==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-FEB-07 2JID . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.HENNIG,M.STIHLE,T.LUEBBERS,R.THOMA . 1456 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 59333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 965 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 370 25.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 14 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 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 . 147 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 142 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.2 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 3 1 6 3 2 0 2 0 1 1 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 3 2 1 5 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 . 11 8 14 8 10 8 5 5 1 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 . 4 0 12 2 2 0 0 0 0 0 0 0 0 0 0 0 1 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 39 A S 0 0 68 0, 0.0 2,-1.7 0, 0.0 469,-0.1 0.000 360.0 360.0 360.0 34.9 82.2 37.8 22.8 2 40 A R + 0 0 194 467,-0.1 467,-0.1 468,-0.0 466,-0.1 -0.455 360.0 73.2 62.5 -70.9 84.6 39.6 25.3 3 41 A K E S-a 469 0A 89 -2,-1.7 467,-2.5 465,-1.0 2,-0.3 -0.354 72.4-143.1 -67.8 157.1 82.6 42.8 26.3 4 42 A T E -a 470 0A 39 465,-0.2 2,-0.5 -2,-0.0 467,-0.1 -0.899 22.5-103.9-120.2 147.6 79.6 42.4 28.7 5 43 A Y - 0 0 1 465,-0.5 527,-0.5 -2,-0.3 2,-0.2 -0.660 54.7-153.3 -72.3 123.9 76.2 44.3 28.7 6 44 A T > - 0 0 39 -2,-0.5 4,-2.4 525,-0.1 5,-0.2 -0.626 30.2-119.1-115.9 150.3 76.7 46.7 31.6 7 45 A L H > S+ 0 0 29 1,-0.2 4,-2.7 -2,-0.2 5,-0.3 0.949 120.7 47.4 -47.6 -53.4 74.7 48.6 34.3 8 46 A T H > S+ 0 0 89 1,-0.2 4,-3.8 2,-0.2 5,-0.2 0.924 108.2 58.7 -53.2 -42.2 76.0 51.9 32.8 9 47 A D H >>S+ 0 0 9 2,-0.2 5,-1.4 1,-0.2 4,-0.9 0.941 110.4 40.4 -50.4 -54.0 75.0 50.5 29.4 10 48 A Y H ><5S+ 0 0 32 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.949 121.4 42.9 -59.6 -51.5 71.4 50.1 30.5 11 49 A L H 3<5S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.813 123.0 36.0 -66.6 -34.4 71.4 53.4 32.4 12 50 A K H 3<5S- 0 0 122 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.321 105.6-122.8-109.7 6.4 73.2 55.5 29.8 13 51 A N T <<5 + 0 0 77 -4,-0.9 3,-0.3 -3,-0.6 -3,-0.2 0.831 42.6 168.9 57.0 44.4 71.7 53.8 26.7 14 52 A T S - C 0 37B 90 3,-3.2 3,-2.5 -2,-0.5 2,-1.8 -0.933 69.2 -52.5-111.6 107.3 64.6 62.3 9.8 35 73 A E T 3 S- 0 0 147 -2,-0.6 -2,-0.1 