.1 4,-1.8 263,-0.4 -1,-0.2 0.956 109.0 44.0 -60.0 -50.3 38.5 102.4 53.4 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.5 92,-0.2 -2,-0.2 0.865 112.5 53.0 -63.4 -37.4 39.0 98.9 54.7 21 21 A L H X S+ 0 0 11 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.943 109.7 46.3 -64.5 -49.1 38.2 97.3 51.3 22 22 A E H X S+ 0 0 84 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.846 115.7 46.9 -63.1 -34.5 40.7 99.4 49.3 23 23 A I H >< S+ 0 0 19 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 0.904 111.8 50.2 -73.3 -41.6 43.4 98.7 51.9 24 24 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.873 104.6 58.3 -63.3 -39.0 42.6 95.0 52.0 25 25 A K H 3< S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.774 109.9 45.4 -61.3 -27.3 42.7 94.8 48.2 26 26 A K T << S+ 0 0 146 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.3 0.099 86.6 109.2-107.2 21.6 46.3 96.1 48.3 27 27 A C < - 0 0 1 -3,-1.5 53,-0.2 1,-0.1 3,-0.1 -0.718 62.1-141.8 -95.2 149.6 47.8 94.0 51.1 28 28 A D S S+ 0 0 83 51,-2.0 2,-0.4 -2,-0.3 52,-0.2 0.943 87.3 23.4 -74.3 -48.5 50.3 91.3 50.3 29 29 A Y E -c 80 0A 108 50,-1.2 52,-2.3 24,-0.1 2,-0.5 -0.953 69.7-160.0-122.4 140.0 49.0 88.7 52.8 30 30 A V E +cd 81 55A 7 24,-0.5 26,-2.2 -2,-0.4 2,-0.2 -0.965 12.4 174.6-126.1 118.2 45.5 88.6 54.3 31 31 A F E +cd 82 56A 10 50,-3.6 52,-2.9 -2,-0.5 2,-0.3 -0.673 4.9 170.9-111.8 169.7 44.7 86.7 57.5 32 32 A A E -cd 83 57A 0 24,-1.4 26,-3.4 50,-0.3 2,-0.3 -0.968 21.1-144.3-172.5 158.7 41.4 86.6 59.5 33 33 A E E - d 0 58A 0 50,-1.9 26,-0.1 -2,-0.3 24,-0.0 -0.971 6.4-173.6-132.6 147.6 39.6 84.9 62.3 34 34 A F + 0 0 55 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.194 65.0 88.7-133.9 42.1 35.9 84.0 62.6 35 35 A Y S S+ 0 0 18 23,-0.1 135,-0.4 3,-0.1 3,-0.1 0.545 75.0 64.9-114.0 -12.7 35.7 82.8 66.2 36 36 A T S S- 0 0 14 1,-0.2 2,-0.3 133,-0.1 -2,-0.1 0.646 118.4 -13.0 -85.2 -14.8 34.9 86.1 68.0 37 37 A S - 0 0 4 496,-0.1 2,-0.5 49,-0.0 -1,-0.2 -0.975 68.9-101.4-169.4 176.2 31.5 86.5 66.2 38 38 A L - 0 0 36 -2,-0.3 2,-1.0 -28,-0.1 3,-0.1 -0.958 11.5-163.5-121.7 123.9 29.3 85.3 63.4 39 39 A M > - 0 0 13 -2,-0.5 3,-1.2 1,-0.1 -28,-0.2 -0.819 16.1-176.8-101.2 90.4 28.7 87.0 60.1 40 40 A A T 3 S+ 0 0 39 -2,-1.0 -1,-0.1 -30,-0.4 -28,-0.1 0.617 70.7 57.1 -66.1 -16.3 25.5 85.1 59.1 41 41 A G T 3 S+ 0 0 15 -30,-2.1 2,-0.2 -31,-0.1 -1,-0.2 0.316 104.0 45.1-102.8 11.8 25.1 86.7 55.7 42 42 A T < - 0 0 21 -3,-1.2 2,-0.3 -31,-0.4 -3,-0.1 -0.826 60.1-141.4-141.9-179.7 28.4 85.8 54.0 43 43 A T > - 0 0 77 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.910 35.5-105.7-139.3 165.5 31.0 83.1 53.3 44 44 A L H > S+ 0 0 65 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.907 120.4 55.5 -60.0 -41.2 34.8 83.0 53.2 45 45 A G H > S+ 0 0 39 1,-0.2 4,-3.4 2,-0.2 5,-0.2 0.923 106.1 49.8 -57.6 -46.5 34.5 82.7 49.4 46 46 A R H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 112.7 47.5 -59.8 -42.1 32.5 85.9 49.1 47 47 A I H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.953 114.6 45.8 -64.4 -49.3 35.0 87.8 51.3 48 48 A Q H X>S+ 0 0 52 -4,-3.2 4,-1.7 1,-0.2 5,-1.2 0.913 113.3 50.1 -59.1 -44.4 37.9 86.4 49.2 49 49 A K H <5S+ 0 0 185 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.841 110.5 51.4 -63.6 -33.9 36.1 87.2 46.0 50 50 A L H <5S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.853 119.3 32.8 -73.1 -36.8 35.4 90.8 47.2 51 51 A I H <5S- 0 0 5 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.551 102.7-127.8 -97.7 -7.6 39.0 91.6 48.2 52 52 A G T <5S+ 0 0 60 -4,-1.7 2,-0.3 -5,-0.2 -3,-0.2 0.871 72.1 100.9 65.1 39.1 40.6 89.5 45.4 53 53 A K S - 0 0 43 -2,-0.3 4,-2.2 -26,-0.1 5,-0.2 -0.414 33.5-101.7 -87.7 168.6 42.0 79.6 65.0 60 60 A R H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.899 126.2 49.8 -57.2 -40.2 41.8 81.1 68.5 61 61 A E H >>S+ 0 0 122 1,-0.2 4,-2.4 2,-0.2 5,-1.1 0.931 105.9 54.9 -65.1 -45.6 45.0 79.2 69.4 62 62 A D H >5S+ 0 0 38 3,-0.2 4,-0.8 2,-0.2 8,-0.3 0.903 118.6 36.1 -53.4 -43.4 46.8 80.4 66.3 63 63 A V H X5S+ 0 0 2 -4,-2.2 4,-1.7 3,-0.2 5,-0.2 0.987 120.7 40.7 -74.5 -65.2 46.0 84.0 67.4 64 64 A E H <5S+ 0 0 75 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.803 133.4 23.7 -57.5 -31.8 46.3 84.0 71.2 65 65 A L H <5S+ 0 0 108 -4,-2.4 -3,-0.2 -5,-0.4 -1,-0.2 0.775 136.0 24.7-105.1 -32.6 49.3 81.7 71.2 66 66 A N H >XS+ 0 0 0 -4,-1.7 4,-2.2 1,-0.3 5,-1.6 0.932 84.5 49.1 -54.3 -47.3 50.0 85.6 66.4 68 68 A E H 345S+ 0 0 76 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.567 115.7 44.1 -70.5 -8.3 53.7 86.7 66.5 69 69 A N H <45S+ 0 0 101 -3,-1.5 -1,-0.2 -7,-0.2 -2,-0.2 0.690 123.6 31.3-105.7 -28.1 54.8 83.6 64.8 70 70 A I H <5S+ 0 0 29 -4,-2.5 4,-0.3 -8,-0.3 -3,-0.2 0.869 133.6 17.5 -96.7 -46.9 52.2 83.3 62.0 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.4 3,-0.7 0.913 116.3 56.1 -95.5 -51.9 51.3 86.9 61.2 72 72 A L H 3>4 S+ 0 0 62 