==== 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 28-JUL-02 1M9D . 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 . 620 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30425.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 62.7 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 . 102 16.5 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 29 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 177 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 2 0 0 1 4 3 0 0 2 1 1 0 0 0 0 1 1 2 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 . 4 0 8 4 0 0 2 2 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 2 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 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.3 13.4 74.3 58.0 2 2 A V + 0 0 113 1,-0.1 24,-0.1 2,-0.1 0, 0.0 0.969 360.0 58.2 -57.1 -49.9 14.9 74.3 54.6 3 3 A N S S- 0 0 15 23,-0.1 22,-0.1 22,-0.1 -1,-0.1 -0.611 84.4-142.4 -88.8 117.5 17.0 71.1 55.3 4 4 A P - 0 0 12 0, 0.0 20,-3.1 0, 0.0 2,-0.4 -0.331 1.7-139.5 -73.9 165.2 14.9 68.1 56.3 5 5 A T E -A 23 0A 7 159,-0.2 159,-2.6 18,-0.2 2,-0.3 -0.959 21.7-178.1-120.9 125.0 15.8 65.5 58.9 6 6 A V E -AB 22 163A 0 16,-2.1 16,-2.6 -2,-0.4 2,-0.3 -0.943 9.6-150.6-121.3 157.1 15.0 61.9 58.2 7 7 A F E -AB 21 162A 19 155,-2.5 155,-1.7 -2,-0.3 2,-0.4 -0.910 6.5-162.2-126.2 150.5 15.5 58.8 60.3 8 8 A F E -AB 20 161A 1 12,-2.6 12,-2.9 -2,-0.3 2,-0.6 -0.989 10.5-152.9-125.0 124.3 16.2 55.1 59.7 9 9 A D E -AB 19 160A 38 151,-3.4 150,-2.2 -2,-0.4 151,-1.4 -0.969 24.7-152.2 -89.9 114.5 15.6 52.4 62.4 10 10 A I E -AB 18 158A 3 8,-2.4 7,-3.2 -2,-0.6 8,-1.3 -0.740 12.3-168.2 -94.1 137.7 18.1 49.7 61.5 11 11 A A E -AB 16 157A 5 146,-2.4 146,-2.4 -2,-0.3 2,-0.5 -0.883 14.1-146.8-126.3 151.7 17.5 46.0 62.3 12 12 A V E > S-AB 15 156A 16 3,-2.3 3,-2.8 -2,-0.3 144,-0.2 -0.996 87.9 -23.2-120.7 114.3 19.9 43.0 62.2 13 13 A D T 3 S- 0 0 94 142,-2.6 -1,-0.1 -2,-0.5 143,-0.1 0.901 131.5 -50.1 41.8 48.6 18.1 39.7 61.2 14 14 A G T 3 S+ 0 0 55 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.336 113.6 117.7 76.4 -9.2 15.0 41.5 62.6 15 15 A E E < S-A 12 0A 138 -3,-2.8 -3,-2.3 1,-0.0 -1,-0.2 -0.794 72.9-107.9 -93.0 130.8 16.4 42.6 65.9 16 16 A P E +A 11 0A 115 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.290 36.5 174.9 -56.3 131.6 16.6 46.4 66.5 17 17 A L E - 0 0 62 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.795 51.0 -89.1-100.0 -48.7 20.1 47.8 66.3 18 18 A G E -A 10 0A 24 -8,-1.3 -8,-2.4 120,-0.0 2,-0.3 -0.910 41.7 -60.9 161.7-172.7 19.3 51.6 66.6 19 19 A R E -A 9 0A 106 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.691 29.2-171.2-102.7 139.8 18.4 54.8 65.0 20 20 A V E -A 8 0A 1 -12,-2.9 -12,-2.6 -2,-0.3 2,-0.3 -0.987 10.5-167.1-129.3 128.5 20.4 56.8 62.5 21 21 A S E -A 7 0A 1 113,-2.5 112,-2.8 -2,-0.5 113,-0.4 -0.921 2.7-160.0-112.2 156.3 19.2 60.3 61.6 22 22 A F E -AC 6 132A 0 -16,-2.6 -16,-2.1 -2,-0.3 2,-0.5 -0.973 17.4-137.7-140.0 138.7 20.4 62.5 58.7 23 23 A E E -AC 5 131A 47 108,-2.3 108,-1.9 -2,-0.3 2,-0.5 -0.896 25.9-146.8 -86.1 130.4 20.4 66.1 57.8 24 24 A L E - C 0 130A 0 -20,-3.1 2,-2.3 -2,-0.5 