1,-0.3 3,-0.0 -0.521 126.4 -26.8 55.4 -84.4 66.7 63.7 12.7 36 74 A N T 3 S+ 0 0 112 -2,-1.8 -1,-0.3 -3,-0.0 2,-0.2 0.464 117.8 98.9-133.6 -8.1 65.0 67.1 12.4 37 75 A N E < -C 34 0B 36 -3,-2.5 -3,-3.2 16,-0.1 2,-0.6 -0.597 66.8-137.6 -68.8 140.7 63.9 67.2 8.8 38 76 A I E -CD 33 52B 10 14,-3.1 14,-1.9 -5,-0.3 13,-1.9 -0.908 26.9-168.5-102.8 111.6 60.2 66.3 8.2 39 77 A L E -CD 32 50B 17 -7,-3.9 -7,-2.2 -2,-0.6 2,-0.5 -0.813 17.5-148.8-108.9 134.6 59.9 64.1 5.1 40 78 A V E -CD 31 49B 20 9,-1.8 9,-1.5 -2,-0.4 2,-0.3 -0.882 19.3-164.8 -97.0 128.3 56.9 63.0 3.1 41 79 A F E -CD 30 48B 28 -11,-2.6 -11,-1.6 -2,-0.5 2,-0.7 -0.860 19.1-132.4-109.2 143.6 57.2 59.5 1.4 42 80 A N E > -C 29 0B 25 5,-2.6 4,-2.1 -2,-0.3 -13,-0.2 -0.885 14.9-155.4 -91.2 116.6 55.1 58.0 -1.3 43 81 A A T 4 S+ 0 0 0 -15,-0.9 -1,-0.1 -2,-0.7 -14,-0.1 0.869 88.6 50.8 -62.2 -34.8 54.2 54.5 -0.2 44 82 A E T 4 S+ 0 0 74 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.920 125.8 20.9 -73.1 -43.6 53.7 53.2 -3.7 45 83 A Y T 4 S- 0 0 173 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.452 91.9-131.7-105.5 -2.3 56.9 54.4 -5.3 46 84 A G < + 0 0 21 -4,-2.1 2,-0.1 1,-0.2 -3,-0.1 0.348 62.4 134.5 68.0 -9.4 59.1 54.9 -2.3 47 85 A N + 0 0 101 -5,-0.1 -5,-2.6 -6,-0.1 -1,-0.2 -0.458 30.3 171.4 -76.2 149.0 60.2 58.3 -3.6 48 86 A S E -D 41 0B 56 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.665 16.1-157.7-141.0-174.3 60.1 61.1 -1.0 49 87 A S E -D 40 0B 71 -9,-1.5 -9,-1.8 -2,-0.2 2,-0.9 -0.979 36.9 -81.3-166.5 164.6 61.0 64.7 -0.2 50 88 A V E +D 39 0B 66 -2,-0.3 -11,-0.2 -11,-0.2 3,-0.2 -0.646 41.0 170.7 -68.5 102.9 61.7 67.5 2.3 51 89 A F E S+ 0 0 73 -13,-1.9 2,-0.3 -2,-0.9 -12,-0.2 0.915 74.7 4.5 -76.2 -50.3 58.3 68.6 3.4 52 90 A L E S-D 38 0B 17 -14,-1.9 -14,-3.1 -3,-0.2 -1,-0.4 -0.997 80.7-125.9-136.5 135.9 59.7 70.8 6.2 53 91 A E > - 0 0 100 -2,-0.3 3,-0.7 -16,-0.2 4,-0.3 -0.522 13.9-128.9 -81.9 150.9 63.4 71.6 7.0 54 92 A N T 3 S+ 0 0 86 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.646 113.1 50.9 -62.4 -17.3 65.1 71.0 10.4 55 93 A S T > S+ 0 0 51 1,-0.1 3,-0.9 2,-0.0 -1,-0.2 0.602 80.2 95.3 -95.8 -18.7 66.3 74.6 10.0 56 94 A T T < S+ 0 0 51 -3,-0.7 2,-0.3 1,-0.3 3,-0.2 0.757 88.1 43.4 -51.6 -32.6 62.9 76.3 9.2 57 95 A F T 3 S+ 0 0 42 -4,-0.3 3,-0.4 -3,-0.2 -1,-0.3 -0.453 73.0 117.4-115.4 58.6 62.2 77.3 12.9 58 96 A D S < S+ 0 0 116 -3,-0.9 2,-0.6 -2,-0.3 3,-0.5 0.849 77.3 46.7 -93.2 -39.9 65.6 78.7 14.1 59 97 A E S S+ 0 0 193 -3,-0.2 -1,-0.2 1,-0.2 -3,-0.0 -0.420 84.0 104.2 -96.4 57.3 64.5 82.3 14.8 60 98 A F S S- 0 0 28 -2,-0.6 -1,-0.2 -3,-0.4 -2,-0.1 0.716 75.8-136.6-106.1 -36.9 61.4 81.2 16.7 61 99 A G S S+ 0 0 62 -3,-0.5 2,-0.4 -4,-0.1 -2,-0.1 0.321 71.1 72.4 101.0 -6.8 62.5 81.8 20.2 62 100 A H S S- 0 0 89 18,-0.0 2,-0.2 19,-0.0 -1,-0.1 -0.993 88.5-102.5-142.7 132.6 61.3 78.7 22.2 63 101 A S - 0 0 115 -2,-0.4 18,-0.3 1,-0.1 2,-0.2 -0.330 44.1-127.2 -54.1 114.7 62.7 75.2 22.1 64 102 A I - 0 0 71 -2,-0.2 16,-0.2 -7,-0.2 3,-0.1 -0.513 28.6-179.0 -72.8 134.9 60.1 73.3 19.9 65 103 A N - 0 0 82 14,-2.6 2,-0.3 1,-0.4 15,-0.2 0.721 60.3 -12.3-108.8 -31.5 58.7 70.2 21.5 66 104 A D E -E 79 0C 62 13,-0.8 13,-2.5 2,-0.0 -1,-0.4 -0.972 53.5-141.1-162.8 160.6 56.3 68.7 18.9 67 105 A Y E -E 78 0C 26 -2,-0.3 11,-0.2 11,-0.2 2,-0.1 -0.716 6.8-171.1-110.2 168.8 54.6 69.5 15.6 68 106 A S E -E 77 0C 46 9,-0.9 9,-1.3 -2,-0.3 2,-0.2 -0.590 14.4-155.3-157.3 104.1 51.1 68.7 14.3 69 107 A I E -E 76 0C 21 7,-0.2 7,-0.3 -2,-0.1 50,-0.1 -0.502 26.8-107.6 -79.2 142.3 50.5 69.5 10.7 70 108 A S > - 0 0 3 5,-3.8 2,-2.2 -2,-0.2 3,-1.8 -0.352 34.4-102.5 -65.6 150.1 46.9 70.1 9.7 71 109 A P T 3 S+ 0 0 57 0, 0.0 52,-1.3 0, 0.0 -1,-0.1 -0.313 122.5 46.5 -70.7 54.4 45.1 67.3 7.6 72 110 A D T 3 S- 0 0 60 -2,-2.2 -2,-0.1 3,-0.2 52,-0.1 0.068 111.7-116.4-175.9 22.1 45.5 69.3 4.4 73 111 A G S < S+ 0 0 32 -3,-1.8 3,-0.1 1,-0.1 51,-0.1 0.584 84.3 118.8 41.8 19.3 49.2 70.2 4.9 74 112 A Q S S+ 0 0 60 1,-0.2 25,-2.2 49,-0.2 26,-0.5 0.825 72.6 20.1 -82.0 -36.9 48.1 73.8 5.1 75 113 A F E - F 0 98C 11 23,-0.2 -5,-3.8 24,-0.1 2,-0.4 -0.982 64.5-146.4-137.4 146.3 49.2 74.7 8.6 76 114 A I E -EF 69 97C 0 21,-2.4 21,-2.7 -2,-0.3 2,-0.4 -0.935 14.5-138.2-116.0 140.7 51.6 73.3 11.1 77 115 A L E -EF 68 96C 7 -9,-1.3 -9,-0.9 -2,-0.4 2,-0.6 -0.828 12.8-154.2-101.4 130.1 51.1 73.4 14.9 78 116 A L E -EF 67 95C 3 17,-3.2 17,-1.6 -2,-0.4 2,-0.7 -0.918 3.4-159.8-115.4 115.6 54.0 74.2 17.2 79 117 A E E +EF 66 94C 16 -13,-2.5 -14,-2.6 -2,-0.6 -13,-0.8 -0.789 25.2 152.0 -99.1 112.6 54.1 72.9 20.8 80 118 A Y E + F 0 93C 12 13,-3.7 13,-2.5 -2,-0.7 3,-0.2 -0.567 46.4 45.6-126.7-171.8 56.3 74.7 23.3 81 119 A N E S- 0 0 85 -18,-0.3 2,-0.5 11,-0.2 -1,-0.2 0.809 73.8-169.8 42.4 39.9 56.5 75.4 27.0 82 120 A Y E + 0 0 101 -3,-0.2 2,-0.5 10,-0.1 10,-0.2 -0.453 12.9 179.4 -66.3 113.2 55.7 71.7 27.7 83 121 A V E - F 0 91C 92 8,-3.5 8,-2.9 -2,-0.5 2,-0.1 -0.973 22.5-136.0-110.7 120.3 54.9 71.2 31.4 84 