==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-JUL-11 3SR7 . COMPND 2 MOLECULE: ISOPENTENYL-DIPHOSPHATE DELTA-ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR Y.H.LIU,T.M.FU,X.LIU,X.D.SU . 1078 17 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 32 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 4 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 . 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 . 52 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 131 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 352 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.6 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 1 2 2 4 4 4 7 5 0 4 3 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 8 14 4 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 PARALLEL BRIDGES PER LADDER . 0 0 8 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 0 ANTIPARALLEL BRIDGES PER LADDER . 8 0 0 0 0 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 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 18 A P 0 0 176 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.3 16.5 64.7 24.0 2 19 A Y + 0 0 110 2,-0.0 2,-0.4 4,-0.0 0, 0.0 -0.468 360.0 177.5 -71.5 125.6 16.1 60.9 23.4 3 20 A N > - 0 0 9 -2,-0.3 3,-1.4 1,-0.1 4,-0.1 -0.992 24.5-146.0-127.0 126.3 16.5 58.7 26.4 4 21 A S G > S+ 0 0 0 -2,-0.4 3,-2.5 1,-0.3 266,-0.1 0.763 94.2 70.9 -66.6 -26.6 16.0 55.0 25.9 5 22 A F G > S+ 0 0 1 1,-0.3 3,-1.9 192,-0.2 -1,-0.3 0.855 89.2 67.1 -53.9 -31.7 14.5 54.4 29.4 6 23 A D G < S+ 0 0 80 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.562 90.2 63.2 -64.7 -8.8 11.5 56.3 28.0 7 24 A D G < S+ 0 0 22 -3,-2.5 260,-2.6 -4,-0.1 2,-0.4 0.238 91.2 82.5 -98.1 11.1 10.9 53.4 25.6 8 25 A I E < -A 266 0A 6 -3,-1.9 2,-0.4 258,-0.2 258,-0.2 -0.974 58.3-169.3-120.2 129.6 10.2 51.1 28.6 9 26 A E E -A 265 0A 19 256,-2.5 256,-2.5 -2,-0.4 2,-0.4 -0.969 13.7-144.7-114.1 129.3 6.8 50.9 30.3 10 27 A L E -A 264 0A 7 -2,-0.4 2,-0.8 254,-0.2 981,-0.4 -0.800 22.1-116.7 -94.2 136.0 6.5 49.0 33.6 11 28 A I - 0 0 32 252,-2.7 252,-0.2 -2,-0.4 979,-0.0 -0.620 31.7-135.7 -73.6 106.6 3.3 47.1 34.4 12 29 A H - 0 0 1 -2,-0.8 2,-0.5 946,-0.2 239,-0.2 -0.158 7.5-139.2 -46.2 147.2 1.6 48.6 37.4 13 30 A H - 0 0 20 237,-2.2 239,-0.2 1,-0.1 947,-0.1 -0.953 12.1-167.3-121.5 117.5 0.1 46.4 40.1 14 31 A S S S+ 0 0 0 -2,-0.5 906,-0.4 1,-0.2 -1,-0.1 0.857 74.3 55.0 -72.3 -41.9 -3.2 47.5 41.5 15 32 A L S S- 0 0 2 946,-0.1 -1,-0.2 904,-0.1 918,-0.0 -0.803 81.0-149.4-104.0 96.6 -3.6 45.3 44.6 16 33 A P - 0 0 1 0, 0.0 921,-0.3 0, 0.0 234,-0.1 -0.216 19.1-172.3 -68.0 147.7 -0.5 45.7 46.9 17 34 A D + 0 0 53 232,-0.2 2,-0.3 919,-0.1 916,-0.1 0.581 67.3 61.7-107.0 -19.7 0.8 43.0 49.1 18 35 A Y S S- 0 0 54 231,-0.2 2,-0.2 915,-0.1 234,-0.1 -0.822 75.0-122.8-120.1 148.3 3.4 45.1 51.0 19 36 A D > - 0 0 24 -2,-0.3 3,-1.2 914,-0.1 4,-0.4 -0.588 33.2-117.4 -76.1 147.9 3.5 48.1 53.3 20 37 A L G > S+ 0 0 22 911,-1.8 3,-0.9 1,-0.2 912,-0.1 0.826 110.5 55.5 -56.5 -35.6 5.6 51.0 52.1 21 38 A A G 3 S+ 0 0 94 910,-0.5 -1,-0.2 1,-0.2 911,-0.1 0.659 99.5 59.3 -79.3 -15.5 8.1 50.8 55.0 22 39 A E G < S+ 0 0 54 -3,-1.2 -1,-0.2 2,-0.1 2,-0.2 0.524 73.2 120.2 -87.9 -4.5 8.9 47.2 54.5 23 40 A I < - 0 0 2 -3,-0.9 2,-0.6 -4,-0.4 232,-0.2 -0.424 59.3-142.1 -61.0 122.0 10.3 47.8 51.0 24 41 A D + 0 0 61 230,-3.2 232,-0.4 -2,-0.2 -1,-0.1 -0.812 23.5 180.0 -96.3 118.6 13.9 46.7 51.0 25 42 A L + 0 0 1 -2,-0.6 -1,-0.1 10,-0.2 230,-0.1 0.412 42.2 122.1 -91.4 0.2 16.4 48.8 49.0 26 43 A S + 0 0 47 10,-0.1 230,-0.5 11,-0.1 