==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-APR-02 1LK5 . COMPND 2 MOLECULE: D-RIBOSE-5-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR K.ISHIKAWA,I.MATSUI,F.PAYAN,C.CAMBILLAU,H.ISHIDA, . 916 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34247.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 127 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 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 . 68 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 203 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.3 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 2 3 10 1 0 2 2 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 4 3 8 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 PARALLEL BRIDGES PER LADDER . 6 8 4 4 5 3 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 . 0 0 8 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 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 0 113 0, 0.0 2,-0.1 0, 0.0 220,-0.0 0.000 360.0 360.0 360.0 168.1 35.1 9.5 76.7 2 2 A N > - 0 0 84 218,-0.0 4,-2.8 1,-0.0 5,-0.2 -0.406 360.0 -94.1-112.6 176.7 31.4 8.8 77.2 3 3 A V H > S+ 0 0 42 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.860 119.2 43.9 -51.5 -52.8 28.4 9.1 79.4 4 4 A E H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.887 113.9 52.4 -65.9 -36.7 28.5 5.7 81.1 5 5 A E H > S+ 0 0 82 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 108.6 51.0 -60.7 -44.4 32.2 6.1 81.6 6 6 A M H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.922 110.6 49.2 -58.9 -44.4 31.6 9.5 83.2 7 7 A K H X S+ 0 0 15 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.902 110.1 51.3 -60.8 -42.8 29.0 7.9 85.5 8 8 A K H X S+ 0 0 106 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.890 106.9 51.8 -64.1 -41.3 31.4 5.1 86.6 9 9 A I H X S+ 0 0 55 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.857 110.4 48.8 -68.0 -33.9 34.2 7.5 87.5 10 10 A A H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.910 111.7 50.1 -68.8 -40.5 32.0 9.5 89.7 11 11 A A H X S+ 0 0 0 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.867 109.9 50.3 -64.5 -38.3 30.7 6.3 91.4 12 12 A K H >< S+ 0 0 122 -4,-2.3 3,-0.9 1,-0.2 4,-0.3 0.909 108.0 52.4 -68.5 -41.1 34.2 5.1 92.0 13 13 A E H >< S+ 0 0 28 -4,-1.8 3,-2.1 1,-0.2 4,-0.2 0.880 99.5 65.1 -60.9 -37.5 35.3 8.4 93.6 14 14 A A H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.3 4,-0.3 0.804 85.6 71.7 -57.7 -30.0 32.3 8.2 95.9 15 15 A L G X< S+ 0 0 22 -3,-0.9 3,-1.3 -4,-0.7 -1,-0.3 0.742 82.2 73.8 -57.3 -22.3 33.8 5.1 97.5 16 16 A K G < S+ 0 0 147 -3,-2.1 -1,-0.3 -4,-0.3 -2,-0.2 0.721 94.8 50.7 -63.6 -22.9 36.4 7.4 99.1 17 17 A F G < S+ 0 0 60 -3,-2.0 2,-0.6 -4,-0.2 -1,-0.3 0.487 89.9 95.0 -94.9 -4.8 33.8 8.6 101.5 18 18 A I < + 0 0 11 -3,-1.3 2,-0.3 -4,-0.3 33,-0.0 -0.800 51.2 175.7 -96.4 122.3 32.6 5.2 102.7 19 19 A E > - 0 0 136 -2,-0.6 3,-1.2 1,-0.1 29,-0.1 -0.819 38.7 -77.4-120.2 160.7 34.2 3.8 105.9 20 20 A D T 3 S+ 0 0 80 -2,-0.3 30,-0.2 1,-0.2 -1,-0.1 -0.142 111.9 24.1 -49.3 147.8 33.7 0.7 108.0 21 21 A D T 3 S+ 0 0 109 28,-2.3 -1,-0.2 1,-0.2 2,-0.2 0.542 91.0 140.3 73.9 10.2 30.7 0.6 110.3 22 22 A M < - 0 0 11 -3,-1.2 30,-1.7 27,-0.3 2,-0.5 -0.503 50.8-138.9 -88.4 153.9 28.7 3.2 108.3 23 23 A V E -a 52 0A 21 28,-0.2 58,-1.6 -2,-0.2 59,-1.4 -0.960 30.1-161.0-105.7 123.1 24.9 3.4 107.5 24 24 A I E -ab 53 82A 0 28,-2.8 30,-2.5 -2,-0.5 2,-0.4 -0.934 18.5-133.7-118.5 123.8 24.7 4.5 103.9 25 25 A G E -ab 54 83A 0 57,-2.4 59,-2.5 -2,-0.5 2,-0.8 -0.594 26.6-144.6 -68.9 122.9 21.7 6.0 102.1 26 26 A L E -ab 55 84A 0 28,-2.4 30,-2.4 -2,-0.4 31,-0.2 -0.829 15.8-146.5-100.5 109.8 21.5 4.1 98.8 27 27 A G - 0 0 0 57,-2.0 2,-0.3 -2,-0.8 58,-0.2 -0.002 9.6-113.8 -67.9 173.6 20.3 6.3 95.9 28 28 A T + 0 0 8 28,-0.1 58,-0.6 58,-0.1 4,-0.2 -0.815 63.2 42.5-113.3 147.0 18.3 5.6 92.9 29 29 A G S > S- 0 0 15 -2,-0.3 4,-1.8 1,-0.1 -2,-0.0 -0.331 91.6 -61.3 107.6 174.4 19.1 5.6 89.2 30 30 A S H > S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.768 123.6 52.5 -71.0 -32.9 21.9 4.5 86.9 31 31 A T H >> S+ 0 0 5 1,-0.2 4,-1.1 2,-0.2 3,-0.6 0.948 115.2 41.4 -68.7 -48.2 24.8 6.6 88.2 32 32 A T H 3> S+ 0 0 0 -4,-0.2 4,-2.6 1,-0.2 5,-0.2 0.823 103.6 69.5 -68.5 -27.6 24.3 5.4 91.8 33 33 A A H 3X S+ 0 0 12 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.863 98.1 51.3 -57.7 -36.7 23.7 1.9 90.5 34 34 A Y H S+ 0 0 48 -4,-2.0 5,-2.0 1,-0.2 6,-0.7 0.873 111.5 49.8 -66.7 -34.4 34.4 -4.0 97.9 43 43 A L H ><5S+ 0 0 42 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.911 107.9 52.8 -67.2 -43.5 32.4 -5.6 100.7 44 44 A K H 3<5S+ 0 0 165 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.835 108.5 50.6 -62.6 -35.2 32.8 -9.1 99.1 45 45 A R T 3<5S- 0 0 141 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.565 114.4-118.4 -79.8 -9.4 36.5 -8.7 99.0 46 46 A G T < 5S+ 0 0 59 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.607 78.5 126.5 82.7 12.9 36.6 -7.7 102.6 47 47 A E S S- 0 0 14 -31,-0.2 4,-2.4 -30,-0.1 5,-0.1 -0.978 80.2 -98.4-168.2 167.1 13.6 3.0 96.3 58 58 A Y H > S+ 0 0 64 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.884 122.9 57.5 -62.2 -37.0 12.6 -0.5 95.4 59 59 A Q H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.956 