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.905 106.7 45.9 -49.8 -44.4 56.9 87.8 60.7 74 74 A L H X> S+ 0 0 54 -3,-0.7 3,-1.6 -4,-0.3 4,-1.6 0.826 104.2 62.4 -67.9 -32.3 55.3 88.6 57.3 75 75 A A H 3< S+ 0 0 0 -4,-1.2 -1,-0.2 -3,-0.4 32,-0.2 0.658 90.0 70.5 -68.4 -14.9 54.4 92.1 58.4 76 76 A K T << S+ 0 0 98 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.588 118.3 16.5 -78.3 -9.9 58.1 92.8 58.8 77 77 A E T <4 S+ 0 0 161 -3,-1.6 2,-0.2 -4,-0.2 -2,-0.2 0.387 128.9 37.4-138.4 -6.1 58.6 92.8 55.1 78 78 A N S < S- 0 0 40 -4,-1.6 -76,-1.1 -5,-0.1 2,-0.7 -0.789 83.6 -95.4-138.7-179.4 55.1 93.1 53.7 79 79 A D E -a 2 0A 54 -78,-0.2 -51,-2.0 -2,-0.2 -50,-1.2 -0.926 48.2-171.0-104.0 112.6 51.8 94.8 54.2 80 80 A V E -ac 3 29A 0 -78,-3.4 -76,-3.5 -2,-0.7 2,-0.4 -0.867 12.9-156.8-114.6 142.3 49.5 92.4 56.1 81 81 A A E -ac 4 30A 0 -52,-2.3 -50,-3.6 -2,-0.4 2,-0.5 -0.901 3.1-162.8-116.5 143.2 45.9 92.5 57.0 82 82 A F E -ac 5 31A 0 -78,-3.4 -76,-2.4 -2,-0.4 -50,-0.3 -0.965 17.5-158.6-124.4 108.8 44.1 90.8 59.8 83 83 A L E +ac 6 32A 0 -52,-2.9 -50,-1.9 -2,-0.5 -76,-0.2 -0.653 14.8 171.6 -92.6 146.8 40.3 90.6 59.3 84 84 A T E -a 7 0A 0 -78,-1.7 -76,-2.4 -2,-0.3 -75,-0.3 -0.966 37.5 -94.2-147.1 159.9 37.7 90.1 62.0 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.349 91.6 -12.2 -70.8 160.3 33.9 90.2 62.3 86 86 A G B S-E 9 0B 1 -77,-3.4 -77,-1.3 -79,-0.1 -78,-0.4 -0.134 129.2 -14.6 49.2-139.3 32.3 93.5 63.4 87 87 A D > - 0 0 0 446,-2.7 3,-1.5 -80,-0.2 25,-0.1 -0.864 68.4-133.5 -95.8 126.5 34.9 96.0 64.8 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.681 100.3 41.7 -53.2 -24.1 38.2 94.2 65.5 89 89 A L T 3 S+ 0 0 10 5,-0.1 2,-0.6 444,-0.1 3,-0.5 0.428 88.3 101.6-108.0 1.6 38.7 95.7 69.0 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 443,-0.3 26,-0.1 -0.783 102.6 -17.4 -94.6 117.8 35.2 95.5 70.4 91 91 A A S S+ 0 0 40 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.893 117.6 94.2 58.3 41.6 34.5 92.7 72.9 92 92 A T S S- 0 0 22 -3,-0.5 -1,-0.3 441,-0.1 3,-0.2 -0.820 80.6-123.6-142.8 177.9 37.6 90.8 71.8 93 93 A T S > S+ 0 0 84 -2,-0.3 3,-1.2 1,-0.1 4,-0.3 0.092 77.1 113.9-115.1 20.2 41.1 90.8 73.2 94 94 A H T > + 0 0 2 -6,-0.4 3,-1.3 1,-0.2 4,-0.5 0.704 57.3 77.0 -64.5 -21.1 42.6 91.8 69.9 95 95 A A T >> S+ 0 0 16 1,-0.3 3,-1.4 -3,-0.2 4,-0.6 0.860 89.0 58.4 -58.3 -34.4 43.7 95.2 71.2 96 96 A E H X> S+ 0 0 52 -3,-1.2 4,-1.4 1,-0.3 3,-0.5 0.729 90.9 70.6 -67.8 -22.0 