==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/VIRAL PROTEIN 30-JUL-02 1M9X . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.R.HOWARD,F.F.VAJDOS,S.LI,W.I.SUNDQUIST,C.P.HILL . 1220 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 795 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 200 16.4 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 . 7 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 58 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 357 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 4 0 0 1 8 6 1 0 4 0 4 0 1 1 0 0 2 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 10 0 15 7 0 0 2 6 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 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 1 A M 0 0 96 0, 0.0 965,-0.0 0, 0.0 964,-0.0 0.000 360.0 360.0 360.0 166.2 11.9 74.9 58.7 2 2 A V + 0 0 19 1,-0.1 1002,-0.0 2,-0.1 24,-0.0 0.930 360.0 61.6 -80.4 -41.7 13.2 74.8 55.1 3 3 A N S S- 0 0 18 23,-0.1 -1,-0.1 22,-0.1 22,-0.1 -0.740 84.0-142.4 -89.7 120.4 15.0 71.5 55.7 4 4 A P - 0 0 18 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.287 5.6-136.8 -73.8 162.6 12.7 68.7 56.6 5 5 A T E -AB 23 164A 18 159,-0.6 159,-2.3 18,-0.2 2,-0.3 -0.968 18.8-169.8-121.3 132.5 13.5 65.9 59.1 6 6 A V E -AB 22 163A 0 16,-1.9 16,-2.4 -2,-0.4 2,-0.3 -0.935 5.0-154.7-116.4 150.2 12.7 62.3 58.3 7 7 A F E -AB 21 162A 19 155,-2.9 155,-1.5 -2,-0.3 2,-0.4 -0.941 5.6-165.1-121.7 151.7 12.9 59.3 60.7 8 8 A F E -AB 20 161A 1 12,-2.8 12,-2.7 -2,-0.3 2,-0.7 -0.997 11.7-150.5-123.2 134.7 13.3 55.6 60.0 9 9 A D E -AB 19 160A 41 151,-3.0 150,-2.2 -2,-0.4 151,-1.1 -0.920 24.0-149.8 -99.7 118.4 12.6 53.0 62.8 10 10 A I E -AB 18 158A 4 8,-3.1 7,-3.2 -2,-0.7 8,-1.3 -0.714 15.4-173.0 -94.6 141.8 14.9 50.1 62.1 11 11 A A E -AB 16 157A 5 146,-2.5 146,-2.2 -2,-0.4 2,-0.5 -0.901 15.5-146.6-126.7 153.7 14.2 46.5 62.9 12 12 A V E > S-AB 15 156A 13 3,-2.8 3,-2.4 -2,-0.3 144,-0.2 -0.980 86.0 -22.2-125.1 118.8 16.4 43.4 62.7 13 13 A D T 3 S- 0 0 59 142,-2.4 -1,-0.1 -2,-0.5 143,-0.1 0.882 131.5 -49.0 40.8 47.7 14.5 40.2 61.7 14 14 A G T 3 S+ 0 0 53 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.157 115.0 118.5 87.8 -16.8 11.4 42.0 63.0 15 15 A E E < S-A 12 0A 136 -3,-2.4 -3,-2.8 1,-0.1 -1,-0.2 -0.711 71.4-108.9 -92.5 131.7 13.0 43.1 66.3 16 16 A P E +A 11 0A 117 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.196 38.2 170.6 -59.9 128.8 13.2 46.8 67.0 17 17 A L E - 0 0 57 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.793 50.4 -85.7-100.9 -53.6 16.7 48.2 66.9 18 18 A G E -A 10 0A 24 -8,-1.3 -8,-3.1 2,-0.0 2,-0.4 -0.927 40.3 -69.2 163.1-176.4 16.1 52.0 67.1 19 19 A R E -A 9 0A 113 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.729 28.8-170.1-107.0 139.7 15.3 55.2 65.3 20 20 A V E -A 8 0A 1 -12,-2.7 -12,-2.8 -2,-0.4 2,-0.3 -0.989 8.7-167.5-123.1 135.7 17.5 57.2 63.0 21 21 A S E -A 7 0A 9 113,-2.5 