106,-0.3 -0.911 10.0-133.4-103.3 132.7 19.5 66.5 54.1 25 25 A F >> + 0 0 28 104,-2.2 4,-3.1 -2,-0.5 3,-2.0 -0.357 43.6 154.1 -87.6 59.8 21.1 69.4 52.2 26 26 A A T 34 + 0 0 24 -2,-2.3 -1,-0.2 1,-0.3 -23,-0.1 0.708 69.1 66.7 -59.3 -20.7 18.1 70.7 50.4 27 27 A D T 34 S+ 0 0 81 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.564 115.8 23.7 -76.8 -11.5 19.9 74.1 50.4 28 28 A K T <4 S+ 0 0 88 -3,-2.0 -2,-0.2 101,-0.1 -1,-0.1 0.639 139.9 20.1-118.1 -36.2 22.6 72.8 48.1 29 29 A V X + 0 0 0 -4,-3.1 4,-2.4 100,-0.2 5,-0.2 -0.574 67.7 168.1-136.6 70.3 21.0 69.9 46.2 30 30 A P H > S+ 0 0 68 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.884 75.2 48.4 -54.3 -43.7 17.2 70.3 46.5 31 31 A K H > S+ 0 0 66 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.875 114.4 44.8 -67.0 -43.0 16.1 67.7 44.0 32 32 A T H > S+ 0 0 0 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.880 114.9 50.1 -65.9 -46.5 18.4 65.0 45.3 33 33 A A H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.943 108.9 50.1 -54.7 -44.5 17.4 65.8 48.9 34 34 A E H X S+ 0 0 64 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.875 106.8 57.0 -73.8 -27.1 13.7 65.7 48.1 35 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.964 111.9 39.4 -62.4 -50.5 14.1 62.4 46.4 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.803 115.3 54.7 -67.1 -39.0 15.6 60.7 49.5 37 37 A R H X S+ 0 0 29 -4,-2.4 4,-1.8 -5,-0.2 3,-0.2 0.967 111.3 43.3 -55.9 -54.2 13.2 62.6 51.8 38 38 A A H X>S+ 0 0 1 -4,-2.6 4,-1.1 1,-0.2 5,-0.9 0.866 112.5 52.1 -61.1 -39.8 10.2 61.3 49.9 39 39 A L H <5S+ 0 0 1 -4,-2.1 9,-1.5 -5,-0.3 10,-0.5 0.854 108.3 53.5 -65.8 -32.9 11.5 57.8 49.7 40 40 A S H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.815 112.6 42.4 -73.8 -33.9 12.1 57.8 53.5 41 41 A T H <5S- 0 0 49 -4,-1.8 -1,-0.2 121,-0.2 -2,-0.2 0.611 98.9-135.1 -82.3 -18.6 8.5 58.8 54.2 42 42 A G T ><5 + 0 0 31 -4,-1.1 3,-2.3 4,-0.2 -3,-0.2 0.621 55.1 146.0 68.9 20.6 7.0 56.5 51.6 43 43 A E T 3 < + 0 0 97 -5,-0.9 -4,-0.1 1,-0.3 4,-0.1 0.814 64.4 53.5 -68.5 -24.1 4.7 59.3 50.5 44 44 A K T 3 S- 0 0 110 -6,-0.5 -1,-0.3 2,-0.4 3,-0.1 0.448 126.6 -97.0 -80.4 -5.2 4.6 58.4 46.9 45 45 A G S < S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.491 101.5 57.3 104.6 -2.0 3.5 54.8 47.9 46 46 A F + 0 0 59 -8,-0.2 -2,-0.4 -4,-0.0 2,-0.3 -0.975 60.0 104.4-151.1 164.3 6.9 53.2 47.7 47 47 A G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.997 71.8 -29.9 154.9-160.9 10.4 53.8 49.3 48 48 A Y S > S+ 0 0 0 -9,-1.5 3,-2.3 -2,-0.3 110,-0.3 0.577 79.4 118.6 -65.1 -29.1 13.0 52.6 51.8 49 49 A K T 3 S+ 0 0 142 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.344 89.9 6.0 -51.3 128.6 10.8 51.0 54.5 50 50 A G T 3 S+ 0 0 48 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.243 100.0 126.0 80.9 -6.9 11.7 47.3 54.7 51 51 A S < - 0 0 2 -3,-2.3 107,-2.7 107,-0.2 -1,-0.3 -0.304 50.5-126.9 -79.4 173.9 14.6 47.4 52.3 52 52 A C B -D 157 0A 19 14,-0.3 2,-0.8 105,-0.2 13,-0.6 -0.589 14.7-116.7-120.1 158.6 18.2 46.2 53.1 53 53 A F - 0 0 2 103,-2.0 103,-0.4 11,-0.2 11,-0.3 -0.934 37.5-179.6 -94.0 107.8 21.7 47.5 52.9 54 54 A H + 0 0 31 -2,-0.8 