9,-0.2 -0.278 34.3 172.0 -72.5 148.6 19.6 46.8 49.9 27 44 A T E -B 34 0B 18 7,-2.4 7,-2.3 9,-0.2 2,-0.3 -0.762 20.1-137.0-141.6-173.9 21.7 45.2 47.2 28 45 A H E +B 33 0B 80 5,-0.2 2,-0.3 -2,-0.2 5,-0.2 -0.975 28.4 143.0-153.4 135.7 25.0 43.3 46.7 29 46 A F E > +B 32 0B 3 3,-1.9 3,-1.5 -2,-0.3 128,-0.1 -0.932 62.9 22.3-168.1 157.1 27.9 43.5 44.1 30 47 A A T 3 S- 0 0 3 -2,-0.3 3,-0.1 1,-0.3 127,-0.1 0.884 131.2 -56.8 47.5 45.1 31.7 43.2 44.0 31 48 A G T 3 S+ 0 0 52 1,-0.2 2,-0.4 64,-0.0 -1,-0.3 0.650 114.5 109.1 66.8 20.6 31.6 41.2 47.3 32 49 A Q E < -B 29 0B 68 -3,-1.5 -3,-1.9 2,-0.0 2,-0.3 -0.989 61.0-138.8-134.0 136.7 29.8 43.9 49.3 33 50 A D E -B 28 0B 131 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.686 27.5-169.7 -79.5 141.4 26.4 44.4 50.8 34 51 A F E -B 27 0B 12 -7,-2.3 -7,-2.4 -2,-0.3 29,-0.1 -0.986 27.4-136.7-135.9 146.2 25.1 47.9 50.3 35 52 A D S S+ 0 0 112 -2,-0.3 -10,-0.2 27,-0.3 -1,-0.1 0.774 89.5 34.5 -70.2 -29.9 22.1 49.6 51.9 36 53 A F S S- 0 0 34 26,-0.2 -9,-0.2 -10,-0.1 28,-0.1 -0.901 71.5-132.5-132.4 154.1 21.0 51.3 48.6 37 54 A P S S+ 0 0 0 0, 0.0 178,-2.3 0, 0.0 2,-0.3 0.157 85.0 68.6 -94.7 12.7 21.1 50.3 44.9 38 55 A F E +c 215 0C 3 176,-0.2 26,-0.3 178,-0.0 2,-0.2 -0.994 56.9 174.0-133.8 148.6 22.5 53.6 43.6 39 56 A Y E -c 216 0C 4 176,-2.0 178,-2.5 -2,-0.3 2,-0.4 -0.813 27.7-104.0-142.9 175.2 25.9 55.2 44.0 40 57 A I E -cd 217 65C 0 24,-2.3 26,-2.6 -2,-0.2 2,-0.6 -0.905 16.5-158.4-117.7 132.9 28.0 58.2 42.8 41 58 A N E - d 0 66C 14 176,-2.9 26,-0.3 -2,-0.4 180,-0.1 -0.938 27.3-124.4-108.7 121.9 30.8 58.3 40.3 42 59 A A 0 0 19 24,-4.0 9,-0.0 -2,-0.6 180,-0.0 -0.154 360.0 360.0 -64.8 155.8 33.1 61.3 40.7 43 60 A M 0 0 98 4,-0.2 -1,-0.1 175,-0.1 5,-0.0 0.507 360.0 360.0 -68.4 360.0 34.1 63.9 38.1 44 ! 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 45 65 A Q 0 0 144 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -12.6 41.4 71.0 38.3 46 66 A K + 0 0 57 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.024 360.0 95.3 178.1 64.2 38.3 72.2 40.0 47 67 A G > + 0 0 27 2,-0.0 4,-2.3 0, 0.0 5,-0.2 -0.108 67.3 70.8 86.3 -99.7 37.0 69.7 39.5 48 68 A K H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.838 95.5 57.7 -57.1 -33.6 38.3 69.1 43.0 49 69 A E H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.932 107.1 46.3 -65.7 -45.8 35.6 71.5 44.2 50 70 A V H > S+ 0 0 27 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.945 111.2 51.5 -58.6 -51.3 32.8 69.5 42.7 51 71 A N H X S+ 0 0 38 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.798 103.1 59.7 -63.2 -30.3 34.1 66.2 44.0 52 72 A E H X S+ 0 0 62 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.2 0.968 109.6 43.5 -54.0 -54.3 34.3 67.7 47.5 53 73 A K H X S+ 0 0 89 -4,-1.6 4,-2.1 1,-0.2 3,-0.3 0.941 112.8 51.3 -58.9 -51.4 30.5 68.3 47.3 54 74 A L H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.894 109.6 50.1 -52.2 -45.6 29.8 64.9 45.8 55 75 A A H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.822 107.9 54.7 -65.3 -32.0 31.8 63.2 48.6 56 76 A Q H X S+ 0 0 95 -4,-1.7 4,-2.2 -3,-0.3 -2,-0.2 0.887 109.6 45.6 -71.3 -37.8 29.9 65.1 51.2 57 77 A V H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 6,-0.2 0.924 112.9 50.7 -71.0 -39.5 26.5 64.0 49.8 58 78 A A H X>S+ 0 0 1 -4,-2.3 5,-2.4 -5,-0.2 4,-1.1 0.953 112.4 46.4 -57.4 -52.3 27.7 60.4 49.6 59 79 A D H ><5S+ 0 0 87 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.951 118.2 41.5 -54.9 -55.2 28.9 60.4 53.2 60 80 A T H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.3 46.0 -61.6 -41.1 25.8 62.0 