46.6 93.4 73.0 97 97 A L H <> S+ 0 0 2 -3,-1.3 4,-1.9 -4,-0.3 -1,-0.3 0.748 90.1 61.5 -67.4 -21.0 47.8 92.1 69.6 98 98 A R H <> S+ 0 0 24 -3,-1.4 4,-2.1 -4,-0.5 -1,-0.2 0.842 100.3 53.3 -72.5 -32.9 48.8 95.7 68.9 99 99 A I H S+ 0 0 0 -4,-1.9 5,-3.4 1,-0.2 3,-0.3 0.922 109.6 50.3 -58.6 -43.5 53.1 94.2 66.9 102 102 A K H ><5S+ 0 0 99 -4,-2.1 3,-1.8 1,-0.2 -1,-0.2 0.915 108.4 51.1 -61.4 -44.9 54.9 97.0 68.7 103 103 A R H 3<5S+ 0 0 156 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.7 50.8 -65.6 -24.7 57.3 94.7 70.4 104 104 A A T 3<5S- 0 0 28 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.272 120.2-111.8 -93.7 9.4 58.1 93.1 67.1 105 105 A G T < 5S+ 0 0 48 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.780 71.7 140.7 66.4 28.0 58.8 96.5 65.6 106 106 A V < - 0 0 4 -5,-3.4 2,-0.2 -6,-0.2 -1,-0.2 -0.893 49.7-133.0-107.0 128.5 55.7 96.3 63.4 107 107 A E E -b 2 0A 114 -106,-0.9 -104,-2.9 -2,-0.5 2,-0.4 -0.573 26.2-161.5 -76.2 139.4 53.5 99.3 62.8 108 108 A S E -b 3 0A 14 -2,-0.2 2,-0.4 -106,-0.2 -104,-0.2 -0.961 10.4-169.6-127.9 146.1 49.8 98.6 63.1 109 109 A Y E -b 4 0A 50 -106,-2.4 -104,-3.2 -2,-0.4 2,-0.5 -0.979 13.8-140.5-132.7 145.6 46.6 100.4 62.0 110 110 A V E -b 5 0A 8 -2,-0.4 2,-0.7 -106,-0.2 -104,-0.2 -0.918 9.4-169.7-112.4 122.6 43.0 99.9 62.8 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.3 -2,-0.5 -94,-0.1 -0.942 23.5-143.9-109.3 110.4 40.2 100.2 60.3 112 112 A H - 0 0 9 -2,-0.7 -95,-0.4 -106,-0.2 -92,-0.2 -0.156 17.3-172.3 -70.0 166.9 36.9 100.2 62.1 113 113 A A - 0 0 0 -97,-0.1 268,-0.3 266,-0.1 -97,-0.1 -0.952 42.8 -64.1-152.0 163.3 33.7 98.6 60.9 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.302 57.6-159.3 -56.9 137.8 30.1 98.6 62.1 115 115 A S >> - 0 0 0 264,-0.3 4,-2.1 -29,-0.2 3,-1.0 -0.901 30.0-126.8-122.8 150.5 29.8 96.9 65.5 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-0.9 1,-0.3 -1,-0.1 0.809 107.9 68.8 -62.3 -27.9 26.9 95.3 67.4 117 117 A Y H 34 S+ 0 0 9 1,-0.2 -1,-0.3 2,-0.2 3,-0.0 0.848 111.9 28.4 -61.4 -34.9 27.9 97.6 70.3 118 118 A S H X4 S+ 0 0 0 -3,-1.0 3,-1.7 1,-0.1 -1,-0.2 0.694 107.9 72.8 -98.0 -21.0 26.6 100.7 68.3 119 119 A A H >< S+ 0 0 0 -4,-2.1 3,-2.5 1,-0.3 -2,-0.2 0.683 73.3 86.0 -66.0 -15.8 24.0 98.8 66.3 120 120 A V G ><> + 0 0 1 -4,-0.9 3,-2.2 1,-0.3 5,-0.6 0.708 69.8 81.3 -57.9 -16.9 21.9 98.5 69.5 121 121 A G G X 5S+ 0 0 1 -3,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.792 77.0 68.3 -59.3 -27.1 20.7 102.0 68.4 122 122 A I G < 5S+ 0 0 7 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.589 86.0 69.7 -70.3 -8.1 18.3 100.2 66.0 123 123 A T G < 5S- 0 0 0 -3,-2.2 -1,-0.3 2,-0.2 -2,-0.2 0.609 111.0-118.1 -83.1 -12.6 16.4 98.9 69.1 124 124 A G T < 5S+ 0 0 3 -3,-1.7 2,-0.5 1,-0.3 125,-0.2 0.372 73.3 130.5 91.8 -5.7 15.2 102.5 69.8 125 125 A L S - 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0 0 1 -3,-1.4 53,-0.2 -4,-0.5 3,-0.1 -0.497 64.8-144.2 -79.6 149.1 18.7 106.0 45.4 294 28 B D S S+ 0 0 81 51,-2.2 2,-0.4 1,-0.2 52,-0.2 0.852 87.5 26.0 -77.7 -36.7 16.7 108.6 43.6 295 29 B Y E -p 346 0H 105 50,-1.5 52,-2.3 24,-0.1 2,-0.4 -0.972 67.0-162.2-130.9 144.6 17.1 111.2 46.3 296 30 B V E +p 347 0H 7 24,-0.5 26,-2.4 -2,-0.4 2,-0.3 -0.969 9.2 179.1-132.8 119.0 19.9 111.7 48.9 297 31 B F E -pq 348 322H 6 50,-3.3 52,-3.0 -2,-0.4 2,-0.3 -0.749 4.2-177.3-111.3 161.9 19.6 113.8 52.1 298 32 B A E -pq 349 323H 0 24,-1.8 26,-2.9 -2,-0.3 2,-0.4 -0.985 14.2-151.0-155.7 154.8 22.2 114.3 54.8 299 33 B E E + q 0 324H 0 50,-1.7 26,-0.1 -2,-0.3 24,-0.0 -0.988 13.1 175.9-131.1 140.4 22.5 116.1 58.1 300 34 B F + 0 0 28 24,-0.5 25,-0.1 -2,-0.4 50,-0.1 -0.060 61.8 90.0-132.9 32.6 25.7 117.5 59.6 301 35 B Y S S+ 0 0 21 23,-0.2 135,-0.4 1,-0.1 3,-0.1 0.721 83.8 52.4 -99.7 -26.8 24.3 119.1 62.8 302 36 B T S S- 0 0 45 1,-0.3 2,-0.3 134,-0.1 -1,-0.1 0.738 133.4 -26.1 -78.9 -22.3 24.7 116.1 65.1 303 37 B S - 0 0 49 49,-0.0 2,-0.3 -4,-0.0 -1,-0.3 -0.956 65.3-119.7-175.6 170.8 28.3 115.8 64.1 304 38 B L - 0 0 10 -2,-0.3 2,-1.0 -3,-0.1 3,-0.1 -0.868 18.9-123.7-127.0 160.2 30.7 116.6 61.2 305 39 B M > - 0 0 12 -2,-0.3 3,-1.5 1,-0.2 -28,-0.1 -0.802 33.2-179.0-102.0 86.2 32.9 114.6 58.9 306 40 B A T 3 S+ 0 0 41 -2,-1.0 -1,-0.2 -30,-0.3 -28,-0.1 0.709 73.3 58.4 -61.9 -24.1 36.1 116.5 59.8 307 41 B G T 3 S+ 0 0 17 -30,-2.0 -28,-0.3 -3,-0.1 -1,-0.3 0.236 114.9 21.4 -93.3 16.6 38.3 114.5 57.4 308 42 B T S < S- 0 0 16 -3,-1.5 2,-0.3 -31,-0.2 -3,-0.1 -0.868 71.9-114.4-158.6-170.4 36.3 115.3 54.3 309 43 B T > - 0 0 71 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.882 30.6-110.2-135.4 167.7 33.9 117.7 52.6 310 44 B L H > S+ 0 0 65 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.904 119.8 56.2 -64.3 -38.3 30.3 117.7 51.3 311 45 B G H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 106.8 47.3 -61.1 -40.2 31.8 117.9 47.8 312 46 B R H > S+ 0 0 150 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 