2,-0.4 9,-0.3 98,-0.3 0.569 61.5 42.3 -92.5 -11.7 23.0 45.0 50.4 55 55 A R E +E 63 0A 40 8,-1.7 8,-3.0 96,-0.1 2,-0.4 -0.879 58.7 165.1-141.2 120.3 26.6 46.1 50.2 56 56 A I E -E 62 0A 0 94,-2.0 91,-2.1 -2,-0.4 94,-0.3 -0.971 9.9-174.9-138.5 121.3 28.8 47.0 53.1 57 57 A I E >> -E 61 0A 13 4,-2.2 3,-2.1 -2,-0.4 4,-1.0 -0.900 30.2-123.4-119.5 106.2 32.5 47.3 52.8 58 58 A P T 34 S+ 0 0 63 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.077 95.6 17.7 -55.0 140.5 34.2 47.9 56.2 59 59 A G T 34 S+ 0 0 49 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.538 128.1 55.0 76.4 -4.0 36.4 51.0 56.3 60 60 A F T <4 S- 0 0 1 -3,-2.1 56,-2.5 1,-0.2 57,-0.6 0.580 105.3 -55.0-124.6 -79.3 34.6 52.3 53.1 61 61 A M E < -EF 57 115A 0 -4,-1.0 -4,-2.2 54,-0.3 2,-0.4 -0.961 29.5-116.3-167.1 166.4 30.8 52.6 53.2 62 62 A C E -EF 56 114A 0 52,-2.0 52,-2.0 -2,-0.3 2,-0.4 -0.992 34.3-162.6-112.4 127.4 27.4 51.0 53.7 63 63 A Q E +EF 55 113A 0 -8,-3.0 -8,-1.7 -2,-0.4 -9,-0.3 -0.865 22.9 135.9-121.2 133.6 25.2 51.0 50.6 64 64 A G E + F 0 112A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.700 20.1 104.6-149.3-159.9 21.4 50.5 50.4 65 65 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.2 11,-0.3 0.492 40.9 128.2 83.6 6.0 18.2 51.8 48.8 66 66 A D > + 0 0 1 -14,-0.4 4,-1.2 1,-0.2 -14,-0.3 -0.634 23.8 160.7 -87.7 88.0 17.4 49.1 46.2 67 67 A F T 4 + 0 0 27 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.432 67.2 51.7 -90.9 0.6 13.9 48.6 47.3 68 68 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.713 129.5 9.7-105.5 -38.1 12.7 46.9 44.1 69 69 A R T 4 S- 0 0 156 0, 0.0 4,-0.2 0, 0.0 -2,-0.2 0.343 81.1-140.9-124.5 0.7 15.4 44.2 43.7 70 70 A H S < S+ 0 0 97 -4,-1.2 -3,-0.1 1,-0.2 -5,-0.0 0.621 81.0 74.1 56.9 19.8 17.3 44.1 46.9 71 71 A N S S- 0 0 89 -7,-0.0 -1,-0.2 -16,-0.0 -4,-0.1 0.427 112.0 -85.9-145.6 2.9 20.8 43.5 45.4 72 72 A G S S+ 0 0 10 -6,-0.1 -2,-0.1 492,-0.0 39,-0.1 0.249 109.7 91.0 107.7 -9.4 22.1 46.6 43.7 73 73 A T S S+ 0 0 91 -4,-0.2 2,-0.1 -7,-0.1 -3,-0.0 0.714 85.9 39.9 -95.2 -17.9 20.4 46.0 40.4 74 74 A G + 0 0 8 -8,-0.1 36,-0.2 2,-0.0 37,-0.2 -0.060 52.5 121.9-104.5-150.7 17.2 47.9 41.2 75 75 A G - 0 0 9 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.202 33.6-146.3 105.5 158.6 15.8 51.1 42.8 76 76 A K - 0 0 87 -11,-0.3 33,-0.1 -2,-0.1 -9,-0.1 -0.962 8.5-133.0-157.6 144.3 13.8 54.0 41.4 77 77 A S > - 0 0 2 -2,-0.3 3,-0.7 31,-0.2 33,-0.1 -0.308 31.8-109.0 -93.0 170.9 13.7 57.7 42.1 78 78 A I T 3 S+ 0 0 30 31,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.525 109.0 79.0 -75.1 -5.6 10.5 59.7 42.6 79 79 A Y T 3 S- 0 0 86 2,-0.2 -1,-0.2 30,-0.1 3,-0.1 0.552 113.1-105.9 -83.9 -4.5 11.1 61.3 39.2 80 80 A G S < S+ 0 0 65 -3,-0.7 2,-0.2 3,-0.0 -2,-0.1 0.603 93.0 8.6 91.9 6.7 9.8 58.3 37.2 81 81 A E S S- 0 0 124 27,-0.1 -2,-0.2 28,-0.1 -5,-0.1 -0.811 108.1 -40.7 165.9 168.8 13.2 57.2 36.2 82 82 A K - 0 0 85 -2,-0.2 2,-0.3 25,-0.1 27,-0.2 0.010 60.7-150.6 -41.7 153.8 17.0 57.9 36.8 83 83 A F B -I 108 0B 6 25,-2.2 25,-2.0 1,-0.0 2,-0.1 -0.808 16.1 -86.5-139.1 162.0 17.9 61.6 37.2 84 84 A E - 0 0 87 -2,-0.3 2,-0.5 23,-0.2 3,-0.1 -0.412 43.4 -97.6 -67.5 151.9 20.8 63.8 36.6 85 85 A D - 0 0 25 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.550 36.1-156.6 -58.6 110.2 23.7 64.6 38.9 86 86 A E - 0 0 60 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.908 58.6 -44.1 -66.0 -49.9 22.5 67.9 40.4 87 87 A N - 0 0 37 -58,-0.1 -1,-0.3 -3,-0.1 3,-0.2 -0.933 35.6-131.1-165.9 173.1 25.9 69.2 41.3 88 88 A F + 0 0 83 -2,-0.3 36,-0.1 1,-0.1 38,-0.0 -0.116 63.9 121.4-124.6 38.8 29.2 68.1 42.8 89 89 A I + 0 0 111 39,-0.1 2,-0.2 -61,-0.1 -1,-0.1 0.958 61.4 67.2 -65.7 -41.7 29.6 71.1 45.3 90 90 A L S S- 0 0 42 38,-0.3 38,-0.5 -3,-0.2 2,-0.2 -0.501 75.8-145.1 -92.3 139.6 29.8 68.9 48.5 91 91 A K - 0 0 129 -2,-0.2 2,-1.5 32,-0.1 3,-0.1 -0.684 23.7-111.4-105.1 157.3 32.8 66.6 49.1 92 92 A H + 0 0 0 -2,-0.2 27,-1.0 27,-0.2 31,-0.1 -0.697 52.8 161.7 -82.8 79.1 33.1 63.1 50.7 93 93 A T - 0 0 84 -2,-1.5 25,-0.2 25,-0.2 -1,-0.2 0.581 51.6 -46.6 -86.6 -12.8 35.1 64.7 53.6 94 94 A G S > S- 0 0 9 23,-0.3 3,-1.5 -3,-0.1 23,-0.3 -0.994 86.2 -17.8 169.5-174.0 34.7 61.9 56.2 95 95 A P T 3 S+ 0 0 76 0, 0.0 21,-0.3 0, 0.0 41,-0.1 -0.265 115.1 33.0 -58.3 140.7 32.5 59.3 58.1 96 96 A G T 3 S+ 0 0 2 19,-2.9 36,-2.1 1,-0.3 2,-0.1 0.185 75.8 139.6 95.7 -5.8 28.8 60.1 57.9 97 97 A I E < -G 131 0A 10 -3,-1.5 18,-2.8 34,-0.2 2,-0.5 -0.459 41.8-147.9 -70.8 134.1 28.6 61.6 54.5 98 98 A L E +GH 130 114A 0 32,-2.3 31,-2.6 16,-0.2 32,-1.5 -0.958 26.8 168.2-105.1 132.0 25.5 60.5 52.6 99 99 A S E -GH 128 113A 0 14,-2.5 14,-2.7 -2,-0.5 2,-0.4 -0.869 37.0 -98.6-152.9 147.1 25.9 60.2 48.8 100 100 A M E - H 0 112A 0 27,-2.2 12,-0.3 -2,-0.3 2,-0.2 -0.629 29.6-141.7 -72.7 125.1 24.1 58.9 45.8 101 101 A A + 0 0 2 10,-2.0 8,-0.4 -2,-0.4 2,-0.3 -0.568 31.7 173.4 -76.9 156.8 25.3 55.5 44.4 102 102 A N - 0 0 10 464,-0.4 464,-2.7 -2,-0.2 6,-0.1 -0.966 44.7-133.9-161.4 159.5 25.3 55.4 40.6 103 103 A A S S- 0 0 33 1,-0.4 5,-0.0 -2,-0.3 -2,-0.0 0.091 86.1 -44.5-104.7 33.8 26.2 53.4 37.6 104 104 A G S > S- 0 0 23 21,-0.2 3,-0.7 459,-0.1 -1,-0.4 -0.809 98.9 -21.1 125.1 173.6 27.9 56.3 35.8 105 105 A P T 3 S+ 0 0 106 0, 0.0 21,-0.1 0, 0.0 -21,-0.0 -0.265 123.5 5.6 -56.8 146.3 27.0 59.9 35.1 106 106 A N T 3 S+ 0 0 90 1,-0.1 -22,-0.1 -4,-0.0 -4,-0.0 0.884 92.2 115.3 49.9 48.0 23.3 61.0 35.4 107 107 A T < + 0 0 44 -3,-0.7 2,-0.3 -25,-0.1 -4,-0.2 -0.075 31.8 152.3-133.5 38.3 21.9 57.7 36.6 108 108 A N B +I 83 0B 0 -25,-2.0 -25,-2.2 1,-0.1 -31,-0.2 -0.476 6.5 148.9 -68.8 124.1 20.7 58.6 40.1 109 109 A G - 0 0 4 -8,-0.4 -31,-0.2 2,-0.3 -1,-0.1 0.297 68.8 -58.6-115.5-102.4 17.8 56.4 41.3 110 110 A S S S+ 0 0 1 -36,-0.2 2,-0.1 -33,-0.1 -35,-0.1 0.491 94.0 111.9-126.3 -12.1 17.3 55.5 45.0 111 111 A Q + 0 0 8 -37,-0.2 -10,-2.0 -10,-0.1 2,-0.3 -0.435 40.8 164.9 -75.3 136.7 20.6 53.7 45.9 112 112 A F E -FH 64 100A 0 -48,-1.8 -48,-2.2 -12,-0.3 2,-0.3 -0.897 21.8-144.8-143.6 165.1 22.7 55.6 48.3 113 113 A F E -FH 63 99A 0 -14,-2.7 -14,-2.5 -2,-0.3 2,-0.5 -0.971 8.1-141.9-145.6 149.4 25.7 55.1 50.6 114 114 A I E -FH 62 98A 2 -52,-2.0 -52,-2.0 -2,-0.3 -16,-0.2 -0.987 27.5-132.8-111.6 115.2 26.9 56.3 54.0 115 115 A C E -F 61 0A 0 -18,-2.8 -19,-2.9 -2,-0.5 -54,-0.3 -0.450 19.3-172.6 -69.1 139.2 30.6 56.8 54.1 116 116 A T S S+ 0 0 17 -56,-2.5 2,-0.3 -21,-0.3 -55,-0.2 0.240 75.2 19.0-112.0 8.1 32.6 55.4 57.0 117 117 A A S S- 0 0 30 -57,-0.6 2,-0.3 -23,-0.3 -23,-0.3 -0.940 103.2 -70.2-154.2 173.0 35.9 57.1 56.2 118 118 A K - 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0 0 19 -6,-0.1 3,-2.2 1,-0.1 4,-0.3 -0.512 53.8-103.7 -89.2 154.9 44.0 36.1 2.4 511 34 D P T > S+ 0 0 42 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.824 114.0 70.5 -56.2 -23.8 42.7 33.7 5.0 512 35 D E T 3> S+ 0 0 99 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.701 82.2 75.0 -71.6 -12.5 46.2 32.9 6.4 513 36 D V H <> S+ 0 0 1 -3,-2.2 4,-2.5 1,-0.2 -1,-0.3 0.771 86.0 64.0 -63.9 -31.5 46.3 36.4 7.8 514 37 D I H <> S+ 0 0 22 -3,-1.8 4,-1.9 -4,-0.3 -1,-0.2 0.957 104.7 39.8 -62.7 -52.3 44.0 35.5 10.6 515 38 D P H > S+ 0 0 75 0, 0.0 4,-3.4 0, 0.0 -2,-0.2 0.917 114.4 55.6 -63.6 -30.5 46.1 32.9 12.4 516 39 D M H X S+ 0 0 66 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.934 105.1 53.2 -65.8 -40.5 49.2 35.1 11.8 517 40 D F H < S+ 0 0 0 -4,-2.5 4,-0.2 1,-0.2 -1,-0.2 0.920 113.0 42.8 -58.2 -48.2 47.4 37.9 13.6 518 41 D S H >< S+ 0 0 41 -4,-1.9 3,-1.3 2,-0.2 -2,-0.2 0.924 111.6 55.5 -66.4 -41.0 46.7 35.8 16.5 519 42 D A H >< S+ 0 0 59 -4,-3.4 3,-0.7 1,-0.3 -2,-0.2 0.929 113.6 40.9 -61.8 -31.7 50.2 34.3 16.4 520 43 D L T 3< S+ 0 0 40 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.262 105.9 63.9 -98.3 4.2 51.8 37.8 16.6 521 44 D S T X + 0 0 2 -3,-1.3 3,-2.5 -4,-0.2 -1,-0.2 0.129 63.4 150.8-117.2 22.9 49.5 39.4 19.2 522 45 D E T < S- 0 0 128 -3,-0.7 -3,-0.0 1,-0.3 -4,-0.0 -0.294 80.0 -3.8 -60.8 122.6 50.2 37.1 22.2 523 46 D G T 3 S+ 0 0 17 1,-0.2 -44,-2.5 -45,-0.1 -1,-0.3 0.529 94.5 164.8 61.9 17.1 49.6 39.1 25.4 524 47 D A < - 0 0 4 -3,-2.5 -1,-0.2 -46,-0.2 84,-0.1 -0.278 32.8-136.6 -63.0 137.2 48.9 42.3 23.4 525 48 D T > - 0 0 0 1,-0.1 4,-2.2 79,-0.1 5,-0.2 -0.531 32.1-104.8 -77.4 157.8 47.2 45.2 25.1 526 49 D P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.869 125.3 54.7 -51.5 -39.0 44.4 47.0 23.2 527 50 D Q H > S+ 0 0 72 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.928 107.5 49.9 -61.8 -42.4 46.9 49.8 22.5 528 51 D D H > S+ 0 0 11 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 110.5 48.9 -55.8 -44.3 49.3 47.3 21.1 529 52 D L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.902 110.1 52.1 -63.5 -35.5 46.5 45.8 18.9 530 53 D N H X S+ 0 0 16 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.904 108.8 50.1 -67.6 -48.0 45.6 49.3 17.7 531 54 D T H X S+ 0 0 41 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.913 110.1 51.4 -57.7 -47.1 49.2 50.1 16.8 532 55 D M H < S+ 0 0 9 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.913 116.6 38.6 -54.2 -44.8 49.3 46.8 14.8 533 56 D L H >< S+ 0 0 8 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.884 113.9 54.9 -75.0 -34.9 46.2 47.6 12.9 534 57 D N H 3< S+ 0 0 105 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.711 101.1 59.0 -77.8 -21.9 46.9 51.4 12.5 535 58 D T T 3< S+ 0 0 54 -4,-1.7 2,-1.1 -5,-0.2 -1,-0.3 0.393 71.1 112.7 -79.5 -9.4 50.3 