54.5 61 81 A C H 3<5S- 0 0 2 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.506 110.1-118.2 -85.6 -1.8 23.4 59.9 52.4 62 82 A G T <<5 + 0 0 29 -4,-1.1 -27,-0.3 -3,-0.7 2,-0.3 0.803 63.8 146.2 73.0 29.0 25.2 56.6 53.1 63 83 A L < - 0 0 3 -5,-2.4 7,-0.5 -6,-0.2 -1,-0.2 -0.699 55.6-105.1-102.4 150.0 26.1 56.0 49.5 64 84 A L - 0 0 5 -26,-0.3 -24,-2.3 -2,-0.3 2,-0.4 -0.467 38.6-158.9 -61.1 139.5 29.1 54.4 47.8 65 85 A F E -de 40 71C 12 5,-1.9 7,-1.8 -26,-0.2 2,-0.3 -0.992 1.8-145.0-131.0 127.9 31.4 57.0 46.3 66 86 A V E de 41 72C 0 -26,-2.6 -24,-4.0 -2,-0.4 7,-0.2 -0.988 360.0 360.0-142.2 129.4 34.0 56.5 43.5 67 87 A T 0 0 69 5,-0.5 -1,-0.3 -2,-0.3 6,-0.2 0.375 360.0 360.0-112.1 360.0 36.6 57.7 43.2 68 ! 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 69 111 A L 0 0 104 0, 0.0 2,-0.7 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 138.9 32.5 56.9 53.7 70 112 A L - 0 0 66 -7,-0.5 -5,-1.9 -12,-0.1 2,-0.4 -0.702 360.0-172.3 -68.4 111.4 31.9 53.9 51.6 71 113 A L E +e 65 0C 51 -2,-0.7 23,-3.5 -7,-0.2 2,-0.3 -0.931 25.3 167.8-125.1 139.4 34.9 54.3 49.2 72 114 A A E -e 66 0C 0 -7,-1.8 -5,-0.5 -2,-0.4 2,-0.3 -0.939 25.4-132.3-134.8 159.1 36.1 52.7 46.0 73 115 A T E -f 96 0C 12 22,-1.7 24,-3.1 -2,-0.3 2,-0.3 -0.885 9.5-149.1-118.0 146.0 38.9 53.9 43.6 74 116 A N E +f 97 0C 41 -2,-0.3 2,-0.3 22,-0.2 24,-0.2 -0.870 14.6 177.7-110.7 145.4 39.0 54.2 39.8 75 117 A I E -f 98 0C 24 22,-2.4 24,-1.9 -2,-0.3 2,-0.2 -0.989 32.3-112.7-143.7 139.0 42.0 53.9 37.5 76 118 A G E > -f 99 0C 8 -2,-0.3 3,-2.0 22,-0.2 24,-0.2 -0.464 24.5-127.5 -65.2 138.5 42.3 54.0 33.7 77 119 A L T 3 S+ 0 0 1 22,-2.7 44,-0.2 1,-0.3 -1,-0.1 0.616 103.7 75.3 -66.5 -10.7 43.2 50.7 32.1 78 120 A D T 3 S+ 0 0 67 21,-0.2 -1,-0.3 43,-0.1 22,-0.1 0.667 80.5 92.2 -71.8 -15.0 46.1 52.5 30.3 79 121 A K S < S- 0 0 107 -3,-2.0 2,-0.1 1,-0.1 -4,-0.0 -0.509 89.8-103.1 -77.5 147.9 47.9 52.5 33.6 80 122 A P >> - 0 0 58 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.393 32.4-111.7 -66.2 151.5 50.2 49.6 34.5 81 123 A Y H 3> S+ 0 0 75 1,-0.3 4,-2.7 2,-0.2 3,-0.2 0.858 114.3 63.6 -54.0 -42.2 48.8 47.0 37.0 82 124 A Q H 3> S+ 0 0 88 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.810 99.0 56.0 -53.4 -33.9 51.3 48.0 39.7 83 125 A A H <> S+ 0 0 31 -3,-1.5 4,-1.9 2,-0.2 -1,-0.3 0.946 108.6 46.0 -64.9 -47.1 49.6 51.4 39.7 84 126 A G H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.2 -2,-0.2 0.930 112.5 52.6 -57.4 -44.3 46.2 49.8 40.4 85 127 A L H X S+ 0 0 36 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 108.1 49.0 -60.5 -43.2 47.8 47.6 43.0 86 128 A Q H X S+ 0 0 121 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.825 107.3 56.4 -68.6 -30.8 49.4 50.6 44.9 87 129 A A H X S+ 0 0 21 -4,-1.9 4,-2.4 2,-0.2 5,-0.4 0.931 109.3 45.7 -62.3 -47.1 46.0 52.4 44.8 88 130 A V H X S+ 0 0 20 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 114.9 47.6 -60.5 -49.6 44.4 49.4 46.6 89 131 A R H < S+ 0 0 185 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 116.7 42.6 -58.6 -48.1 47.2 49.2 49.1 90 132 A D H < S+ 0 0 135 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 127.2 27.0 -69.7 -37.6 47.3 52.9 49.8 91 133 A L H < S- 0 0 92 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.695 84.1-143.0-102.9 -20.7 43.5 53.6 50.0 92 134 A Q < - 0 0 147 -4,-2.5 -21,-0.2 -5,-0.4 -4,-0.1 0.951 34.2-173.2 54.3 52.2 42.1 50.2 51.1 93 135 A P - 0 0 9 0, 0.0 -21,-0.3 0, 0.0 3,-0.1 -0.262 38.6-112.9 -74.1 165.9 39.0 50.7 48.8 94 136 A L S S- 0 0 39 -23,-3.5 2,-0.3 1,-0.2 -22,-0.2 0.873 95.2 -22.2 -62.6 -35.8 