122 A K E + F 0 90C 106 -2,-0.5 6,-0.3 6,-0.2 3,-0.1 -0.367 24.4 176.2 -70.9 151.4 54.0 67.5 32.2 85 123 A Q - 0 0 73 4,-1.9 5,-0.1 1,-0.5 -1,-0.1 0.175 54.2 -25.3-114.2-114.2 51.1 66.5 34.5 86 124 A W S S- 0 0 41 -2,-0.1 -1,-0.5 585,-0.0 87,-0.0 0.215 99.9 -51.6 -81.0-150.8 50.0 62.8 35.1 87 125 A R S S- 0 0 136 1,-0.1 86,-0.1 -3,-0.1 80,-0.0 0.758 132.8 -0.6 -63.0 -30.8 50.7 59.9 32.7 88 126 A H S S+ 0 0 68 84,-0.1 -1,-0.1 -4,-0.0 85,-0.1 0.643 109.7 92.5-125.1 -43.4 49.2 61.6 29.6 89 127 A S + 0 0 1 -5,-0.1 -4,-1.9 83,-0.1 2,-0.3 -0.060 45.7 146.4 -47.3 150.7 47.9 65.0 30.6 90 128 A Y E -F 84 0C 35 25,-0.5 2,-0.4 -6,-0.3 -6,-0.2 -0.955 39.5-116.8-167.2 174.7 50.2 68.1 30.2 91 129 A T E +F 83 0C 36 -8,-2.9 -8,-3.5 -2,-0.3 2,-0.3 -0.977 34.3 165.4-122.3 146.1 50.2 71.8 29.5 92 130 A A E -H 114 0D 1 22,-1.5 22,-2.1 -2,-0.4 2,-0.4 -0.955 32.5-121.7-152.2 160.0 51.8 73.5 26.5 93 131 A S E -F 80 0C 3 -13,-2.5 -13,-3.7 -2,-0.3 2,-0.3 -0.852 34.5-154.7-108.0 147.2 52.0 76.8 24.6 94 132 A Y E -F 79 0C 7 16,-0.4 2,-0.3 -2,-0.4 -15,-0.2 -0.892 18.5-170.5-129.3 150.2 51.2 76.7 20.9 95 133 A D E -F 78 0C 11 -17,-1.6 -17,-3.2 -2,-0.3 2,-0.6 -0.997 16.1-143.9-133.8 144.7 51.8 78.5 17.6 96 134 A I E -F 77 0C 7 -2,-0.3 9,-2.9 9,-0.3 2,-0.4 -0.930 16.8-164.8-104.9 119.1 50.2 78.1 14.2 97 135 A Y E -FG 76 104C 18 -21,-2.7 -21,-2.4 -2,-0.6 2,-0.4 -0.884 15.9-133.0-105.5 130.7 52.6 78.5 11.2 98 136 A D E > -FG 75 103C 19 5,-3.5 5,-1.1 -2,-0.4 3,-0.3 -0.712 10.9-162.9 -85.5 131.2 51.2 79.0 7.7 99 137 A L T 5S+ 0 0 47 -25,-2.2 -24,-0.1 -2,-0.4 -1,-0.1 0.676 86.5 60.9 -91.3 -20.4 52.9 76.8 5.1 100 138 A N T 5S+ 0 0 126 -26,-0.5 2,-0.3 3,-0.1 -1,-0.2 0.446 115.2 36.2 -83.7 -3.4 51.7 78.8 2.0 101 139 A K T 5S- 0 0 125 -3,-0.3 2,-1.1 2,-0.2 0, 0.0 -0.883 92.9-110.6-132.3 166.8 53.5 81.8 3.4 102 140 A R T 5S+ 0 0 231 -2,-0.3 2,-0.4 2,-0.0 -3,-0.1 -0.411 82.5 119.7 -90.8 62.7 56.8 82.1 5.3 103 141 A Q E < -G 98 0C 94 -5,-1.1 -5,-3.5 -2,-1.1 2,-0.2 -0.970 60.2-152.7-152.0 122.1 54.7 83.0 8.4 104 142 A L E -G 97 0C 74 -2,-0.4 2,-0.4 -7,-0.3 -7,-0.3 -0.603 47.6-107.8 -71.9 145.6 53.6 82.3 11.9 105 143 A I - 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0 0 5 -2,-0.7 3,-1.8 1,-0.3 22,-0.1 0.038 50.4 -7.9-108.0-149.1 49.8 32.4 35.8 543 581 A R T 3 S+ 0 0 60 1,-0.2 -1,-0.3 20,-0.2 10,-0.2 -0.095 127.2 22.3 -52.9 139.5 46.3 32.9 37.1 544 582 A G T 3 S+ 0 0 0 8,-2.5 -31,-3.8 1,-0.3 -30,-0.4 0.399 91.9 130.9 85.2 -4.8 44.6 36.3 