50.9 10.9 536 59 D V < - 0 0 9 -3,-1.1 2,-0.1 -4,-0.2 7,-0.1 -0.643 66.1-141.9 -70.0 102.0 49.0 48.8 8.0 537 60 D G + 0 0 61 -2,-1.1 2,-0.1 -36,-0.0 -2,-0.1 -0.405 63.5 2.8 -61.1 138.8 49.7 51.3 5.1 538 61 D G S S+ 0 0 40 -2,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.468 84.0 96.3 84.4-166.7 47.1 51.3 2.5 539 62 D H > + 0 0 73 1,-0.1 4,-2.2 -2,-0.1 5,-0.2 0.795 42.7 160.5 51.9 38.1 43.9 49.3 2.6 540 63 D Q H > + 0 0 149 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.817 69.3 54.1 -60.2 -38.5 42.0 52.2 4.0 541 64 D A H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 111.4 44.7 -61.6 -47.2 38.7 50.7 3.0 542 65 D A H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.879 111.0 52.7 -54.9 -51.7 39.4 47.5 4.8 543 66 D M H X S+ 0 0 25 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.890 111.3 47.8 -58.2 -33.7 40.7 49.2 7.9 544 67 D Q H X S+ 0 0 104 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.869 109.5 52.0 -82.0 -28.9 37.6 51.3 8.1 545 68 D M H X S+ 0 0 44 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.860 109.8 51.1 -67.8 -32.5 35.4 48.2 7.6 546 69 D L H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.908 105.9 54.9 -66.9 -44.5 37.3 46.6 10.5 547 70 D K H X S+ 0 0 86 -4,-1.9 4,-3.5 1,-0.2 5,-0.2 0.936 106.6 51.6 -53.0 -45.5 36.6 49.7 12.6 548 71 D E H X S+ 0 0 115 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.913 108.6 49.2 -63.7 -40.8 33.0 49.4 12.0 549 72 D T H X S+ 0 0 19 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.908 115.2 46.3 -61.0 -43.0 32.9 45.7 13.1 550 73 D I H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.933 110.8 49.3 -63.6 -49.4 34.8 46.6 16.1 551 74 D N H X S+ 0 0 86 -4,-3.5 4,-1.6 1,-0.2 -1,-0.2 0.868 113.1 50.4 -65.3 -26.9 32.7 49.6 17.0 552 75 D E H X S+ 0 0 145 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.881 109.0 48.9 -70.0 -52.1 29.6 47.4 16.6 553 76 D E H X S+ 0 0 68 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.803 110.5 52.7 -56.8 -39.1 30.9 44.7 18.8 554 77 D A H X S+ 0 0 10 -4,-2.4 4,-2.0 2,-0.2 24,-0.3 0.890 108.8 48.9 -63.2 -40.7 31.8 47.3 21.4 555 78 D A H X S+ 0 0 59 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.863 111.9 49.9 -67.8 -42.0 28.3 48.7 21.4 556 79 D E H X S+ 0 0 79 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.956 106.9 52.5 -62.2 -49.0 26.9 45.3 21.7 557 80 D W H X S+ 0 0 54 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.913 110.4 50.6 -45.9 -48.3 29.1 44.3 24.6 558 81 D D H >< S+ 0 0 50 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.921 108.9 50.2 -59.0 -39.5 27.8 47.5 26.3 559 82 D R H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.800 114.7 44.9 -74.9 -29.7 24.2 46.7 25.7 560 83 D T H 3< S+ 0 0 82 -4,-2.1 -1,-0.3 -3,-0.2 -2,-0.2 0.515 111.2 55.3 -88.4 -9.9 24.8 43.1 27.1 561 84 D H S << S- 0 0 70 -4,-1.1 -1,-0.2 -3,-0.7 3,-0.1 -0.859 75.9-150.1-125.6 91.4 26.8 44.2 30.3 562 85 D P - 0 0 111 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.469 37.6 -97.9 -60.2 135.8 25.0 46.8 32.5 563 86 D P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 -459,-0.1 -0.290 43.3-107.8 -52.1 