36.0 48.5 48.8 95 137 A F - 0 0 0 -24,-0.3 -22,-1.7 36,-0.1 2,-0.5 -0.976 66.5-106.8-163.9 165.8 37.1 47.6 45.2 96 138 A L E -fg 73 133C 0 36,-1.6 38,-2.4 -2,-0.3 2,-0.6 -0.905 25.6-156.1-104.4 130.0 39.1 48.8 42.3 97 139 A Q E -fg 74 134C 1 -24,-3.1 -22,-2.4 -2,-0.5 2,-0.5 -0.925 5.5-162.5-106.7 121.4 37.3 50.0 39.2 98 140 A V E -fg 75 135C 0 36,-3.7 38,-3.2 -2,-0.6 2,-0.3 -0.917 11.7-155.0-106.1 124.2 39.2 49.9 36.0 99 141 A H E -fg 76 136C 42 -24,-1.9 -22,-2.7 -2,-0.5 2,-0.4 -0.730 12.5-164.0-105.3 142.3 37.9 52.0 33.1 100 142 A I E + g 0 137C 0 36,-2.4 38,-1.3 -2,-0.3 458,-0.0 -0.989 10.6 172.9-118.9 137.1 38.1 51.8 29.3 101 143 A N > + 0 0 8 -2,-0.4 4,-2.3 36,-0.2 3,-0.3 -0.365 12.4 159.4-138.4 53.7 37.2 54.8 27.1 102 144 A L H > S+ 0 0 0 455,-0.4 4,-1.7 1,-0.3 3,-0.5 0.909 75.5 41.2 -51.3 -58.1 38.2 53.7 23.6 103 145 A M H > S+ 0 0 0 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.820 112.2 55.6 -63.5 -33.0 36.2 56.1 21.6 104 146 A Q H 4 S+ 0 0 90 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.890 109.0 47.6 -64.9 -37.8 36.9 59.0 23.9 105 147 A E H >< S+ 0 0 27 -4,-2.3 3,-0.7 -3,-0.5 -2,-0.2 0.791 110.6 53.1 -70.7 -29.2 40.6 58.4 23.4 106 148 A L H 3< S+ 0 0 20 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.859 106.1 51.3 -75.5 -35.2 40.1 58.2 19.7 107 149 A L T 3< S+ 0 0 78 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.269 99.9 85.4 -85.9 11.2 38.2 61.5 19.5 108 150 A M S < S- 0 0 71 -3,-0.7 -4,-0.0 1,-0.1 0, 0.0 -0.952 70.4-143.0-122.7 131.0 41.0 63.3 21.4 109 151 A P S S+ 0 0 137 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.941 107.8 30.9 -53.9 -58.3 44.3 64.8 20.1 110 152 A E S S+ 0 0 96 2,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.624 89.9 128.3 -76.6 -18.9 46.4 63.7 23.0 111 153 A G S S- 0 0 9 1,-0.2 2,-0.3 -7,-0.1 -3,-0.1 -0.171 76.2-103.2 -46.4 120.7 44.3 60.6 23.6 112 154 A E - 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0 0 54 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.266 44.6-101.6 -66.4 163.5 -10.0 75.7 -18.5 497 285 B V H > S+ 0 0 30 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.890 123.6 54.8 -55.1 -39.5 -11.3 72.5 -20.2 498 286 B H H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 108.7 47.9 -61.8 -44.3 -8.6 72.8 -22.9 499 287 B E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.885 112.6 48.5 -62.7 -41.6 -5.9 72.8 -20.2 500 288 B V H X S+ 0 0 0 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.947 107.9 53.8 -66.8 -45.7 -7.4 69.9 -18.4 501 289 B I H X S+ 0 0 27 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.929 111.8 47.5 -51.0 -45.2 -7.7 67.9 -21.6 502 290 B A H X S+ 0 0 56 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.915 111.5 49.1 -61.6 -47.2 -4.0 68.6 -22.1 503 291 B I H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.953 111.9 49.0 -57.6 -48.6 -3.2 67.6 -18.5 504 292 B V H X S+ 0 0 0 -4,-3.2 4,-1.3 2,-0.2 -1,-0.2 0.841 110.4 49.1 -63.3 -39.7 -5.1 64.3 -18.8 505 293 B N H X S+ 0 0 56 -4,-2.1 4,-1.1 -5,-0.3 -1,-0.2 0.898 109.8 52.9 -67.1 -40.6 -3.5 63.3 -22.1 506 294 B G H X S+ 0 0 30 -4,-2.3 4,-2.3 1,-0.2 3,-0.4 0.875 101.8 60.1 -57.0 -38.2 -0.1 64.0 -20.5 507 295 B W H X S+ 0 0 30 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.897 97.3 59.8 -59.2 -37.2 -1.2 61.7 -17.7 508 296 B K H X S+ 0 0 22 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.898 106.5 47.1 -53.0 -42.8 -1.5 59.0 -20.3 509 297 B E H X S+ 0 0 104 -4,-1.1 4,-2.8 -3,-0.4 -2,-0.2 0.939 107.9 54.0 -66.2 -49.4 2.2 59.5 -21.1 510 298 B D H X S+ 0 0 32 