==== 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 28-JUL-06 2DV7 . COMPND 2 MOLECULE: DIPHTHINE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR H.MIZUTANI,Y.MATSUURA,K.SARABOJI,S.M.MALATHY SONY,M.N.PONNUS . 531 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21757.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 374 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 9.2 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 . 37 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.0 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 7 0 0 0 5 1 1 4 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 5 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 1 3 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 0 146 0, 0.0 106,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 22.7 56.2 98.8 55.1 2 2 A V E -a 79 0A 7 76,-1.7 78,-3.0 73,-0.3 2,-0.4 -0.967 360.0-137.6-173.6 155.0 52.9 98.8 57.1 3 3 A L E -ab 80 108A 0 104,-2.4 106,-2.2 -2,-0.3 2,-0.5 -0.985 18.7-161.8-123.2 131.5 50.1 96.9 58.7 4 4 A Y E -ab 81 109A 35 76,-2.6 78,-2.5 -2,-0.4 2,-0.7 -0.948 10.3-154.6-115.9 130.8 46.4 97.9 58.4 5 5 A F E -ab 82 110A 0 104,-3.2 106,-3.2 -2,-0.5 2,-0.5 -0.929 26.2-174.4 -99.5 113.7 43.7 96.7 60.7 6 6 A I E -ab 83 111A 0 76,-2.6 78,-1.4 -2,-0.7 2,-0.2 -0.962 17.2-140.8-119.0 127.0 40.6 97.0 58.6 7 7 A G E -a 84 0A 0 104,-2.5 10,-0.4 -2,-0.5 80,-0.2 -0.575 5.4-161.4 -82.1 145.0 37.1 96.4 59.8 8 8 A L - 0 0 3 76,-2.9 7,-0.2 78,-0.5 3,-0.2 0.622 38.2-129.1 -99.7 -18.3 34.6 94.6 57.4 9 9 A G B -E 86 0B 1 77,-1.3 77,-3.3 75,-0.4 -1,-0.2 -0.401 30.5 -50.5 104.2-178.7 31.4 95.6 59.0 10 10 A L S S- 0 0 1 75,-0.2 30,-0.3 5,-0.2 -1,-0.1 0.865 110.2 -6.1 -69.5 -49.0 28.2 94.1 60.4 11 11 A Y S S+ 0 0 54 1,-0.3 30,-2.1 199,-0.2 31,-0.4 0.782 112.2 11.1-122.4 -56.4 26.6 91.8 57.7 12 12 A D S > S- 0 0 14 29,-0.2 3,-1.7 28,-0.1 -1,-0.3 -0.657 79.4 -86.6-125.1-177.0 28.1 91.5 54.3 13 13 A E G > S+ 0 0 33 1,-0.3 3,-0.9 -2,-0.2 271,-0.2 0.743 118.9 63.3 -61.9 -25.8 31.2 92.4 52.2 14 14 A R G 3 S+ 0 0 62 1,-0.2 271,-2.5 270,-0.1 270,-0.3 0.511 80.2 82.9 -78.5 -4.6 29.8 95.9 51.3 15 15 A D G < + 0 0 4 -3,-1.7 -1,-0.2 -7,-0.2 2,-0.2 0.398 69.0 103.2 -79.1 4.2 29.8 96.9 55.0 16 16 A I S < S- 0 0 1 -3,-0.9 268,-2.8 97,-0.1 269,-0.3 -0.594 81.6-111.3 -82.7 148.0 33.4 97.8 54.5 17 17 A T B > -F 283 0C 2 -10,-0.4 4,-2.4 95,-0.4 266,-0.3 -0.448 21.6-116.0 -77.6 157.7 34.1 101.5 54.2 18 18 A V H > S+ 0 0 9 264,-2.6 4,-3.1 262,-0.4 5,-0.3 0.880 119.6 55.5 -59.1 -36.9 35.3 102.9 50.9 19 19 A K H > S+ 0 0 16 261,-2.6 4,-2.4 263,-0.3 5,-0.2 0.954 108.0 47.5 -59.3 -50.2 38.5 103.8 52.7 20 20 A G H > S+ 0 0 0 260,-0.3 4,-2.6 92,-0.2 -2,-0.2 0.868 115.1 45.6 -60.5 -38.8 39.0 100.2 53.8 21 21 A L H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.978 111.3 49.6 -69.7 -55.4 38.3 98.9 50.3 22 22 A E H X S+ 0 0 67 -4,-3.1 4,-0.6 1,-0.2 -2,-0.2 0.893 118.0 42.8 -50.5 -41.2 40.5 101.3 48.4 23 23 A I H >< S+ 0 0 28 -4,-2.4 3,-1.0 -5,-0.3 4,-0.3 0.915 111.8 51.3 -73.6 -43.4 43.3 100.5 50.9 24 24 A A H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.856 102.5 62.0 -62.1 -34.9 42.8 96.7 51.0 25 25 A K H 3< S+ 0 0 81 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.772 106.1 46.8 -61.8 -26.1 42.9 96.5 47.2 26 26 A K T << S+ 0 0 154 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.370 86.2 108.1-100.2 4.3 46.4 97.9 47.2 27 27 A C < - 0 0 0 -3,-1.2 53,-0.2 -4,-0.3 3,-0.1 -0.414 64.2-138.5 -79.9 159.6 48.0 95.7 49.9 28 28 A D S S+ 0 0 82 51,-2.9 2,-0.3 1,-0.3 52,-0.2 0.804 87.7 22.2 -85.6 -32.5 50.5 93.0 49.1 29 29 A Y E -c 80 0A 111 50,-1.5 52,-1.9 24,-0.1 2,-0.4 -0.988 67.1-158.6-136.8 144.5 49.1 90.4 51.5 30 30 A V E +cd 81 55A 6 24,-0.5 26,-2.3 -2,-0.3 2,-0.3 -0.978 12.5 174.7-130.3 120.9 45.7 90.1 53.1 31 31 A F E +cd 82 56A 8 50,-2.9 52,-2.5 -2,-0.4 2,-0.3 -0.741 6.1 173.7-114.4 167.0 44.9 88.2 56.3 32 32 A A E -cd 83 57A 0 24,-1.5 26,-2.2 50,-0.3 2,-0.3 -0.976 20.7-146.0-167.8 158.6 41.7 88.0 58.2 33 33 A E E - d 0 58A 0 50,-1.8 26,-0.1 -2,-0.3 24,-0.0 -0.947 6.7-174.5-130.4 150.1 39.9 86.3 61.1 34 34 A F + 0 0 59 24,-0.5 5,-0.1 -2,-0.3 50,-0.1 -0.149 64.4 87.1-137.8 39.9 36.3 85.3 61.4 35 35 A Y S S+ 0 0 16 23,-0.1 135,-0.4 3,-0.1 136,-0.1 0.611 74.2 65.6-112.6 -19.6 36.0 84.1 64.9 36 36 A T S S- 0 0 15 1,-0.1 2,-0.3 133,-0.1 -2,-0.1 0.761 118.4 -6.7 -76.2 -23.5 35.3 87.3 66.9 37 37 A S S S- 0 0 3 496,-0.1 2,-0.5 49,-0.0 -1,-0.1 -0.945 72.5-104.0-158.6 175.8 31.9 87.8 65.2 38 38 A L - 0 0 32 -2,-0.3 2,-1.1 -28,-0.1 -3,-0.1 -0.943 12.1-162.8-121.2 121.2 29.6 86.4 62.5 39 39 A M > + 0 0 17 -2,-0.5 3,-0.9 1,-0.1 -28,-0.2 -0.791 14.2 178.3 -98.1 92.4 29.0 88.0 59.1 40 40 A A T 3 + 0 0 37 -2,-1.1 -28,-0.1 -30,-0.3 -1,-0.1 0.183 69.1 61.3 -81.4 17.1 25.8 86.2 58.1 41 41 A G T 3 S+ 0 0 20 -30,-2.1 -1,-0.2 -31,-0.1 2,-0.2 0.400 103.5 30.7-124.7 3.8 25.4 88.1 54.8 42 42 A T < - 0 0 21 -3,-0.9 2,-0.3 -31,-0.4 3,-0.1 -0.739 63.3-131.1-143.5-169.8 28.5 87.2 52.8 43 43 A T > - 0 0 71 -2,-0.2 4,-1.8 1,-0.1 3,-0.2 -0.960 34.4-105.0-146.9 158.0 31.1 84.5 52.1 44 44 A L H > S+ 0 0 67 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.919 119.0 57.3 -51.7 -45.3 34.9 84.5 52.0 45 45 A G H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.901 104.7 48.2 -53.0 -49.6 34.7 84.3 48.2 46 46 A R H > S+ 0 0 144 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.856 113.5 48.7 -62.4 -35.4 32.7 87.4 47.7 47 47 A I H X S+ 0 0 3 -4,-1.8 4,-3.0 2,-0.2 5,-0.4 0.961 112.3 47.0 -68.5 -51.1 35.0 89.3 50.0 48 48 A Q H X>S+ 0 0 56 -4,-3.2 4,-2.2 1,-0.2 5,-1.1 0.871 114.4 49.9 -55.8 -37.2 38.1 88.0 48.1 49 49 A K H <5S+ 0 0 179 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.904 111.8 47.0 -68.6 -42.5 36.2 88.9 44.9 50 50 A L H <5S+ 0 0 48 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.891 120.7 36.7 -66.9 -41.7 35.5 92.4 46.2 51 51 A I H <5S- 0 0 5 -4,-3.0 -2,-0.2 2,-0.2 -1,-0.2 0.767 100.5-136.4 -82.2 -28.3 39.0 93.1 47.4 52 52 A G T <5 + 0 0 55 -4,-2.2 2,-0.3 -5,-0.4 -3,-0.2 0.864 67.1 99.3 74.2 37.5 40.6 91.2 44.5 53 53 A K S - 0 0 40 -2,-0.3 4,-2.4 -26,-0.1 5,-0.2 -0.496 35.3-101.2 -92.3 166.8 42.4 80.9 63.7 60 60 A R H > S+ 0 0 104 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.911 126.1 49.1 -52.8 -42.5 42.1 82.3 67.1 61 61 A E H >>S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 5,-0.9 0.891 106.2 53.0 -66.2 -43.3 45.4 80.5 67.9 62 62 A D H >5S+ 0 0 43 3,-0.2 4,-1.8 2,-0.2 7,-0.2 0.954 119.2 38.3 -56.2 -47.8 47.3 81.7 64.9 63 63 A V H X5S+ 0 0 2 -4,-2.4 4,-1.6 3,-0.2 5,-0.2 0.998 120.3 41.3 -63.9 -69.7 46.4 85.2 65.9 64 64 A E H <5S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.2 -1,-0.2 0.729 131.8 24.7 -54.9 -26.9 46.6 85.1 69.7 65 65 A L H <5S+ 0 0 101 -4,-2.3 -3,-0.2 -5,-0.3 -1,-0.2 0.789 134.5 22.7-110.7 -36.5 49.8 83.0 69.6 66 66 A N H >XS+ 0 0 0 -4,-1.6 4,-2.2 1,-0.3 5,-1.7 0.926 84.0 48.7 -56.1 -44.4 50.5 86.9 65.0 68 68 A E H 345S+ 0 0 77 -5,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.536 114.9 46.3 -72.8 -6.7 54.1 88.2 65.1 69 69 A N H <45S+ 0 0 100 -3,-1.5 -2,-0.2 -7,-0.2 -1,-0.2 0.693 123.8 29.1-104.3 -28.4 55.2 85.0 63.3 70 70 A I H <5S+ 0 0 31 -4,-2.4 4,-0.2 -8,-0.2 -3,-0.2 0.858 134.0 17.9 -99.3 -48.2 52.6 84.9 60.6 71 