109.4 43.0 -59.0 -48.6 15.2 -0.3 92.6 60 60 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.909 114.7 51.3 -63.2 -43.1 18.0 0.5 95.1 61 61 A K H X S+ 0 0 43 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 110.8 45.9 -60.2 -51.0 16.8 -2.2 97.5 62 62 A L H X S+ 0 0 24 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.893 113.3 50.9 -62.0 -39.3 16.6 -4.9 94.9 63 63 A L H X S+ 0 0 17 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.924 109.5 49.7 -65.5 -43.0 20.1 -3.9 93.6 64 64 A A H <>S+ 0 0 0 -4,-2.5 5,-2.9 1,-0.2 -1,-0.2 0.869 110.7 50.7 -63.0 -37.7 21.6 -4.0 97.1 65 65 A I H ><5S+ 0 0 27 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.902 106.7 54.2 -65.0 -43.0 20.1 -7.4 97.7 66 66 A E H 3<5S+ 0 0 139 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.781 112.2 44.8 -61.7 -29.3 21.5 -8.7 94.4 67 67 A H T 3<5S- 0 0 48 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.120 115.4-116.0-103.1 18.8 25.0 -7.5 95.6 68 68 A D T < 5 + 0 0 130 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.746 59.5 154.1 53.4 34.2 24.6 -8.9 99.1 69 69 A I < - 0 0 5 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.803 47.8-118.6 -90.0 124.5 24.6 -5.6 100.9 70 70 A P - 0 0 66 0, 0.0 -17,-3.0 0, 0.0 2,-0.3 -0.370 39.0-165.9 -57.7 141.7 22.8 -5.7 104.2 71 71 A I B +c 53 0A 17 -19,-0.2 2,-0.3 -17,-0.1 -17,-0.2 -0.876 18.8 175.8-133.0 165.5 19.9 -3.2 104.2 72 72 A A - 0 0 12 -19,-2.0 2,-0.2 -2,-0.3 690,-0.0 -0.965 31.5-111.8-158.6 154.5 17.4 -1.6 106.6 73 73 A S > - 0 0 20 -2,-0.3 3,-2.1 -19,-0.1 4,-0.4 -0.511 43.5 -98.3 -87.3 166.1 14.7 1.0 106.4 74 74 A L G > S+ 0 0 10 1,-0.3 3,-1.6 2,-0.2 300,-0.1 0.870 121.3 58.2 -53.5 -41.9 15.2 4.4 108.0 75 75 A D G 3 S+ 0 0 13 298,-0.3 -1,-0.3 1,-0.3 299,-0.1 0.543 99.3 61.8 -71.2 -2.1 13.2 3.6 111.2 76 76 A Q G < S+ 0 0 52 -3,-2.1 -1,-0.3 297,-0.1 2,-0.2 0.567 101.2 57.6 -94.7 -13.7 15.6 0.7 111.8 77 77 A V < - 0 0 21 -3,-1.6 3,-0.1 -4,-0.4 -23,-0.0 -0.732 67.5-144.5-116.4 163.6 18.7 2.8 112.1 78 78 A D S S+ 0 0 142 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.583 82.6 12.7-104.4 -12.0 19.6 5.7 114.4 79 79 A A - 0 0 48 -5,-0.0 2,-0.6 35,-0.0 -1,-0.3 -0.989 56.8-138.2-158.7 153.5 21.6 7.7 111.9 80 80 A I E - d 0 114A 4 33,-0.8 35,-2.3 -2,-0.3 -56,-0.2 -0.969 20.7-173.8-109.6 112.2 22.5 8.0 108.2 81 81 A D E + 0 0 65 -58,-1.6 35,-1.2 -2,-0.6 2,-0.3 0.947 68.8 0.5 -72.8 -51.1 26.2 8.6 108.0 82 82 A V E -bd 24 116A 10 -59,-1.4 -57,-2.4 33,-0.2 2,-0.4 -0.997 61.7-160.2-139.0 137.7 26.5 9.2 104.3 83 83 A A E -bd 25 117A 0 33,-2.3 35,-3.2 -2,-0.3 2,-0.4 -0.976 