112,-2.6 -2,-0.4 2,-0.4 -0.908 3.6-158.4-120.5 158.2 16.5 60.7 61.9 22 22 A F E -AC 6 132A 0 -16,-2.4 -16,-1.9 -2,-0.3 2,-0.5 -0.987 17.3-135.6-134.2 141.7 18.0 62.8 59.1 23 23 A E E -AC 5 131A 52 108,-2.7 108,-2.0 -2,-0.4 2,-0.5 -0.866 24.8-149.1 -85.7 132.1 18.2 66.4 58.1 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.2 -2,-0.5 3,-0.3 -0.902 11.1-135.0-106.6 123.7 17.4 66.7 54.4 25 25 A F >> + 0 0 29 104,-2.5 4,-2.8 -2,-0.5 3,-1.9 -0.408 42.0 155.8 -81.5 71.5 19.2 69.7 52.8 26 26 A A T 34 + 0 0 23 -2,-2.2 -1,-0.2 1,-0.3 -23,-0.1 0.793 69.7 67.2 -64.7 -28.0 16.3 71.0 50.8 27 27 A D T 34 S+ 0 0 37 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.658 116.2 23.1 -68.0 -11.1 18.1 74.4 50.8 28 28 A K T <4 S+ 0 0 91 -3,-1.9 -2,-0.2 101,-0.1 -1,-0.1 0.730 139.9 20.7-120.0 -37.6 20.9 72.9 48.6 29 29 A V X + 0 0 0 -4,-2.8 4,-3.0 100,-0.1 5,-0.2 -0.673 66.7 164.9-133.4 65.2 19.3 70.0 46.8 30 30 A P H > S+ 0 0 60 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.902 74.9 50.1 -58.8 -37.2 15.6 70.5 46.9 31 31 A K H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.2 -5,-0.1 0.903 116.2 41.9 -68.2 -41.9 14.6 68.0 44.2 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.920 115.9 50.5 -71.1 -40.5 16.7 65.2 45.7 33 33 A A H X S+ 0 0 1 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.925 109.5 49.6 -60.4 -50.4 15.5 66.1 49.3 34 34 A E H X S+ 0 0 70 -4,-2.6 4,-3.0 -5,-0.2 5,-0.3 0.894 107.7 55.7 -62.7 -39.0 11.8 66.1 48.3 35 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.962 112.7 39.7 -56.9 -50.5 12.2 62.7 46.6 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.904 115.2 53.7 -70.3 -37.9 13.5 61.0 49.8 37 37 A R H X S+ 0 0 24 -4,-2.3 4,-1.2 -5,-0.2 3,-0.3 0.971 111.9 44.6 -63.0 -49.1 11.1 63.0 52.0 38 38 A A H X>S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 5,-0.7 0.863 111.8 51.4 -65.8 -38.0 8.0 61.9 50.0 39 39 A L H <5S+ 0 0 0 -4,-2.2 9,-1.9 -5,-0.3 10,-0.5 0.831 108.6 54.8 -63.6 -27.9 9.2 58.3 49.8 40 40 A S H <5S+ 0 0 1 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.722 111.4 41.6 -78.5 -27.6 9.6 58.4 53.6 41 41 A T H <5S- 0 0 47 -4,-1.2 -1,-0.2 121,-0.2 -2,-0.2 0.704 98.6-133.5 -92.0 -17.3 6.1 59.5 54.3 42 42 A G T ><5 + 0 0 32 -4,-1.6 3,-2.4 4,-0.2 -3,-0.1 0.515 59.0 140.7 84.1 2.5 4.5 57.2 51.7 43 43 A E T 3 < + 0 0 105 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.625 66.2 55.6 -55.8 -21.2 2.4 60.1 50.4 44 44 A K T 3 S- 0 0 102 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.490 123.4-104.3 -91.3 1.1 2.7 59.0 46.8 45 45 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.476 98.1 57.9 87.3 13.7 1.3 55.6 47.7 46 46 A F + 0 0 61 -4,-0.0 -2,-0.5 32,-0.0 2,-0.3 -0.950 62.9 105.9-159.3 164.0 4.7 53.8 47.6 47 47 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.991 70.3 -33.4 155.9-159.6 8.0 54.3 49.4 48 48 A Y S > S+ 0 0 0 -9,-1.9 3,-2.5 -2,-0.3 110,-0.3 0.730 80.0 114.6 -77.7 -20.1 10.4 53.1 52.0 49 49 A K T 3 S+ 0 0 137 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.249 91.7 9.9 -59.8 129.7 8.2 51.7 54.8 50 50 A G T 3 S+ 0 0 50 108,-3.5 -1,-0.3 1,-0.3 109,-0.1 0.274 101.2 121.3 86.0 -9.9 8.9 48.0 55.0 51 51 A S < - 0 0 1 -3,-2.5 107,-2.7 107,-0.2 -1,-0.3 -0.145 52.8-124.7 -82.0 174.1 11.9 48.0 52.7 52 52 A C B -D 157 0A 27 14,-0.3 2,-1.0 105,-0.2 13,-0.5 -0.756 15.8-115.8-129.3 158.3 15.3 46.8 53.6 53 53 A F + 0 0 2 103,-2.6 103,-0.4 -2,-0.3 11,-0.3 -0.913 40.5 178.1 -85.4 100.5 19.0 47.8 53.8 54 54 A H + 0 0 33 -2,-1.0 98,-0.4 9,-0.4 2,-0.4 0.605 61.6 41.6 -87.7 -11.8 20.1 45.2 51.2 55 55 A R E +E 63 0A 43 8,-1.6 8,-3.5 96,-0.1 2,-0.5 -0.940 60.1 169.2-148.0 111.5 23.7 46.1 51.2 56 56 A I E -E 62 0A 0 94,-1.9 91,-1.9 -2,-0.4 94,-0.3 -0.988 9.6-171.8-131.6 119.5 25.8 47.0 54.1 57 57 A I E >> -E 61 0A 6 4,-2.7 3,-2.1 -2,-0.5 4,-1.3 -0.928 27.2-126.1-115.5 105.1 29.6 47.3 53.9 58 58 A P T 34 S+ 0 0 64 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.208 94.2 14.6 -57.8 137.3 31.3 47.7 57.3 59 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.520 130.6 52.5 72.9 10.0 33.6 50.7 57.4 60 60 A F T <4 S- 0 0 1 -3,-2.1 56,-2.5 1,-0.2 57,-0.7 0.487 104.9 -47.2-129.0 -76.3 32.0 52.1 54.3 61 61 A M E < -EF 57 115A 0 -4,-1.3 -4,-2.7 54,-0.3 2,-0.5 -0.995 28.3-121.0-159.7 170.6 28.3 52.5 54.1 62 62 A C E -EF 56 114A 0 52,-2.4 52,-2.7 -2,-0.3 2,-0.4 -0.985 33.9-163.0-114.1 127.7 24.7 51.2 54.6 63 63 A Q E +EF 55 113A 0 -8,-3.5 -8,-1.6 -2,-0.5 -9,-0.4 -0.856 21.6 133.1-121.0 141.8 22.5 51.1 51.4 64 64 A G E + F 0 112A 0 48,-2.3 48,-1.7 -2,-0.4 -11,-0.2 -0.641 19.9 105.7-152.6-166.2 18.8 50.9 51.0 65 65 A G + 0 0 0 -13,-0.5 2,-1.6 46,-0.3 11,-0.3 0.404 42.2 128.2 92.8 9.2 15.7 52.2 49.2 66 66 A D > + 0 0 0 -14,-0.5 4,-1.1 1,-0.2 -14,-0.3 -0.662 21.9 158.6 -90.8 87.5 15.0 49.5 46.7 67 67 A F T 4 + 0 0 25 -2,-1.6 -1,-0.2 2,-0.2 -20,-0.1 0.404 65.6 55.4 -90.8 4.5 11.4 49.1 47.7 68 68 A T T 4 S+ 0 0 60 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.830 128.3 7.9-104.9 -41.8 10.3 47.5 44.4 69 69 A R T 4 S- 0 0 153 0, 0.0 -2,-0.2 0, 0.0 4,-0.1 0.525 82.8-141.5-116.1 -7.1 12.7 44.6 44.1 70 70 A H S < S+ 0 0 96 -4,-1.1 -3,-0.1 1,-0.1 -4,-0.0 0.645 83.0 73.2 60.2 17.1 14.5 44.5 47.5 71 71 A N S S- 0 0 89 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.343 111.9 -88.7-144.0 9.5 17.9 43.6 46.0 72 72 A G S S+ 0 0 11 -6,-0.1 39,-0.1 482,-0.1 -2,-0.1 0.116 107.8 90.8 101.9 -23.4 19.4 46.6 44.3 73 73 A T S S+ 0 0 85 -7,-0.1 2,-0.1 -4,-0.1 -3,-0.0 0.594 87.4 47.2 -88.8 -4.0 18.0 46.1 40.8 74 74 A G + 0 0 14 -8,-0.1 36,-0.2 2,-0.0 37,-0.2 -0.219 52.3 124.5-115.5-152.7 14.9 48.2 41.5 75 75 A G - 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0 0 55 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.936 57.2 -45.2 -69.1 -50.7 21.1 67.8 40.9 87 87 A N - 0 0 35 -3,-0.1 -1,-0.3 41,-0.1 41,-0.1 -0.951 35.0-132.8-165.3 171.2 24.5 69.2 42.0 88 88 A F + 0 0 81 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.138 63.9 121.4-125.2 43.4 27.6 68.1 43.8 89 89 A I + 0 0 109 39,-0.1 2,-0.2 -61,-0.1 -1,-0.1 0.911 61.1 67.4 -69.4 -50.5 28.0 71.0 46.1 90 90 A L S S- 0 0 42 38,-0.3 38,-0.5 -3,-0.1 2,-0.3 -0.519 77.5-140.9 -80.7 144.4 27.9 69.0 49.3 91 91 A K - 0 0 135 -2,-0.2 2,-1.4 32,-0.1 29,-0.1 -0.726 20.4-111.8-109.3 160.7 30.7 66.6 50.2 92 92 A H + 0 0 1 -2,-0.3 27,-0.3 27,-0.2 31,-0.1 -0.684 49.6 162.2 -86.1 86.8 31.1 63.2 51.7 93 93 A T - 0 0 99 -2,-1.4 25,-0.2 1,-0.2 -1,-0.2 0.428 51.0 -60.2 -97.4 -5.3 32.7 64.3 54.9 94 94 A G S > S- 0 0 7 23,-0.4 3,-1.6 -3,-0.1 23,-0.3 -0.919 85.7 -4.6 155.4-167.6 32.3 61.4 57.3 95 95 A P T 3 S+ 0 0 82 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.126 115.2 28.8 -57.0 138.3 29.8 59.2 59.1 96 96 A G T 3 S+ 0 0 4 19,-3.3 36,-2.1 1,-0.3 20,-0.1 0.197 76.3 143.3 94.0 -6.9 26.2 60.0 58.8 97 97 A I E < -G 131 0A 14 -3,-1.6 18,-2.9 34,-0.2 2,-0.5 -0.399 40.8-145.7 -63.8 136.1 26.3 61.6 55.3 98 98 A L E +GH 130 114A 0 32,-2.7 31,-2.9 16,-0.2 32,-1.5 -0.927 29.6 164.1-105.4 120.8 23.2 60.7 53.3 99 99 A S E -GH 128 113A 0 14,-2.4 14,-3.0 -2,-0.5 2,-0.5 -0.897 37.3 -97.8-141.3 160.1 23.8 60.3 49.6 100 100 A M E - 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0 0 81 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.478 29.9-110.5 -84.8 162.6 23.0 15.0 28.4 442 111 C L H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.935 119.9 54.7 -57.2 -46.9 20.2 17.6 28.2 443 112 C Q H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 107.2 49.4 -56.2 -41.8 20.0 17.5 32.0 444 113 C E H > S+ 0 0 52 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.923 109.7 51.1 -60.2 -47.8 23.7 18.2 32.3 445 114 C Q H X S+ 0 0 3 -4,-2.3 4,-2.5 2,-0.2 12,-0.2 0.951 110.1 49.8 -55.5 -45.5 23.4 21.2 29.9 446 115 C I H X S+ 0 0 18 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.950 109.5 53.8 -61.4 -40.7 20.5 22.6 31.9 447 116 C G H X S+ 0 0 17 -4,-2.4 4,-0.8 -5,-0.3 -1,-0.2 0.912 110.2 43.4 -61.3 -46.9 22.6 22.2 35.0 448 117 C W H < S+ 0 0 0 -4,-2.6 7,-2.4 1,-0.2 3,-0.4 0.904 114.6 50.7 -60.1 -47.2 25.6 24.1 33.7 449 118 C M H < S+ 0 0 34 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.772 119.6 35.3 -67.0 -25.7 23.4 26.8 32.2 450 119 C T H < S+ 0 0 48 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.384 89.9 113.8-111.0 2.4 21.4 27.4 35.4 451 120 C H S < S- 0 0 53 -4,-0.8 -3,-0.1 -3,-0.4 -25,-0.1 -0.097 77.2 -89.5 -66.5 172.4 24.1 26.8 38.0 452 121 C N S S+ 0 0 122 1,-0.4 -1,-0.1 2,-0.1 -3,-0.0 -0.791 123.9 18.9-139.1 98.8 25.2 29.7 40.1 453 122 C P S S- 0 0 87 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.428 111.8-132.5 -82.2 162.3 27.3 31.1 38.8 454 123 C P - 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0 0 5 -3,-2.3 -1,-0.2 80,-0.1 84,-0.1 -0.300 34.7-134.2 -70.5 