36.2 545 583 A S < - 0 0 1 -3,-1.8 3,-0.4 -33,-0.2 -1,-0.3 -0.428 52.4-112.8 -80.9 160.0 47.0 36.8 33.2 546 584 A G S S+ 0 0 0 -32,-1.7 -1,-0.1 1,-0.2 -32,-0.1 -0.100 78.1 36.0 -88.1 178.6 45.6 37.8 29.8 547 585 A Y S S+ 0 0 30 1,-0.2 -182,-0.3 -181,-0.1 -1,-0.2 0.473 92.3 86.8 66.3 5.4 45.1 36.5 26.3 548 586 A Q S S- 0 0 25 -3,-0.4 4,-0.2 1,-0.2 3,-0.2 0.167 101.4 -92.9-116.5 11.4 44.5 32.9 27.3 549 587 A G >> - 0 0 3 1,-0.2 3,-1.9 2,-0.1 4,-1.5 0.300 46.7 -67.0 88.7 147.0 40.7 33.3 27.8 550 588 A D H 3> S+ 0 0 14 -208,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.561 118.5 71.3 -42.5 -23.4 38.5 34.0 30.8 551 589 A K H 34 S+ 0 0 182 -3,-0.2 -1,-0.3 -210,-0.2 -2,-0.1 0.922 114.7 26.1 -68.3 -38.9 39.2 30.8 32.7 552 590 A I H X4 S+ 0 0 17 -3,-1.9 -8,-2.5 -4,-0.2 3,-1.6 0.930 125.9 48.9 -79.9 -54.1 42.8 32.0 33.5 553 591 A M H >< S+ 0 0 1 -4,-1.5 3,-0.6 1,-0.3 -3,-0.2 0.867 116.0 41.5 -57.4 -41.1 42.1 35.7 33.3 554 592 A H G >< S+ 0 0 13 -4,-2.4 3,-1.5 1,-0.2 -1,-0.3 0.402 84.4 95.9 -90.1 4.7 39.0 35.7 35.6 555 593 A A G < S+ 0 0 29 -3,-1.6 -1,-0.2 1,-0.3 8,-0.2 0.746 87.0 52.5 -63.3 -17.3 40.4 33.2 38.2 556 594 A I G X S+ 0 0 1 -3,-0.6 3,-2.3 -4,-0.3 -1,-0.3 0.509 78.8 139.4 -97.1 -8.8 41.3 36.3 40.1 557 595 A N T < S- 0 0 45 -3,-1.5 76,-0.2 1,-0.3 75,-0.1 -0.050 82.6 -7.6 -51.8 133.1 37.9 38.0 40.1 558 596 A R T 3 S+ 0 0 101 74,-3.0 -1,-0.3 73,-0.1 75,-0.2 0.684 126.8 85.2 52.4 20.8 36.9 39.7 43.4 559 597 A R X + 0 0 135 -3,-2.3 3,-0.6 73,-0.4 4,-0.4 0.063 53.0 165.2-145.3 36.5 40.0 38.0 44.8 560 598 A L T 3 + 0 0 0 1,-0.2 61,-0.1 2,-0.1 -49,-0.0 -0.019 66.7 36.4 -60.5 160.2 43.3 39.9 44.3 561 599 A G T 3 S+ 0 0 3 1,-0.1 -1,-0.2 4,-0.0 5,-0.1 0.676 106.1 82.7 67.6 19.6 46.4 38.8 46.2 562 600 A T S <> S+ 0 0 28 -3,-0.6 4,-2.2 3,-0.1 5,-0.2 0.640 95.8 8.9-114.0 -88.0 45.4 35.2 45.9 563 601 A F H > S+ 0 0 45 -4,-0.4 4,-2.4 2,-0.2 5,-0.3 0.947 125.3 56.6 -66.7 -45.7 46.0 33.0 42.9 564 602 A E H > S+ 0 0 3 2,-0.2 4,-1.4 3,-0.1 -1,-0.2 0.942 113.7 44.1 -54.1 -45.0 48.3 35.4 41.1 565 603 A V H >> S+ 0 0 4 1,-0.2 3,-1.6 2,-0.2 4,-1.4 0.983 111.9 48.0 -59.2 -77.2 50.4 35.3 44.3 566 604 A E H 3X S+ 0 0 100 -4,-2.2 4,-2.4 1,-0.3 -1,-0.2 0.703 109.7 57.0 -32.1 -34.7 50.5 31.6 45.0 567 605 A D H 3X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 -1,-0.3 0.878 100.4 52.9 -79.9 -37.0 51.3 30.9 41.4 568 606 A Q H < S+ 0 0 2 -4,-2.8 3,-0.6 1,-0.2 6,-0.2 0.873 109.4 57.0 -37.9 -49.3 62.5 26.6 38.7 576 614 A S