71 A V T >X5S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.4 3,-1.0 0.912 117.2 55.2 -94.1 -52.6 51.5 88.5 59.8 72 72 A L H 3> S+ 0 0 51 -3,-1.0 4,-2.2 -4,-0.2 3,-1.0 0.812 101.3 67.7 -79.1 -32.1 55.6 90.4 56.0 75 75 A A H 3< S+ 0 0 1 -4,-1.3 -73,-0.3 1,-0.2 -1,-0.2 0.617 91.8 66.2 -63.7 -11.9 54.5 93.8 57.2 76 76 A K T 3< S+ 0 0 105 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.2 0.865 117.7 18.7 -78.6 -36.4 58.2 94.7 57.4 77 77 A E T <4 S+ 0 0 146 -3,-1.0 2,-0.3 -4,-0.4 -2,-0.2 0.505 129.0 37.8-110.8 -8.9 58.8 94.4 53.6 78 78 A N S < S- 0 0 40 -4,-2.2 -76,-1.7 -76,-0.1 2,-0.7 -0.850 84.3 -96.9-138.2 172.3 55.2 94.8 52.4 79 79 A D E -a 2 0A 50 -2,-0.3 -51,-2.9 -78,-0.2 -50,-1.5 -0.845 49.8-173.6 -92.2 113.6 51.8 96.5 52.9 80 80 A V E -ac 3 29A 0 -78,-3.0 -76,-2.6 -2,-0.7 2,-0.3 -0.872 12.5-160.5-115.6 145.8 49.8 94.0 54.9 81 81 A A E -ac 4 30A 0 -52,-1.9 -50,-2.9 -2,-0.4 2,-0.4 -0.910 5.4-162.0-122.9 149.9 46.1 94.1 55.9 82 82 A F E -ac 5 31A 0 -78,-2.5 -76,-2.6 -2,-0.3 -50,-0.3 -0.975 17.3-159.1-132.0 114.4 44.3 92.2 58.7 83 83 A L E +ac 6 32A 0 -52,-2.5 -50,-1.8 -2,-0.4 -76,-0.2 -0.669 13.5 173.4 -98.3 152.9 40.5 92.1 58.3 84 84 A T E -a 7 0A 0 -78,-1.4 -76,-2.9 -2,-0.3 -75,-0.4 -0.969 38.3 -94.0-149.5 159.0 37.9 91.4 60.9 85 85 A P S S- 0 0 0 0, 0.0 -75,-0.2 0, 0.0 28,-0.1 -0.358 93.0 -11.3 -70.7 162.4 34.1 91.5 61.1 86 86 A G B S-E 9 0B 1 -77,-3.3 -77,-1.3 -79,-0.1 -78,-0.5 -0.116 129.4 -13.5 48.4-139.6 32.6 94.8 62.4 87 87 A D > - 0 0 0 446,-2.6 3,-1.5 -80,-0.2 25,-0.1 -0.837 66.8-135.0 -95.2 129.0 35.2 97.2 63.9 88 88 A P T 3 S+ 0 0 0 0, 0.0 6,-0.4 0, 0.0 -1,-0.1 0.682 100.1 41.5 -56.6 -22.5 38.5 95.4 64.5 89 89 A L T 3 S+ 0 0 9 444,-0.1 2,-0.6 5,-0.1 3,-0.4 0.326 89.0 100.6-111.4 8.4 39.0 96.9 68.0 90 90 A V S < S- 0 0 0 -3,-1.5 -3,-0.1 443,-0.2 3,-0.1 -0.850 102.1 -14.0 -99.4 120.4 35.5 96.7 69.4 91 91 A A S S+ 0 0 42 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.863 117.1 95.1 57.9 39.4 34.9 93.7 71.8 92 92 A T S S- 0 0 21 -3,-0.4 -1,-0.3 441,-0.1 3,-0.2 -0.837 78.9-125.6-139.1 175.9 38.1 92.0 70.8 93 93 A T S > S+ 0 0 87 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.074 76.9 112.3-111.4 22.8 41.6 91.9 72.2 94 94 A H T >> + 0 0 1 -6,-0.4 3,-1.9 1,-0.2 4,-0.6 0.751 57.3 78.3 -64.8 -26.5 43.1 93.0 68.8 95 95 A A H >> S+ 0 0 17 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.881 87.8 57.9 -53.1 -37.2 44.2 96.3 