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.891 104.9 56.1 -50.6 -43.8 3.2 59.5 -17.4 511 299 B L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.937 110.6 43.4 -56.8 -47.0 1.4 56.1 -17.1 512 300 B R H X S+ 0 0 57 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.897 113.3 52.7 -62.5 -43.6 3.6 54.7 -19.9 513 301 B L H X S+ 0 0 17 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.904 111.6 45.5 -58.3 -45.6 6.7 56.3 -18.4 514 302 B I H X S+ 0 0 0 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.937 113.1 48.8 -68.5 -44.1 6.1 54.8 -15.1 515 303 B M H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 -1,-0.2 0.831 108.1 54.2 -67.0 -33.7 5.3 51.4 -16.4 516 304 B C H ><5S+ 0 0 1 -4,-2.4 3,-1.5 3,-0.2 -223,-0.3 0.934 108.4 51.4 -59.8 -43.7 8.4 51.5 -18.6 517 305 B A H 3<5S+ 0 0 0 -4,-2.1 -228,-1.9 1,-0.3 -2,-0.2 0.736 111.6 46.1 -65.3 -25.7 10.4 52.2 -15.4 518 306 B L T 3<5S- 0 0 11 -4,-1.2 -1,-0.3 -230,-0.2 -2,-0.2 0.318 114.4-120.0 -96.5 2.2 8.7 49.2 -13.7 519 307 B N T < 5 + 0 0 33 -3,-1.5 2,-0.4 -230,-0.2 -3,-0.2 0.884 65.1 140.7 57.5 44.6 9.4 47.1 -16.8 520 308 B C < - 0 0 7 -5,-2.8 -1,-0.2 -8,-0.1 -2,-0.1 -0.977 33.8-174.0-122.0 125.9 5.7 46.4 -17.4 521 309 B Q S S+ 0 0 51 -2,-0.4 -221,-3.4 -222,-0.1 2,-0.3 0.667 71.1 30.5 -95.4 -17.6 4.3 46.3 -21.0 522 310 B T S > S- 0 0 32 -223,-0.2 4,-0.6 -7,-0.1 -221,-0.1 -0.855 80.9-110.5-134.2 170.6 0.6 45.8 -20.1 523 311 B I T >4 S+ 0 0 13 -221,-0.5 3,-0.9 -223,-0.3 4,-0.3 0.882 117.9 54.8 -68.6 -40.4 -1.8 46.8 -17.3 524 312 B A G >4 S+ 0 0 79 1,-0.2 3,-1.8 2,-0.2 -1,-0.2 0.854 98.3 62.5 -58.9 -38.5 -2.1 43.1 -16.3 525 313 B E G >4 S+ 0 0 56 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.750 87.0 74.2 -62.9 -23.1 1.7 42.9 -15.8 526 314 B L G X< S+ 0 0 0 -3,-0.9 3,-1.8 -4,-0.6 -1,-0.3 0.737 80.1 71.8 -60.5 -23.1 1.5 45.5 -13.1 527 315 B R G < S+ 0 0 63 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.556 96.0 53.6 -74.6 -4.1 0.1 42.9 -10.8 528 316 B N G < S+ 0 0 126 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.277 79.9 118.5-108.9 5.1 3.5 41.4 -10.7 529 317 B V < - 0 0 14 -3,-1.8 2,-0.2 -53,-0.1 -10,-0.0 -0.548 67.0-121.0 -72.9 136.4 5.4 44.5 -9.7 530 318 B D + 0 0 91 -243,-0.2 -243,-2.8 -2,-0.2 2,-0.3 -0.576 38.4 176.5 -76.4 141.3 7.2 44.2 -6.3 531 319 B Y E -L 286 0E 67 -245,-0.2 2,-0.4 -2,-0.2 -245,-0.2 -0.954 20.7-141.9-145.5 162.9 6.1 46.7 -3.6 532 320 B L E -L 285 0E 20 -247,-2.5 -247,-2.5 -2,-0.3 2,-0.4 -0.971 11.2-140.7-129.8 143.5 6.8 47.6 -0.0 533 321 B L E -L 284 0E 13 -2,-0.4 2,-0.3 -249,-0.2 -249,-0.2 -0.873 21.0-178.8-105.4 137.3 4.5 48.8 2.8 534 322 B Y >> - 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0 0 76 -2,-0.8 -1,-0.2 1,-0.2 -2,-0.0 0.813 56.1 -13.9 -93.4 -34.7 28.1 62.0 3.5 743 255 C H S > S- 0 0 30 -575,-0.0 4,-1.9 40,-0.0 3,-0.3 -0.888 81.8 -73.1-160.7 177.4 31.1 60.9 5.5 744 256 C P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.740 123.0 60.8 -62.8 -25.4 33.3 58.0 6.6 745 257 C L H > S+ 0 0 19 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.941 105.9 46.9 -65.7 -44.2 30.6 56.6 8.8 746 258 C D H > S+ 0 0 0 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.922 111.2 53.8 -58.8 -40.0 28.4 56.1 5.8 747 259 C I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 109.5 46.2 -58.0 -49.2 31.4 54.6 4.0 748 260 C I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.922 110.4 53.7 -62.1 -44.9 31.9 52.1 6.8 749 261 C K H X S+ 0 0 14 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.930 107.6 50.0 -55.6 -46.2 28.2 51.2 6.9 750 262 