140.9 27.7 49.0 34.2 564 87 D A - 0 0 71 1,-0.1 2,-0.4 -3,-0.1 11,-0.1 -0.376 39.2 -98.5 -74.2 145.1 28.4 47.8 37.7 565 88 D M - 0 0 54 -3,-0.1 -462,-0.2 2,-0.1 -1,-0.1 -0.597 51.3-133.4 -67.9 130.6 27.2 49.9 40.5 566 89 D G + 0 0 9 -464,-2.7 -464,-0.4 -2,-0.4 2,-0.2 -0.580 69.9 115.2 -85.1 175.0 29.5 52.4 42.2 567 90 D P - 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -506,-0.1 0.110 67.9-130.2 -78.3 145.0 30.9 53.7 44.4 568 91 D L - 0 0 50 -2,-0.2 3,-0.1 -447,-0.1 -2,-0.1 -0.542 19.4-122.0 -62.1 125.9 34.2 52.3 43.5 569 92 D P > - 0 0 13 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.215 41.8 -82.4 -65.2 152.2 36.1 50.6 46.5 570 93 D P T 3 S+ 0 0 72 0, 0.0 3,-0.1 0, 0.0 -451,-0.0 -0.301 117.1 20.7 -57.5 122.3 39.7 52.0 47.4 571 94 D G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -3,-0.1 -3,-0.0 0.194 97.4 121.9 99.7 -9.5 42.3 50.5 45.2 572 95 D Q < - 0 0 97 -3,-1.8 2,-0.3 1,-0.0 -1,-0.3 -0.583 54.4-139.6 -96.3 145.7 40.0 49.5 42.4 573 96 D I - 0 0 53 -2,-0.3 -1,-0.0 1,-0.1 17,-0.0 -0.690 37.2 -93.0 -93.7 146.4 40.1 50.6 38.8 574 97 D R - 0 0 81 -2,-0.3 -1,-0.1 1,-0.1 0, 0.0 -0.152 48.2 -99.5 -50.4 141.2 36.9 51.5 37.0 575 98 D E - 0 0 104 -11,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.543 39.8-112.2 -75.0 143.1 35.3 48.7 35.1 576 99 D P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.515 28.4-160.8 -72.9 130.6 36.0 48.7 31.3 577 100 D R > - 0 0 61 -2,-0.2 4,-2.4 -14,-0.0 3,-0.4 -0.318 44.4 -82.2 -90.6-175.1 33.2 49.3 28.8 578 101 D G H > S+ 0 0 0 -24,-0.3 4,-2.0 1,-0.3 5,-0.2 0.920 131.4 49.6 -60.2 -48.1 33.2 48.4 25.2 579 102 D S H 4>S+ 0 0 42 1,-0.2 5,-2.3 2,-0.2 6,-1.6 0.735 109.9 53.1 -64.0 -26.4 35.2 51.5 24.2 580 103 D D H >45S+ 0 0 2 -3,-0.4 3,-1.1 5,-0.2 -1,-0.2 0.889 107.1 50.6 -71.6 -48.0 37.7 50.8 26.9 581 104 D I H 3<5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 26,-0.2 0.870 110.2 48.9 -59.4 -40.0 38.2 47.2 25.7 582 105 D A T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.426 114.3-121.0 -79.6 -1.4 38.8 48.4 22.1 583 106 D G T < 5S+ 0 0 9 -3,-1.1 -3,-0.2 -5,-0.2 -2,-0.1 0.724 81.4 116.7 73.5 17.9 41.3 51.0 23.5 584 107 D T S - 0 0 53 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.412 26.2-114.8 -88.1 161.9 44.8 54.6 28.7 588 111 D L H > S+ 0 0 70 2,-0.2 4,-3.2 1,-0.2 5,-0.1 0.882 120.0 56.3 -62.4 -37.7 47.7 52.2 28.5 589 112 D Q H > S+ 0 0 149 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.887 109.3 46.6 -59.1 -50.5 48.0 52.5 32.3 590 113 D E H > S+ 0 0 49 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 112.9 47.3 -53.3 -44.9 44.4 51.4 32.5 591 114 D Q H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.899 112.3 51.3 -70.0 -37.9 44.8 48.6 30.2 592 115 D I H X S+ 0 0 35 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.949 109.7 50.2 -59.6 -52.5 47.9 47.6 32.1 593 116 D G H X S+ 0 0 15 -4,-3.1 4,-0.6 1,-0.2 3,-0.5 0.846 111.8 47.0 -56.3 -39.9 46.0 47.7 35.3 594 117 D W H >< S+ 0 0 1 -4,-2.4 7,-3.6 1,-0.2 3,-0.7 0.922 114.9 44.5 -66.9 -48.6 43.1 45.5 34.0 595 118 D M H 3< S+ 0 0 19 -4,-2.3 -1,-0.2 5,-0.2 -2,-0.2 0.468 118.2 44.0 -69.4 -18.5 45.3 42.9 32.4 596 