70.2 96 96 A E H X> S+ 0 0 56 -3,-0.9 4,-1.4 1,-0.3 3,-0.6 0.725 91.1 71.5 -66.6 -20.0 47.2 94.6 71.9 97 97 A L H <> S+ 0 0 3 -3,-1.9 4,-2.5 -4,-0.3 -1,-0.3 0.792 88.7 61.7 -67.3 -25.5 48.3 93.4 68.5 98 98 A R H <>S+ 0 0 0 -4,-2.5 5,-3.0 2,-0.2 3,-0.6 0.948 112.3 44.9 -57.7 -49.5 53.4 95.6 65.7 102 102 A K H ><5S+ 0 0 103 -4,-2.7 3,-2.9 1,-0.2 -2,-0.2 0.969 110.6 52.4 -59.0 -54.9 55.2 98.4 67.5 103 103 A R H 3<5S+ 0 0 162 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.713 110.8 50.4 -56.3 -19.1 57.6 96.1 69.3 104 104 A A T <<5S- 0 0 34 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.397 119.9-108.9 -98.7 1.0 58.4 94.6 65.9 105 105 A G T < 5S+ 0 0 68 -3,-2.9 2,-0.5 -4,-0.3 -3,-0.2 0.749 74.2 135.4 79.0 24.5 59.1 97.9 64.3 106 106 A V < - 0 0 5 -5,-3.0 2,-0.3 -6,-0.2 -1,-0.2 -0.919 51.0-136.6-109.8 125.4 55.9 97.8 62.1 107 107 A E - 0 0 122 -2,-0.5 -104,-2.4 -106,-0.3 2,-0.4 -0.610 26.0-161.2 -77.1 137.5 53.7 100.9 61.8 108 108 A S E -b 3 0A 14 -2,-0.3 2,-0.3 -106,-0.2 -104,-0.2 -0.933 10.6-167.9-124.9 149.0 50.0 100.1 62.0 109 109 A Y E -b 4 0A 58 -106,-2.2 -104,-3.2 -2,-0.4 2,-0.5 -0.954 13.4-137.3-132.4 152.0 46.9 101.9 61.0 110 110 A V E -b 5 0A 8 -2,-0.3 2,-0.6 -106,-0.2 -104,-0.2 -0.937 9.8-169.1-117.8 127.7 43.2 101.4 61.8 111 111 A I E -b 6 0A 3 -106,-3.2 -104,-2.5 -2,-0.5 -94,-0.1 -0.958 22.8-144.3-114.4 113.3 40.3 101.6 59.4 112 112 A H - 0 0 7 -2,-0.6 -95,-0.4 -106,-0.2 -92,-0.2 -0.154 16.6-172.8 -72.3 168.6 37.0 101.5 61.3 113 113 A A - 0 0 0 266,-0.1 268,-0.2 -97,-0.1 266,-0.1 -0.968 43.5 -63.6-155.8 158.7 33.7 99.8 60.1 114 114 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -105,-0.1 -0.201 56.7-158.4 -50.7 135.4 30.1 99.7 61.4 115 115 A S >> - 0 0 0 264,-0.3 4,-3.1 -29,-0.2 3,-1.3 -0.907 27.9-129.8-121.5 147.0 30.0 98.1 64.8 116 116 A I H 3> S+ 0 0 0 -2,-0.3 4,-1.6 1,-0.3 5,-0.1 0.820 106.9 70.6 -61.5 -28.4 27.1 96.4 66.7 117 117 A Y H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.824 114.9 22.8 -59.4 -32.4 28.1 98.6 69.6 118 118 A S H X4 S+ 0 0 0 -3,-1.3 3,-2.4 2,-0.1 -2,-0.2 0.726 111.4 72.8-103.0 -30.1 26.8 101.6 67.7 119 119 A A H >< S+ 0 0 0 -4,-3.1 3,-2.7 1,-0.3 4,-0.2 0.781 77.3 79.8 -55.0 -28.3 24.4 99.8 65.4 120 120 A V G ><> + 0 0 0 -4,-1.6 3,-2.4 1,-0.3 5,-0.6 0.673 69.5 87.0 -55.2 -13.1 22.1 99.2 68.4 121 121 A G G X 5S+ 0 0 1 -3,-2.4 3,-1.5 1,-0.3 -1,-0.3 0.767 74.2 69.5 -57.8 -23.7 21.1 102.8 67.7 122 122 