C A H X>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 4,-0.7 0.909 112.4 48.0 -59.9 -42.2 28.1 50.5 3.1 751 263 C L H ><5S+ 0 0 1 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.891 109.1 52.9 -65.4 -42.4 31.2 48.2 3.5 752 264 C V H 3<5S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 104.6 55.5 -57.0 -45.3 29.6 46.4 6.5 753 265 C L H 3<5S- 0 0 3 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.713 133.2 -93.3 -63.4 -19.8 26.5 45.7 4.4 754 266 C G T <<5S+ 0 0 7 -4,-0.7 -19,-0.4 -3,-0.7 -3,-0.2 0.549 73.0 145.4 124.6 9.4 28.9 44.1 1.9 755 267 C A < - 0 0 0 -5,-2.1 -1,-0.3 1,-0.1 -19,-0.2 -0.500 43.6-143.3 -70.6 145.8 30.0 46.6 -0.7 756 268 C K S S- 0 0 54 -21,-2.9 2,-0.3 1,-0.2 -20,-0.2 0.798 80.1 -10.4 -74.5 -31.3 33.6 46.1 -2.0 757 269 C A E - f 0 736K 0 -22,-0.6 -20,-2.9 -187,-0.1 2,-0.4 -0.972 64.5-124.9-163.7 169.6 34.0 49.9 -2.2 758 270 C V E -yf 581 737K 0 -178,-2.0 -176,-1.9 -2,-0.3 2,-0.3 -0.983 14.0-148.3-136.9 125.2 32.1 53.2 -2.1 759 271 C G E -y 582 0K 1 -22,-3.4 -20,-0.4 -2,-0.4 2,-0.4 -0.712 11.6-155.3 -94.2 141.0 31.9 56.0 -4.7 760 272 C L E +y 583 0K 1 -178,-2.3 -176,-3.1 -2,-0.3 -18,-0.1 -0.923 29.6 141.7-116.4 143.9 31.5 59.6 -3.7 761 273 C S S >> S+ 0 0 50 -2,-0.4 4,-1.4 -20,-0.2 3,-0.7 0.403 70.3 39.2-134.7 -77.3 30.1 62.4 -5.8 762 274 C R H >> S+ 0 0 166 1,-0.3 4,-2.4 2,-0.2 3,-0.8 0.904 114.1 55.3 -51.1 -46.4 27.9 65.1 -4.2 763 275 C T H 3> S+ 0 0 17 -22,-0.4 4,-1.6 1,-0.3 -1,-0.3 0.856 105.3 54.2 -59.5 -35.0 30.0 65.2 -1.0 764 276 C M H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -1,-0.3 0.812 107.5 48.6 -70.4 -31.9 33.1 66.0 -3.1 765 277 C L H < S+ 0 0 18 -4,-1.6 3,-1.7 -5,-0.2 -2,-0.2 0.969 116.4 39.4 -70.2 -55.9 34.0 70.0 -0.3 768 280 C V H >< S+ 0 0 34 -4,-2.1 3,-0.6 1,-0.3 -2,-0.2 0.773 109.9 65.2 -63.0 -24.4 35.7 71.7 -3.3 769 281 C E T 3< S+ 0 0 81 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.372 119.2 20.8 -82.3 3.5 32.8 74.1 -3.4 770 282 C Q T < S+ 0 0 142 -3,-1.7 2,-0.3 1,-0.2 -1,-0.2 0.125 121.9 50.2-157.7 30.3 33.8 75.4 0.0 771 283 C H S < S- 0 0 80 -3,-0.6 2,-0.2 -4,-0.1 -1,-0.2 -0.970 80.3-102.2-159.8 156.8 37.5 74.5 0.4 772 284 C S >> - 0 0 72 -2,-0.3 4,-2.5 1,-0.1 3,-1.5 -0.577 38.4-111.0 -79.3 145.2 40.8 74.8 -1.5 773 285 C V H >> S+ 0 0 50 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.908 123.4 53.9 -33.9 -60.7 42.1 71.7 -3.2 774 286 C H H 3> S+ 0 0 163 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.824 111.5 44.9 -43.4 -42.0 44.9 71.7 -0.6 775 287 C E H <> S+ 0 0 31 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.822 112.4 50.3 -77.2 -33.6 42.3 71.8 2.1 776 288 C V H X S+ 0 0 16 -4,-1.5 4,-2.1 2,-0.2 3,-0.5 0.983 111.6 42.4 -58.6 -59.5 39.5 55.0 13.9 790 302 C I H 3X S+ 0 0 0 -4,-3.2 4,-1.1 1,-0.2 -2,-0.2 0.936 116.3 50.1 -52.6 -47.4 35.9 53.8 13.2 791 303 C M H 3<>S+ 0 0 0 -4,-2.7 5,-3.2 -5,-0.2 -1,-0.2 0.760 105.8 55.6 -62.8 -31.7 37.3 50.4 12.4 792 304 C C H X<5S+ 0 0 1 -4,-2.0 3,-1.4 -3,-0.5 -232,-0.3 0.941 108.4 48.1 -65.6 -48.0 39.4 50.2 15.5 793 305 C A H 3<5S+ 0 0 0 -4,-2.1 -237,-3.4 1,-0.3 -2,-0.2 0.654 112.2 48.8 -68.5 -20.2 36.3 50.8 17.6 794 306 C L T 3<5S- 0 0 11 -4,-1.1 -1,-0.3 -239,-0.2 -2,-0.2 0.397 113.4-125.1 -93.5 -0.8 34.5 48.1 15.6 795 307 C N T < 5 + 0 0 28 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.913 61.4 142.5 55.4 47.6 37.5 45.9 16.3 796 308 C C < - 0 0 8 -5,-3.2 -1,-0.2 -8,-0.2 -2,-0.1 -0.974 35.7-171.1-119.1 132.7 38.0 45.2 12.6 797 309 C Q S S+ 0 0 50 -2,-0.4 -230,-3.1 -231,-0.1 2,-0.3 0.565 70.9 26.9 -98.5 -10.5 41.5 