6.8-165.2-117.3 138.8 23.9 9.2 101.5 84 84 A V E +bd 26 118A 0 -59,-2.5 -57,-2.0 -2,-0.4 2,-0.3 -0.985 24.2 141.8-124.0 128.3 24.8 8.8 97.9 85 85 A D E - d 0 119A 0 33,-2.0 35,-2.8 -2,-0.4 2,-0.1 -0.962 39.1-114.1-157.5 167.3 22.4 9.6 95.1 86 86 A G - 0 0 7 -58,-0.6 2,-0.3 -2,-0.3 35,-0.2 -0.271 23.6-146.4 -96.0-170.9 22.1 11.1 91.6 87 87 A A - 0 0 4 33,-0.5 11,-0.2 -2,-0.1 3,-0.1 -0.990 21.3-142.4-157.0 154.8 20.4 14.2 90.2 88 88 A D S S+ 0 0 23 9,-2.9 2,-0.3 1,-0.3 10,-0.2 0.766 93.6 10.5 -86.3 -36.2 18.6 15.5 87.2 89 89 A E E -G 97 0B 0 8,-1.5 8,-1.6 44,-0.1 2,-0.4 -0.991 59.0-168.2-142.9 145.1 20.1 19.0 87.5 90 90 A V E -Gh 96 126B 1 35,-2.3 37,-2.8 -2,-0.3 6,-0.2 -0.974 12.1-160.2-132.7 119.2 22.8 20.6 89.6 91 91 A D > - 0 0 12 4,-2.6 3,-2.0 -2,-0.4 37,-0.1 -0.407 38.6 -96.9 -91.2 171.0 23.2 24.4 89.7 92 92 A P T 3 S+ 0 0 82 0, 0.0 36,-0.1 0, 0.0 -1,-0.1 0.697 124.6 55.1 -65.0 -18.7 26.4 26.1 90.7 93 93 A N T 3 S- 0 0 108 2,-0.1 118,-0.2 134,-0.1 3,-0.1 0.262 120.9-107.9 -93.9 9.7 25.1 26.6 94.3 94 94 A L < + 0 0 4 -3,-2.0 119,-0.5 1,-0.3 2,-0.4 0.761 70.0 146.5 69.0 25.9 24.5 22.9 94.6 95 95 A N - 0 0 18 115,-0.1 -4,-2.6 116,-0.1 -1,-0.3 -0.768 32.1-160.0 -84.2 142.7 20.8 23.1 94.4 96 96 A L E -GI 90 209B 0 113,-2.0 113,-2.7 -2,-0.4 2,-0.4 -0.805 24.0-144.5-122.8 161.2 19.4 20.1 92.6 97 97 A I E +GI 89 208B 0 -8,-1.6 -9,-2.9 -2,-0.3 -8,-1.5 -0.996 32.8 168.1-117.9 131.6 16.3 18.8 90.8 98 98 A K + 0 0 6 109,-2.3 -11,-0.1 -2,-0.4 6,-0.0 -0.892 33.2 82.3-136.0 163.8 15.6 15.2 91.4 99 99 A G > + 0 0 4 -2,-0.3 3,-1.8 37,-0.1 5,-0.2 0.434 41.0 123.5 121.1 0.4 12.7 12.9 90.7 100 100 A R T 3 S+ 0 0 152 1,-0.3 -71,-0.0 2,-0.1 -2,-0.0 0.864 86.3 48.5 -57.9 -32.6 12.9 11.7 87.1 101 101 A G T 3 S- 0 0 8 526,-0.2 527,-2.4 -73,-0.1 -1,-0.3 0.428 115.3-121.9 -84.3 -1.7 12.9 8.1 88.5 102 102 A A S < S+ 0 0 2 -3,-1.8 72,-0.4 525,-0.2 3,-0.3 0.510 85.6 107.4 74.1 13.8 9.9 9.1 90.7 103 103 A A > + 0 0 8 1,-0.2 4,-2.1 2,-0.1 3,-0.2 0.160 33.6 121.2-107.2 19.5 11.6 8.2 94.0 104 104 A L H > + 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.758 67.4 58.4 -57.0 -31.2 12.0 11.8 95.2 105 105 A T H > S+ 0 0 2 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.974 111.4 37.0 -68.2 -52.9 10.0 11.3 98.4 106 106 A M H > S+ 0 0 20 -50,-0.2 4,-2.2 -3,-0.2 5,-0.3 0.843 115.5 58.5 -67.9 -32.0 12.0 8.5 100.0 107 107 A E H X S+ 0 0 5 -4,-2.1 4,-2.9 -51,-0.3 5,-0.2 0.960 110.1 40.8 -60.6 -50.5 15.2 10.1 98.6 108 108 A K H X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.876 110.9 58.2 -68.4 -36.7 14.6 13.3 100.4 109 109 A I H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.2 -1,-0.2 0.937 116.6 34.1 -55.8 -45.3 13.4 11.5 103.6 110 110 A I H >< S+ 0 0 0 -4,-2.2 3,-0.7 1,-0.2 4,-0.2 0.926 118.6 49.8 -78.2 -43.6 16.8 9.6 103.8 111 111 A E H >< S+ 0 0 3 -4,-2.9 3,-1.1 -5,-0.3 -3,-0.2 0.799 101.1 64.1 -68.7 -27.5 19.1 12.4 102.5 112 112 A Y H 3< S+ 0 0 101 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.843 107.2 43.3 -64.4 -32.9 17.7 15.0 104.8 113 113 A R T << S+ 0 0 43 -3,-0.7 -33,-0.8 -4,-0.6 -1,-0.3 0.366 89.9 118.7 -94.4 2.1 19.0 13.0 107.8 114 114 A A E < -d 80 0A 15 -3,-1.1 3,-0.2 -4,-0.2 -33,-0.2 -0.475 61.7-142.8 -76.4 139.0 22.4 12.2 106.3 115 115 A G E S+ 0 0 56 -35,-2.3 2,-0.4 1,-0.3 -33,-0.2 0.933 96.7 12.1 -59.3 -47.5 25.6 13.4 107.9 116 116 A T E S-d 82 0A 46 -35,-1.2 -33,-2.3 -36,-0.1 2,-0.7 -0.988 72.0-155.2-134.3 124.9 27.0 14.0 104.4 117 117 A F E -d 83 0A 1 -2,-0.4 97,-2.7 95,-0.3 98,-1.8 -0.897 13.9-167.2-102.8 112.8 24.9 13.9 101.2 118 118 A I E -de 84 215A 0 -35,-3.2 -33,-2.0 -2,-0.7 2,-0.5 -0.879 4.5-155.9-103.5 123.1 27.0 13.1 98.2 119 119 A V E -de 85 216A 0 96,-3.0 98,-3.3 -2,-0.5 2,-0.5 -0.859 3.1-155.9-103.4 132.1 25.6 13.6 94.7 120 120 A L E + e 0 217A 0 -35,-2.8 -33,-0.5 -2,-0.5 2,-0.3 -0.921 25.8 152.8-109.6 122.0 26.9 11.7 91.7 121 121 A V E - e 0 218A 0 96,-2.5 98,-3.1 -2,-0.5 2,-0.2 -0.975 37.8-129.4-144.1 158.1 26.5 13.1 88.2 122 122 A D E > - e 0 219A 0 -2,-0.3 3,-2.1 96,-0.2 4,-0.4 -0.621 50.7 -89.3 -94.7 167.9 27.9 13.1 84.7 123 123 A E G > S+ 0 0 74 96,-1.9 3,-1.3 1,-0.3 97,-0.1 0.738 119.5 67.7 -47.0 -37.3 28.7 16.4 82.9 124 124 A R G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -35,-0.0 96,-0.0 0.718 89.8 64.5 -62.2 -24.1 25.2 16.7 81.4 125 125 A K G < S+ 0 0 38 -3,-2.1 -35,-2.3 -36,-0.1 2,-0.3 0.695 78.5 99.9 -77.0 -19.3 23.5 17.3 84.8 126 126 A L B < +h 90 0B 39 -3,-1.3 2,-0.3 -4,-0.4 -35,-0.2 -0.518 52.7 179.9 -69.7 130.6 25.3 20.6 85.4 127 127 A V - 0 0 9 -37,-2.8 3,-0.1 -2,-0.3 -2,-0.0 -0.882 38.0-132.6-128.5 161.3 23.2 23.6 84.6 128 128 A D S S+ 0 0 124 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.759 96.7 3.2 -80.9 -27.1 23.6 27.4 84.8 129 129 A Y S > S- 0 0 109 -38,-0.1 3,-1.7 -39,-0.1 -1,-0.3 -0.979 93.2 -86.3-156.9 148.0 20.3 27.8 86.6 130 130 A L T 3 S+ 0 0 1 57,-0.4 57,-0.8 -2,-0.3 -34,-0.1 -0.364 114.0 22.6 -63.5 138.0 17.6 25.3 87.8 131 131 A C T 3 S+ 0 0 0 55,-0.2 -1,-0.3 4,-0.1 5,-0.1 0.530 81.6 123.3 79.3 12.0 15.1 24.4 85.1 132 132 A Q S < S+ 0 0 61 -3,-1.7 -2,-0.1 1,-0.1 -43,-0.0 0.866 96.8 3.1 -62.5 -34.4 17.5 25.3 82.3 133 133 A K S S+ 0 0 110 -4,-0.2 -1,-0.1 1,-0.2 -3,-0.1 0.711 126.9 40.4-121.0 -34.4 17.1 21.7 81.1 