148.3 47.2 40.9 24.8 515 48 D T > - 0 0 6 1,-0.1 4,-2.3 79,-0.1 5,-0.2 -0.499 35.6-101.8 -83.4 160.3 45.6 43.6 26.8 516 49 D P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.894 125.0 57.7 -46.7 -42.9 43.0 45.7 25.1 517 50 D Q H > S+ 0 0 68 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.946 107.6 46.7 -59.2 -42.0 45.6 48.4 24.7 518 51 D D H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.860 108.5 54.5 -63.9 -46.0 47.9 46.0 22.9 519 52 D L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.910 110.3 47.3 -53.4 -41.2 45.1 44.8 20.6 520 53 D N H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.895 108.5 54.8 -73.4 -32.1 44.4 48.4 19.6 521 54 D T H X S+ 0 0 54 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.932 108.8 48.7 -65.5 -41.4 48.1 49.0 19.0 522 55 D M H X S+ 0 0 0 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.913 113.9 45.8 -57.7 -49.2 48.2 46.1 16.6 523 56 D L H >< S+ 0 0 9 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.910 109.1 55.3 -63.8 -36.2 45.1 47.4 14.8 524 57 D N H 3< S+ 0 0 120 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.684 94.5 69.0 -70.1 -16.4 46.5 51.0 14.6 525 58 D T H 3< S+ 0 0 49 -4,-1.0 2,-0.3 -3,-0.4 -1,-0.3 0.770 76.3 97.6 -75.2 -24.8 49.6 49.8 12.9 526 59 D V << - 0 0 21 -3,-1.3 2,-0.4 -4,-0.5 -35,-0.0 -0.509 61.4-164.6 -62.7 120.0 47.5 48.9 9.9 527 60 D G + 0 0 58 -2,-0.3 -2,-0.1 -36,-0.1 2,-0.0 -0.874 56.3 0.8-105.4 151.8 47.9 51.8 7.4 528 61 D G S S+ 0 0 56 -2,-0.4 5,-0.1 1,-0.1 -2,-0.0 -0.407 81.0 103.7 66.8-156.5 45.5 52.1 4.6 529 62 D H > + 0 0 80 1,-0.1 4,-2.6 3,-0.1 5,-0.2 0.836 46.0 162.7 40.4 41.3 42.8 49.6 4.2 530 63 D Q H > + 0 0 132 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.854 65.0 51.7 -51.4 -41.6 40.5 52.3 5.6 531 64 D A H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 112.7 45.0 -66.1 -41.7 37.2 50.6 4.4 532 65 D A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.924 110.5 54.8 -72.4 -35.4 38.1 47.3 6.0 533 66 D M H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.905 107.5 50.5 -66.6 -29.5 39.2 49.0 9.1 534 67 D Q H X S+ 0 0 83 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 106.0 55.0 -77.2 -32.2 35.8 50.7 9.4 535 68 D M H X S+ 0 0 31 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.929 108.7 49.0 -63.5 -38.3 34.1 47.4 8.9 536 69 D L H X S+ 0 0 3 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.941 108.8 52.5 -64.6 -46.2 36.0 46.1 11.9 537 70 D K H X S+ 0 0 94 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.922 106.2 53.9 -55.5 -46.2 35.2 49.1 14.0 538 71 D E H X S+ 0 0 84 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.925 110.3 47.1 -58.1 -40.8 31.4 48.7 13.2 539 72 D T H X S+ 0 0 7 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.948 111.7 50.3 -67.0 -40.9 31.6 45.1 14.5 540 73 D I H X S+ 0 0 12 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.952 112.0 47.8 -62.4 -44.2 33.5 46.2 17.6 541 74 D N H X S+ 0 0 104 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.886 112.6 49.1 -63.2 -41.0 30.9 48.9 18.3 542 75 D E H X S+ 0 0 114 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.904 112.9 46.4 -64.9 -45.8 28.1 46.4 17.8 543 76 D E H X S+ 0 0 59 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.858 110.9 53.1 -64.3 -35.4 29.6 43.8 20.1 544 77 D A H X S+ 0 0 9 -4,-2.3 4,-2.0 -5,-0.3 24,-0.4 0.854 109.5 47.5 -69.6 -36.9 30.4 46.3 22.7 545 78 D A H X S+ 0 0 57 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.878 110.9 51.9 -72.8 -32.5 26.8 47.5 22.8 546 79 D E H X S+ 0 0 70 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.873 107.9 53.4 -64.8 -44.5 25.6 43.9 23.0 547 80 D W H X S+ 0 0 44 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.949 108.7 47.9 -59.1 -47.5 28.0 43.4 25.9 548 81 D D H >< S+ 0 0 52 -4,-2.0 3,-1.1 1,-0.2 -2,-0.2 0.928 109.6 54.5 -57.4 -38.5 26.5 46.4 27.7 549 82 D R H 3< S+ 0 0 148 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.880 112.7 41.8 -64.1 -42.4 22.9 45.1 27.0 550 83 D L H 3< S+ 0 0 92 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.500 113.9 54.5 -86.1 -1.8 23.7 41.7 28.6 551 84 D H S << S- 0 0 71 -3,-1.1 -1,-0.2 -4,-0.8 3,-0.1 -0.717 75.6-157.6-131.7 84.7 25.7 43.1 31.6 552 85 D P - 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0 0 76 -2,-0.4 4,-2.1 1,-0.1 5,-0.2 -0.511 30.9-107.3 -85.1 165.2 1.8 70.7 37.7 1056 111 G L H > S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.929 120.2 53.3 -56.1 -45.1 4.6 73.3 37.8 1057 112 G Q H > S+ 0 0 132 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.898 108.4 48.2 -61.8 -39.8 4.7 73.3 34.0 1058 113 G E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.906 110.6 52.8 -63.6 -41.6 1.0 74.0 33.7 1059 114 G Q H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.956 110.2 47.1 -58.8 -45.5 1.4 76.8 36.2 1060 115 G I H X S+ 0 0 19 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.938 110.1 55.0 -62.9 -41.0 4.2 78.3 34.2 1061 116 G G H < S+ 0 0 19 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.867 109.9 43.3 -63.9 -39.2 2.2 78.0 31.1 1062 117 G W H >< S+ 0 0 0 -4,-2.4 7,-2.5 2,-0.2 3,-0.9 0.879 114.9 50.3 -67.4 -40.2 -0.8 79.9 32.4 1063 118 G M H 3< S+ 0 0 34 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.814 116.7 41.2 -71.0 -24.9 1.4 82.6 34.0 1064 119 G T T 3< S+ 0 0 52 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.165 90.2 113.7-111.5 20.9 3.4 83.1 30.7 1065 120 G H S < S- 0 0 43 -3,-0.9 -3,-0.1 4,-0.1 -25,-0.0 -0.354 75.9 -87.2 -86.5 171.6 0.6 82.9 28.2 1066 121 G N S S+ 0 0 141 1,-0.4 -2,-0.1 2,-0.1 -3,-0.0 -0.969 127.4 12.5-121.2 102.5 -0.7 85.8 26.0 1067 122 G P S S- 0 0 100 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 0.760 110.4-134.0 -80.2 164.8 -2.6 87.0 27.6 1068 123 G P - 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