113.8 47.7 -71.1 -33.5 33.9 114.8 48.3 313 47 B I H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.929 112.6 48.9 -71.9 -43.7 31.0 112.9 49.7 314 48 B Q H X>S+ 0 0 60 -4,-3.1 4,-2.0 1,-0.2 5,-1.0 0.892 111.3 50.8 -61.3 -39.8 28.8 114.1 46.8 315 49 B K H <5S+ 0 0 170 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.895 109.3 50.5 -65.3 -40.8 31.5 113.1 44.3 316 50 B L H <5S+ 0 0 56 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.0 39.1 -65.7 -38.6 31.8 109.6 45.8 317 51 B I H <5S- 0 0 4 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.738 96.9-138.9 -85.0 -24.2 28.1 108.9 45.7 318 52 B G T <5 + 0 0 61 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.841 68.4 102.0 68.7 32.4 27.5 110.6 42.3 319 53 B K S - 0 0 44 -2,-0.4 4,-2.1 -26,-0.1 5,-0.2 -0.286 34.1 -96.8 -84.2 175.0 19.2 121.4 59.2 326 60 B R H > S+ 0 0 125 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.903 127.8 46.4 -58.3 -42.6 18.2 120.3 62.8 327 61 B E H >>S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-1.3 0.908 106.5 57.8 -67.7 -41.5 14.8 121.9 62.3 328 62 B D H >5S+ 0 0 34 3,-0.2 4,-0.6 2,-0.2 7,-0.2 0.912 117.4 35.0 -52.9 -44.9 14.3 120.3 58.9 329 63 B V H X5S+ 0 0 1 -4,-2.1 4,-1.3 3,-0.2 -2,-0.2 0.980 122.6 40.1 -74.6 -60.6 14.8 116.9 60.5 330 64 B E H <5S+ 0 0 70 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.816 131.5 23.7 -62.5 -34.9 13.2 117.3 63.9 331 65 B L H <5S+ 0 0 101 -4,-2.6 -3,-0.2 -5,-0.3 -1,-0.2 0.813 134.8 24.9-101.9 -35.9 10.2 119.3 62.8 332 66 B N H >XS+ 0 0 0 -4,-1.3 4,-2.0 1,-0.3 5,-1.6 0.908 82.7 52.1 -51.2 -43.8 11.1 115.2 58.3 334 68 B E H 345S+ 0 0 81 1,-0.2 -1,-0.3 3,-0.2 -2,-0.1 0.613 113.4 42.4 -71.2 -12.2 7.7 114.1 57.2 335 69 B N H <45S+ 0 0 108 -3,-1.8 -1,-0.2 -7,-0.2 -2,-0.2 0.566 125.1 32.0-106.5 -15.1 7.2 117.0 54.8 336 70 B I H <5S+ 0 0 25 -4,-1.7 4,-0.3 -3,-0.4 -3,-0.2 0.826 131.6 17.8-106.8 -49.8 10.7 117.0 53.3 337 71 B V T X5S+ 0 0 0 -4,-2.0 4,-1.3 -5,-0.4 3,-0.5 0.915 117.7 53.6 -92.6 -52.9 12.0 113.5 53.2 338 72 B L H >> S+ 0 0 68 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.935 108.6 43.7 -56.4 -44.3 6.9 112.4 50.7 340 74 B L H >> S+ 0 0 52 -3,-0.5 4,-0.8 -4,-0.3 3,-0.6 0.797 106.5 62.5 -68.3 -29.7 9.7 111.5 48.2 341 75 B A H 3< S+ 0 0 0 -4,-1.3 -1,-0.2 1,-0.2 32,-0.2 0.669 91.4 68.5 -70.5 -17.1 10.2 108.2 49.9 342 76 B K H << S+ 0 0 92 -4,-0.9 -1,-0.2 -3,-0.9 -2,-0.2 0.850 116.6 19.6 -70.5 -36.4 6.6 