44.9 11.1 798 310 C T B > S-w 567 0I 31 -232,-0.2 4,-0.6 1,-0.1 3,-0.4 -0.976 79.9-108.5-148.4 158.3 40.5 44.8 7.4 799 311 C I T >4 S+ 0 0 5 -232,-0.6 3,-2.0 -230,-0.4 4,-0.3 0.940 117.6 54.8 -50.3 -53.7 37.7 45.9 5.0 800 312 C A G >4 S+ 0 0 51 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.823 98.2 62.4 -49.4 -40.2 36.5 42.3 4.6 801 313 C E G >4 S+ 0 0 70 -3,-0.4 3,-1.9 1,-0.3 -1,-0.3 0.718 84.8 77.4 -64.4 -19.5 36.1 41.9 8.3 802 314 C L G X< S+ 0 0 0 -3,-2.0 3,-1.4 -4,-0.6 -1,-0.3 0.709 78.0 73.2 -63.9 -18.9 33.5 44.6 8.4 803 315 C R G < S+ 0 0 84 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.512 94.8 52.5 -75.9 -3.9 31.0 42.1 7.0 804 316 C N G < S+ 0 0 123 -3,-1.9 2,-0.4 -4,-0.1 -1,-0.3 0.299 79.4 118.4-112.2 6.2 30.9 40.5 10.4 805 317 C V < - 0 0 13 -3,-1.4 2,-0.2 -4,-0.1 -250,-0.1 -0.593 66.2-128.1 -67.7 128.1 30.1 43.7 12.3 806 318 C D + 0 0 91 -2,-0.4 -252,-2.5 -252,-0.2 2,-0.3 -0.552 35.7 173.4 -76.1 144.3 26.8 43.3 14.0 807 319 C Y E -V 553 0H 63 -254,-0.2 2,-0.4 -2,-0.2 -254,-0.2 -0.936 23.9-132.6-144.6 170.7 24.3 46.1 13.4 808 320 C L E -V 552 0H 29 -256,-2.5 -256,-2.3 -2,-0.3 2,-0.4 -0.951 13.0-141.3-126.4 146.5 20.7 47.1 14.0 809 321 C L E -V 551 0H 16 -2,-0.4 2,-0.3 -258,-0.2 -258,-0.2 -0.909 22.2-178.7-107.5 138.0 18.0 48.5 11.7 810 322 C Y >> - 0 0 32 -260,-2.2 4,-1.6 -2,-0.4 3,-0.7 -0.808 41.0 -13.6-126.6 165.3 15.5 51.1 12.7 811 323 C G H 3> S- 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 -0.001 120.6 -2.5 52.0-136.1 12.5 53.1 11.3 812 324 C R H 3> S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.857 132.9 54.3 -64.0 -38.3 11.8 53.0 7.5 813 325 C L H <> S+ 0 0 4 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.924 112.3 43.6 -61.6 -46.2 14.8 50.9 6.6 814 326 C R H >X S+ 0 0 5 -4,-1.6 4,-1.4 2,-0.2 3,-0.8 0.911 112.7 54.2 -63.2 -43.9 13.8 48.2 9.1 815 327 C E H >< S+ 0 0 38 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.947 107.2 49.7 -54.3 -50.4 10.1 48.5 7.9 816 328 C G H 3< S+ 0 0 5 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.671 113.3 48.0 -63.9 -18.3 11.1 48.0 4.3 817 329 C Q H << S+ 0 0 60 -3,-0.8 2,-0.5 -4,-0.7 -1,-0.3 0.619 107.9 55.8 -97.8 -16.7 13.1 44.9 5.4 818 330 C R << 0 0 61 -4,-1.4 -1,-0.2 -3,-0.8 -4,-0.0 -0.729 360.0 360.0-117.2 82.2 10.4 43.4 7.6 819 331 C Q 0 0 93 -2,-0.5 -3,-0.1 -3,-0.2 -287,-0.0 -0.555 360.0 360.0 -93.2 360.0 7.3 43.0 5.3 820 !* 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 0.0 821 19 D Y 0 0 156 0, 0.0 2,-0.5 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 125.1 -2.9 60.8 23.4 822 20 D N > - 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0 0 51 -2,-0.3 4,-2.7 1,-0.1 3,-0.2 -0.671 42.1-106.5 -97.8 156.3 -27.0 72.9 31.5 1048 285 D V H > S+ 0 0 43 1,-0.3 4,-2.6 -2,-0.3 5,-0.2 0.892 120.2 50.1 -48.3 -52.4 -28.7 69.8 33.0 1049 286 D H H > S+ 0 0 150 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.910 111.3 49.6 -54.2 -45.9 -31.4 69.7 30.4 1050 287 D E H > S+ 0 0 85 -3,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.941 108.8 52.0 -59.7 -48.2 -28.8 70.0 27.6 1051 288 D V H X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.2 5,-0.3 0.914 108.0 52.3 -55.5 -44.2 -26.7 67.2 29.2 1052 289 D I H X S+ 0 0 25 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.916 111.7 45.4 -58.6 -44.9 -29.8 65.0 29.2 1053 290 D A H X S+ 0 0 57 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.903 113.2 53.2 -61.4 -41.0 -30.4 65.7 25.5 1054 291 D I H X S+ 0 0 42 -4,-3.2 4,-1.6 2,-0.2 -2,-0.2 0.944 112.0 41.7 -60.5 -51.9 -26.7 65.0 25.0 1055 