134 134 A M - 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0 0 94 1,-0.0 4,-1.7 4,-0.0 3,-0.1 -0.272 360.0 -89.0 -73.4 174.8 -26.9 19.1 125.4 233 3 B V H > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 124.4 50.7 -57.6 -42.7 -23.8 18.3 123.3 234 4 B E H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.905 110.9 49.2 -66.6 -40.5 -25.6 16.4 120.5 235 5 B E H > S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.804 106.7 57.2 -66.8 -28.9 -28.1 19.2 120.1 236 6 B M H X S+ 0 0 5 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.895 109.1 45.4 -68.5 -39.5 -25.2 21.7 120.0 237 7 B K H >X S+ 0 0 18 -4,-1.7 4,-2.0 2,-0.2 3,-0.6 0.968 113.2 50.2 -65.0 -51.5 -23.7 19.9 117.1 238 8 B K H 3X S+ 0 0 87 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.895 107.4 52.6 -57.1 -44.2 -27.0 19.6 115.3 239 9 B I H 3X S+ 0 0 43 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.831 107.8 51.6 -63.9 -31.3 -27.8 23.3 115.6 240 10 B A H < S+ 0 0 32 -4,-1.6 3,-1.1 1,-0.2 4,-0.3 0.867 102.9 59.1 -67.0 -35.8 -27.2 26.9 110.4 244 14 B A H >< S+ 0 0 0 -4,-1.7 3,-2.0 1,-0.3 4,-0.2 0.839 92.5 68.3 -62.4 -33.5 -24.6 25.8 107.8 245 15 B L H >< S+ 0 0 19 -4,-1.2 3,-2.1 -3,-0.3 -1,-0.3 0.810 85.4 70.0 -56.6 -30.6 -27.4 24.8 105.4 246 16 B K T << S+ 0 0 146 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.739 94.8 55.7 -60.5 -22.1 -28.4 28.4 105.0 247 17 B F T < S+ 0 0 53 -3,-2.0 2,-0.5 -4,-0.3 -1,-0.3 0.474 88.2 96.5 -87.6 -4.3 -25.2 28.9 103.1 248 18 B I < + 0 0 10 -3,-2.1 2,-0.3 -4,-0.2 33,-0.0 -0.774 51.2 178.9 -95.9 128.0 -26.0 26.2 100.6 249 19 B E > - 0 0 135 -2,-0.5 3,-1.4 1,-0.1 29,-0.1 -0.785 37.6 -77.0-120.5 165.2 -27.5 27.2 97.2 250 20 B D T 3 S+ 0 0 78 -2,-0.3 30,-0.2 1,-0.2 -1,-0.1 -0.227 112.5 21.8 -56.2 149.4 -28.6 25.3 94.1 251 21 B D T 3 S+ 0 0 111 28,-1.8 -1,-0.2 1,-0.2 30,-0.2 0.470 90.6 141.4 73.4 7.0 -25.9 24.2 91.7 252 22 B M < - 0 0 28 -3,-1.4 30,-1.7 27,-0.3 2,-0.5 -0.419 50.2-137.7 -81.8 153.8 -23.1 24.3 94.3 253 23 B V E -n 282 0E 24 28,-0.2 58,-1.9 -2,-0.1 59,-1.5 -0.966 30.0-161.1-105.7 122.8 -20.2 22.0 94.7 254 24 B I E -no 283 312E 0 28,-3.0 30,-2.6 -2,-0.5 2,-0.4 -0.934 17.8-135.2-118.1 122.9 -19.8 21.3 98.4 255 25 B G E -no 284 313E 0 57,-2.7 59,-2.4 -2,-0.5 2,-0.8 -0.605 24.8-145.8 -68.6 126.0 -16.9 19.9 100.3 256 26 B L E -no 285 314E 0 28,-2.6 30,-2.3 -2,-0.4 31,-0.2 -0.849 15.4-148.0-105.0 107.8 -18.2 17.3 102.8 257 27 B G - 0 0 0 57,-2.1 2,-0.3 -2,-0.8 58,-0.2 0.029 10.5-110.8 -66.4 176.3 -16.3 17.2 106.1 258 28 B T + 0 0 10 28,-0.1 58,-0.6 58,-0.1 4,-0.3 -0.794 63.2 41.8-115.7 145.5 -15.5 14.4 108.4 259 