107.2 49.0 343 77 B E H << S+ 0 0 167 -3,-0.6 2,-0.3 -4,-0.5 -2,-0.2 0.295 129.0 34.0-117.2 7.1 7.3 107.0 45.2 344 78 B N S < S- 0 0 44 -4,-0.8 -76,-1.3 -76,-0.0 2,-0.6 -0.861 84.9 -92.6-147.8-180.0 11.1 106.6 45.2 345 79 B D E -n 268 0H 56 -2,-0.3 -51,-2.2 -78,-0.2 -50,-1.5 -0.924 47.6-170.3-101.9 120.2 14.1 105.2 47.0 346 80 B V E -np 269 295H 0 -78,-3.1 -76,-3.4 -2,-0.6 2,-0.4 -0.886 12.6-152.6-117.5 147.5 15.5 107.8 49.3 347 81 B A E -np 270 296H 0 -52,-2.3 -50,-3.3 -2,-0.4 2,-0.5 -0.935 3.0-165.1-118.4 139.4 18.7 107.9 51.4 348 82 B F E -np 271 297H 0 -78,-3.3 -76,-2.5 -2,-0.4 2,-0.4 -0.948 15.4-161.2-125.1 106.1 19.2 109.8 54.6 349 83 B L E +np 272 298H 0 -52,-3.0 -50,-1.7 -2,-0.5 -76,-0.2 -0.716 13.5 172.5 -92.5 137.7 22.9 110.0 55.5 350 84 B T E -n 273 0H 3 -78,-1.8 -76,-2.7 -2,-0.4 -75,-0.4 -0.983 38.5 -99.7-140.1 148.4 24.2 110.8 59.0 351 85 B P S S- 0 0 13 0, 0.0 2,-0.2 0, 0.0 -75,-0.2 -0.372 91.5 -0.1 -65.8 150.8 27.8 110.9 60.4 352 86 B G B S-R 275 0I 14 -77,-3.0 -77,-1.9 -79,-0.1 29,-0.2 -0.512 122.0 -17.7 77.7-138.2 28.6 107.7 62.4 353 87 B D S > S- 0 0 4 -2,-0.2 3,-1.3 -80,-0.2 4,-0.4 -0.893 76.3-108.5-108.6 134.2 26.1 104.9 62.8 354 88 B P T 3 S+ 0 0 2 0, 0.0 -233,-0.1 0, 0.0 25,-0.1 -0.257 99.8 23.7 -60.9 153.2 22.4 105.7 62.1 355 89 B L T 3 S+ 0 0 6 1,-0.1 -228,-0.3 2,-0.1 6,-0.2 0.543 90.3 105.3 68.9 9.1 20.1 105.8 65.1 356 90 B V < + 0 0 22 -3,-1.3 -229,-0.5 -230,-0.1 -228,-0.2 0.935 57.9 82.2 -80.7 -51.9 22.9 106.6 67.6 357 91 B A S >> S- 0 0 30 -4,-0.4 3,-2.0 1,-0.1 4,-0.5 -0.326 95.2-120.7 -52.9 124.8 21.9 110.3 67.9 358 92 B T T 34 S+ 0 0 66 1,-0.3 4,-0.3 2,-0.1 3,-0.3 0.718 104.5 47.8 -46.5 -32.6 19.1 110.0 70.5 359 93 B T T 34 S+ 0 0 61 1,-0.2 4,-0.4 2,-0.1 3,-0.3 0.605 93.0 78.4 -88.9 -7.7 16.3 111.6 68.4 360 94 B H T X> S+ 0 0 4 -3,-2.0 3,-1.3 1,-0.2 4,-0.5 0.831 78.9 65.6 -71.1 -32.9 16.9 109.6 65.2 361 95 B A H >X S+ 0 0 7 -4,-0.5 3,-1.8 -3,-0.3 4,-0.6 0.902 96.0 60.1 -55.1 -40.8 15.2 106.3 66.2 362 96 B E H >> S+ 0 0 54 -3,-0.3 4,-1.8 -4,-0.3 3,-0.7 0.764 89.4 71.9 -59.2 -26.8 11.8 108.2 66.3 363 97 B L H <> S+ 0 0 2 -3,-1.3 4,-2.0 -4,-0.4 -1,-0.3 0.803 91.2 58.0 -61.0 -28.1 12.2 109.1 62.7 364 98 B R H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 3,-0.6 0.936 108.9 49.3 -61.8 -46.4 8.3 106.6 58.4 368 102 B K H ><5S+ 0 0 101 -4,-2.3 3,-2.6 1,-0.2 -2,-0.2 0.958 107.4 54.2 -56.9 -52.6 5.9 103.9 59.5 369 103 B R H 3<5S+ 0 0 164 