119 D T H 3< S+ 0 0 48 -4,-0.8 -1,-0.2 -3,-0.5 -109,-0.2 0.344 90.5 112.4-105.8 -0.5 47.7 42.7 35.4 597 120 D H S << S- 0 0 73 -3,-0.7 -3,-0.1 -4,-0.6 -4,-0.0 -0.126 82.2 -79.9 -66.1 164.5 44.9 42.7 38.1 598 121 D N S S+ 0 0 148 1,-0.3 -1,-0.1 2,-0.1 -3,-0.0 -0.926 128.2 14.6-119.0 103.2 44.2 39.7 40.2 599 122 D P S S- 0 0 96 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.712 112.8-111.9 -83.6 166.0 42.6 38.0 38.5 600 123 D P - 0 0 80 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.126 13.2-139.8 -60.4 141.2 43.2 39.7 35.1 601 124 D I - 0 0 32 -7,-3.6 2,-2.1 -8,-0.1 3,-0.3 -0.920 26.4-138.8-100.5 112.5 40.4 41.4 33.5 602 125 D P > + 0 0 62 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.293 47.1 148.2 -84.9 62.3 41.2 40.3 30.0 603 126 D V H > S+ 0 0 0 -2,-2.1 4,-2.2 1,-0.2 5,-0.3 0.798 73.7 55.4 -63.3 -35.2 40.6 43.3 27.8 604 127 D G H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.930 109.8 44.2 -64.4 -45.0 43.3 42.3 25.3 605 128 D E H > S+ 0 0 86 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.872 113.6 51.3 -64.9 -39.5 41.8 38.9 24.6 606 129 D I H X S+ 0 0 12 -4,-2.1 4,-1.6 2,-0.2 3,-0.3 0.938 112.3 45.9 -59.6 -51.3 38.2 40.3 24.4 607 130 D Y H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.3 5,-0.2 0.863 107.7 58.5 -59.0 -43.6 39.3 42.9 21.8 608 131 D K H X S+ 0 0 11 -4,-1.9 4,-2.5 -5,-0.3 -1,-0.3 0.882 102.0 52.8 -56.9 -39.0 41.2 40.4 19.9 609 132 D R H X S+ 0 0 83 -4,-1.5 4,-2.1 -3,-0.3 -1,-0.2 0.895 109.8 49.4 -61.1 -43.2 38.1 38.3 19.4 610 133 D W H X S+ 0 0 11 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.920 110.2 50.5 -59.9 -43.4 36.3 41.3 18.0 611 134 D I H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.952 108.0 53.0 -62.9 -44.3 39.2 42.1 15.7 612 135 D I H X S+ 0 0 29 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.890 106.6 53.1 -56.7 -43.1 39.2 38.5 14.4 613 136 D L H X S+ 0 0 40 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.940 110.0 47.6 -56.1 -42.5 35.6 38.8 13.6 614 137 D G H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.898 108.9 54.0 -67.7 -36.9 36.3 41.9 11.6 615 138 D L H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.910 104.1 56.2 -62.5 -41.5 39.2 40.1 9.8 616 139 D N H X S+ 0 0 9 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.879 107.2 48.7 -52.3 -46.0 36.8 37.4 8.9 617 140 D K H X S+ 0 0 73 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.920 112.6 48.0 -64.2 -42.4 34.6 39.9 7.2 618 141 D I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 110.6 50.6 -62.9 -43.7 37.5 41.5 5.4 619 142 D V H X S+ 0 0 0 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.894 111.1 49.6 -66.4 -36.3 38.8 38.1 4.2 620 143 D R H < S+ 0 0 59 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.855 111.6 48.9 -70.4 -33.3 35.3 37.3 2.9 621 144 D M H < S+ 0 0 105 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.937 123.6 29.2 -61.2 -49.2 35.0 40.6 1.0 622 145 D Y H < 0 0 118 -4,-2.3 -2,-0.2 -113,-0.1 -1,-0.2 0.387 360.0 360.0-103.5 -6.9 38.4 40.4 -0.6 623 146 D S < 0 0 99 -4,-1.4 -113,-0.1 -5,-0.2 -114,-0.0 -0.869 360.0 360.0-134.1 360.0 39.1 36.7 -1.1