292 D V H X S+ 0 0 1 -4,-3.3 4,-1.1 2,-0.2 -1,-0.2 0.900 112.8 53.5 -64.2 -43.4 -26.7 61.6 26.7 1056 293 D N H >X S+ 0 0 58 -4,-2.4 4,-0.8 -5,-0.3 3,-0.7 0.903 107.6 52.3 -59.4 -39.0 -29.9 60.6 25.1 1057 294 D G H >X S+ 0 0 28 -4,-2.1 4,-1.9 1,-0.3 3,-0.9 0.869 100.3 62.2 -63.4 -37.2 -28.4 61.4 21.7 1058 295 D W H 3X S+ 0 0 26 -4,-1.6 4,-2.1 1,-0.2 -1,-0.3 0.828 96.1 61.8 -55.7 -31.1 -25.5 59.2 22.7 1059 296 D K H S+ 0 0 0 -4,-2.1 5,-3.8 -5,-0.3 -1,-0.2 0.767 108.5 50.0 -69.6 -21.5 -23.7 49.3 15.9 1067 304 D C H ><5S+ 0 0 4 -4,-1.3 3,-1.2 -3,-0.3 -231,-0.2 0.940 108.8 50.1 -80.7 -47.4 -25.6 49.3 12.6 1068 305 D A H 3<5S+ 0 0 0 -4,-2.4 -236,-2.7 1,-0.3 -2,-0.2 0.740 115.4 44.6 -57.4 -27.3 -22.6 50.4 10.6 1069 306 D L T 3<5S- 0 0 4 -4,-1.5 -1,-0.3 -238,-0.2 -2,-0.2 0.503 115.4-124.3 -92.2 -9.4 -20.7 47.5 12.4 1070 307 D N T < 5 + 0 0 26 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.955 58.2 145.8 64.9 52.6 -23.7 45.3 11.7 1071 308 D C < - 0 0 5 -5,-3.8 -1,-0.2 -8,-0.2 -2,-0.1 -0.973 34.8-172.3-122.1 137.9 -24.4 44.3 15.3 1072 309 D Q S S+ 0 0 17 -2,-0.4 -229,-3.4 -230,-0.1 2,-0.3 0.732 73.6 28.1 -97.2 -26.2 -27.7 43.6 16.9 1073 310 D T S S- 0 0 37 -231,-0.2 4,-0.4 1,-0.1 -229,-0.1 -0.858 77.0-114.4-131.4 165.8 -26.6 43.2 20.5 1074 311 D I S > S+ 0 0 12 -229,-0.5 3,-2.3 -231,-0.4 4,-0.3 0.953 116.8 56.8 -59.6 -49.4 -23.9 44.4 22.9 1075 312 D A G > S+ 0 0 55 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.883 98.7 58.7 -46.7 -51.0 -22.6 40.8 23.1 1076 313 D E G > S+ 0 0 72 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.624 85.7 81.5 -59.3 -14.2 -22.2 40.5 19.3 1077 314 D L G X S+ 0 0 0 -3,-2.3 3,-1.6 -4,-0.4 -1,-0.3 0.794 78.7 67.5 -62.2 -27.3 -19.8 43.5 19.5 1078 315 D R G < S+ 0 0 118 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.530 94.4 57.8 -73.5 -5.7 -17.0 41.1 20.5 1079 316 D N G < S+ 0 0 118 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.457 79.9 114.4-102.5 -2.2 -17.1 39.5 17.1 1080 317 D V < - 0 0 10 -3,-1.6 2,-0.3 -4,-0.2 -249,-0.1 -0.400 68.7-122.9 -63.8 141.2 -16.4 42.8 15.4 1081 318 D D + 0 0 95 -251,-0.4 -251,-3.2 -2,-0.1 2,-0.3 -0.692 34.9 177.7 -89.7 141.0 -13.0 42.9 13.6 1082 319 D Y E -H 829 0M 63 -2,-0.3 2,-0.4 -253,-0.2 -253,-0.2 -0.948 21.9-141.1-140.4 160.1 -10.5 45.6 14.5 1083 320 D L E -H 828 0M 23 -255,-2.8 -255,-2.8 -2,-0.3 2,-0.4 -0.951 15.6-141.4-120.0 147.1 -7.0 46.7 13.7 1084 321 D L E -H 827 0M 12 -2,-0.4 2,-0.3 -257,-0.2 -257,-0.2 -0.902 19.7-173.6-109.5 134.9 -4.4 48.0 16.1 1085 322 D Y >> - 0 0 36 -259,-2.6 4,-1.0 -2,-0.4 3,-0.8 -0.838 41.9 -19.6-122.7 159.5 -2.0 50.9 15.3 1086 323 D G H 3> S+ 0 0 20 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 -0.118 122.1 4.4 56.2-130.6 1.0 52.6 16.9 1087 324 D R H 3> S+ 0 0 93 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 133.0 51.4 -60.3 -45.4 1.7 52.3 20.6 1088 325 D L H <> S+ 0 0 2 -3,-0.8 4,-0.9 1,-0.2 -1,-0.2 0.900 111.9 45.8 -58.9 -47.4 -1.2 49.9 21.2 1089 326 D R H >X S+ 0 0 7 -4,-1.0 4,-1.2 2,-0.2 3,-0.8 0.917 110.8 55.1 -59.4 -45.7 0.0 47.6 18.4 1090 327 D E H >< S+ 0 0 36 -4,-3.0 3,-1.0 1,-0.3 -2,-0.2 0.935 104.4 52.5 -54.4 -44.8 3.6 47.9 19.7 1091 328 D G H 3< S+ 0 0 6 -4,-2.5 -1,-0.3 1,-0.3 3,-0.2 0.755 110.0 50.7 -64.9 -23.7 2.5 46.7 23.2 1092 329 D Q H << S+ 0 0 81 -4,-0.9 2,-0.6 -3,-0.8 -1,-0.3 0.659 106.1 55.6 -87.3 -20.2 0.9 43.7 21.6 1093 330 D R << 0 0 43 -4,-1.2 -1,-0.2 -3,-1.0 -4,-0.0 -0.733 360.0 360.0-116.4 83.8 3.9 42.6 19.5 1094 331 D Q 0 0 93 -2,-0.6 -2,-0.1 -3,-0.2 -829,-0.1 0.146 360.0 360.0-102.8 360.0 6.8 42.2 21.9