29 B G S > S- 0 0 14 -2,-0.3 4,-1.6 1,-0.1 -2,-0.0 -0.330 90.8 -61.0 108.6 173.0 -16.7 13.6 111.9 260 30 B S H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.795 124.2 52.1 -67.0 -37.6 -19.9 13.6 114.0 261 31 B T H >> S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.942 114.3 43.0 -65.3 -47.9 -20.8 17.3 113.8 262 32 B T H 3> S+ 0 0 0 -4,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.783 101.7 69.9 -70.5 -23.2 -20.5 17.4 110.0 263 33 B A H 3X S+ 0 0 14 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.903 96.9 53.3 -60.9 -36.8 -22.4 14.1 109.8 264 34 B Y H S+ 0 0 53 -4,-2.3 5,-2.0 1,-0.2 6,-1.0 0.907 112.5 46.8 -61.7 -41.9 -33.2 19.0 101.8 273 43 B L H ><5S+ 0 0 36 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.917 110.6 52.5 -65.1 -43.2 -32.2 17.5 98.5 274 44 B K H 3<5S+ 0 0 142 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 111.2 46.6 -61.3 -38.2 -34.7 14.7 98.9 275 45 B R T 3<5S- 0 0 173 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.446 113.9-118.6 -84.1 -2.9 -37.5 17.2 99.5 276 46 B G T < 5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.608 77.3 128.8 75.5 12.7 -36.4 19.3 96.6 277 47 B E S S- 0 0 14 -31,-0.2 4,-2.5 49,-0.1 5,-0.1 -0.975 78.8-100.3-169.3 164.9 -12.9 10.9 103.7 288 58 B Y H > S+ 0 0 62 -2,-0.3 4,-3.2 2,-0.2 5,-0.3 0.902 121.8 59.2 -61.2 -39.2 -14.4 7.5 103.2 289 59 B Q H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.949 110.4 40.0 -55.0 -51.6 -16.6 8.3 106.2 290 60 B A H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.899 115.4 53.2 -64.5 -41.2 -18.1 11.3 104.5 291 61 B K H X S+ 0 0 42 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.936 111.3 43.8 -60.1 -49.3 -18.3 9.6 101.1 292 62 B L H X S+ 0 0 22 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.875 113.7 51.3 -68.3 -34.4 -20.2 6.6 102.4 293 63 B L H X S+ 0 0 18 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.928 110.5 48.8 -66.6 -43.9 -22.6 8.7 104.5 294 64 B A H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 3,-0.3 0.907 110.6 50.6 -61.4 -43.5 -23.3 10.9 101.4 295 65 B I H ><5S+ 0 0 24 -4,-2.3 3,-1.7 1,-0.2 -1,-0.2 0.917 107.1 54.3 -60.4 -43.1 -24.0 7.8 99.3 296 66 B E H 3<5S+ 0 0 130 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.799 111.9 45.2 -59.7 -30.9 -26.4 6.5 101.9 297 67 B H T 3<5S- 0 0 51 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.057 115.8-114.6-103.5 23.7 -28.3 9.8 101.7 298 68 B D T < 5 + 0 0 136 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.736 61.2 151.6 51.2 34.0 -28.3 10.0 97.9 299 69 B I < - 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