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.756 107.9 51.9 -53.8 -27.0 3.1 106.3 60.1 370 104 B A T <<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.326 118.5-109.7 -94.3 7.4 3.6 107.6 56.5 371 105 B G T < 5S+ 0 0 41 -3,-2.6 2,-0.5 1,-0.3 -3,-0.2 0.761 74.8 138.5 71.3 23.8 3.4 104.1 55.0 372 106 B V < - 0 0 6 -5,-2.7 -1,-0.3 -6,-0.2 2,-0.2 -0.889 49.2-137.7-106.5 129.4 7.1 104.2 54.2 373 107 B E E -o 268 0H 85 -106,-1.8 -104,-2.5 -2,-0.5 2,-0.4 -0.577 23.0-162.3 -79.2 146.1 9.3 101.2 54.7 374 108 B S E -o 269 0H 14 -2,-0.2 2,-0.4 -106,-0.2 -104,-0.2 -0.989 10.2-169.9-134.7 144.4 12.7 102.0 56.3 375 109 B Y E -o 270 0H 43 -106,-2.1 -104,-2.9 -2,-0.4 2,-0.5 -0.977 17.3-134.1-131.6 144.9 16.0 100.1 56.4 376 110 B V E -o 271 0H 6 -2,-0.4 2,-0.7 -164,-0.3 -104,-0.2 -0.876 11.1-167.1-106.4 126.8 19.1 100.8 58.4 377 111 B I E -o 272 0H 3 -106,-3.5 -104,-2.4 -2,-0.5 -94,-0.1 -0.920 22.7-146.9-112.1 103.6 22.6 100.6 57.0 378 112 B H + 0 0 7 -2,-0.7 -95,-0.3 -106,-0.2 -92,-0.2 -0.115 20.8 174.5 -68.6 163.5 25.1 100.7 59.8 379 113 B A - 0 0 0 -266,-0.1 -264,-0.3 -25,-0.1 -105,-0.1 -0.942 44.9 -59.7-158.1 166.7 28.6 102.2 59.8 380 114 B P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -105,-0.2 -0.214 50.1-163.6 -57.7 145.8 31.3 102.8 62.5 381 115 B S >> - 0 0 4 -268,-0.3 4,-3.2 -29,-0.2 3,-1.2 -0.927 32.8-120.7-129.3 151.8 30.5 104.9 65.5 382 116 B I H 3> S+ 0 0 27 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.846 111.2 71.2 -60.4 -29.8 32.7 106.5 68.1 383 117 B Y H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 46,-0.0 0.845 114.6 22.2 -53.9 -37.8 30.8 104.4 70.6 384 118 B S H X4 S+ 0 0 0 -3,-1.2 3,-2.1 2,-0.1 -2,-0.2 0.777 116.3 65.8 -99.2 -34.9 32.6 101.3 69.3 385 119 B A H >< S+ 0 0 0 -4,-3.2 3,-2.5 1,-0.3 -2,-0.2 0.760 82.8 76.8 -59.2 -26.9 35.6 103.0 67.8 386 120 B V G >< S+ 0 0 1 -4,-2.1 3,-2.3 1,-0.3 5,-0.5 0.639 71.7 86.8 -60.5 -10.0 36.7 104.1 71.3 387 121 B G G X S+ 0 0 2 -3,-2.1 3,-1.9 1,-0.3 -1,-0.3 0.751 71.2 73.8 -60.2 -21.5 37.8 100.5 71.5 388 122 B I G < S+ 0 0 6 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.635 80.4 71.8 -68.1 -11.5 41.1 101.7 69.9 389 123 B T G < S- 0 0 0 -3,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.641 111.6-118.7 -76.8 -14.0 41.9 103.3 73.3 390 124 B G S < S+ 0 0 5 -3,-1.9 2,-0.3 1,-0.3 125,-0.1 0.309 71.4 133.9 93.8 -10.5 42.5 99.8 74.6 391 125 B L - 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