A I G < 5S+ 0 0 4 -3,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.690 82.4 71.8 -68.4 -19.1 18.5 101.2 65.3 123 123 A T G < 5S- 0 0 0 -3,-2.4 -1,-0.3 -4,-0.2 -2,-0.2 0.634 111.5-118.4 -71.1 -13.4 16.6 99.8 68.3 124 124 A G T < 5S+ 0 0 3 -3,-1.5 2,-0.3 1,-0.3 125,-0.2 0.403 72.6 132.7 90.6 -3.5 15.5 103.4 69.0 125 125 A L < - 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0 0 2 -9,-1.2 58,-0.6 -2,-0.5 2,-0.2 -0.124 23.7-142.4 -47.7 135.4 24.2 81.7 70.7 177 177 A T > - 0 0 31 1,-0.1 4,-2.4 56,-0.1 -10,-0.1 -0.499 22.2-113.8 -95.4 168.5 20.7 83.0 70.0 178 178 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.898 119.8 57.3 -67.5 -40.7 18.8 85.6 72.1 179 179 A N H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 108.9 44.9 -53.3 -52.6 16.4 82.8 73.0 180 180 A E H > S+ 0 0 74 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.921 112.2 51.9 -57.8 -45.8 19.4 80.8 74.4 181 181 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.848 108.7 51.1 -60.8 -35.4 20.7 83.9 76.2 182 182 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.908 107.8 52.3 -69.0 -40.8 17.3 84.5 77.8 183 183 A E H X S+ 0 0 85 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.954 110.1 48.7 -57.1 -52.1 17.2 80.9 79.1 184 184 A L H X S+ 0 0 10 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.860 110.2 51.4 -56.5 -40.1 20.6 81.4 80.7 185 185 A L H X S+ 0 0 0 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.862 107.3 52.3 -67.8 -37.1 19.6 84.7 82.3 186 186 A L H X S+ 0 0 36 -4,-2.2 4,-1.7 2,-0.2 3,-0.4 0.931 106.7 54.3 -64.3 -43.5 16.5 83.1 83.8 187 187 A R H X S+ 0 0 127 -4,-2.2 4,-1.6 1,-0.3 3,-0.3 0.915 107.3 49.9 -55.2 -46.1 18.6 80.4 85.3 188 188 A V H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.5 0.788 104.2 60.0 -64.9 -27.2 20.9 82.9 87.0 189 189 A E H X S+ 0 0 23 -4,-1.3 4,-2.6 -3,-0.4 -1,-0.2 0.896 101.9 52.8 -67.3 -38.8 17.7 84.6 88.3 190 190 A D H < S+ 0 0 104 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.936 112.6 46.2 -59.8 -45.6 16.9 81.4 90.1 191 191 A M H < S+ 0 0 136 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.957 130.8 17.5 -61.4 -58.4 20.4 81.4 91.7 192 192 A K H < S- 0 0 106 -4,-2.6 -3,-0.2 0, 0.0 -2,-0.2 0.735 79.4-160.3 -90.2 -25.3 20.6 85.1 92.8 193 193 A K < + 0 0 147 -4,-2.6 -4,-0.1 -5,-0.5 -3,-0.1 0.893 35.2 149.4 42.1 52.2 16.9 86.0 92.7 194 194 A G - 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