H 3< S+ 0 0 15 -4,-3.2 5,-0.4 1,-0.2 -1,-0.2 0.951 99.6 56.3 -49.3 -60.5 64.2 25.6 42.0 577 615 A K H 3< S+ 0 0 175 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.816 90.3 96.4 -40.2 -41.4 63.7 21.9 41.2 578 616 A M S X< S- 0 0 57 -4,-1.4 3,-1.6 -3,-0.6 -4,-0.0 -0.277 85.0-122.1 -62.8 138.7 65.6 22.5 37.9 579 617 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.1 -78,-0.1 -3,-0.1 0.527 101.8 56.9 -66.3 -12.8 69.3 21.7 38.0 580 618 A F T 3 S+ 0 0 29 -5,-0.2 -78,-2.7 -79,-0.1 2,-0.5 0.285 89.5 83.3-103.1 9.0 70.7 25.1 37.0 581 619 A V E < -l 502 0P 3 -3,-1.6 2,-0.8 -5,-0.4 5,-0.1 -0.966 67.8-143.7-121.2 124.4 69.1 27.2 39.8 582 620 A D E > - 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0 0 19 -5,-0.5 -4,-0.1 1,-0.2 -3,-0.1 0.746 46.4-147.5 -40.2 -40.9 57.0 30.3 51.4 607 645 A G S S+ 0 0 70 -5,-0.2 -1,-0.2 2,-0.2 -5,-0.0 0.092 76.8 95.1 80.7 -18.3 60.5 29.4 52.6 608 646 A V + 0 0 17 -23,-0.0 2,-0.5 2,-0.0 -22,-0.2 0.608 66.0 69.8 -85.8 -16.2 61.5 29.9 48.9 609 647 A F - 0 0 9 1,-0.2 -22,-0.2 -8,-0.1 -2,-0.2 -0.882 45.6-174.8-114.0 136.5 62.7 33.5 48.8 610 648 A K S S- 0 0 73 -24,-2.6 51,-2.3 -2,-0.5 2,-0.3 0.891 75.1 -22.0 -81.9 -47.7 65.9 34.9 50.3 611 649 A e E -no 587 661P 0 -25,-1.0 -23,-0.7 49,-0.2 -1,-0.3 -0.904 55.9-173.4-154.3 174.0 65.0 38.5 49.3 612 650 A G E -no 588 662P 0 49,-1.5 51,-1.6 -2,-0.3 2,-0.3 -0.937 18.7-134.3-170.5 153.7 63.0 40.8 47.1 613 651 A I E -no 589 663P 0 -25,-1.2 -23,-0.6 -2,-0.3 2,-0.4 -0.884 16.6-164.0-109.7 148.1 62.6 44.4 46.2 614 652 A A E -no 590 664P 0 49,-2.2 51,-1.9 -2,-0.3 2,-0.6 -0.998 7.8-153.4-134.7 132.7 59.1 45.9 45.8 615 653 A V E -no 591 665P 0 -25,-3.3 -23,-1.5 -2,-0.4 -20,-0.3 -0.901 66.8 -30.5-122.2 112.4 58.7 49.3 44.1 616 654 A A S S- 0 0 0 49,-3.4 -1,-0.2 -2,-0.6 -24,-0.2 0.929 90.8-175.2 52.9 51.3 55.9 51.7 44.8 617 655 A P - 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0 0 3 -3,-0.4 4,-0.2 -2,-0.4 -29,-0.2 -0.812 60.2-136.5-108.2 157.5 46.8 43.5 52.7 650 688 A V S >> S+ 0 0 3 -31,-2.9 3,-1.9 -2,-0.3 4,-0.8 0.924 104.0 64.8 -71.6 -44.2 50.5 43.7 52.8 651 689 A M G >4 S+ 0 0 9 -32,-0.5 3,-1.1 1,-0.3 4,-0.2 0.858 93.9 56.8 -41.5 -49.1 50.2 44.8 56.5 652 690 A S G 34 S+ 0 0 77 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.619 106.2 49.7 -72.2 -8.0 48.6 41.6 57.8 653 691 A R G X4 S+ 0 0 60 -3,-1.9 3,-4.1 -4,-0.2 4,-0.3 0.659 76.8 111.9 -96.3 -16.3 51.5 39.4 56.6 654 692 A A G X< + 0 0 4 -3,-1.1 3,-1.8 -4,-0.8 4,-0.2 0.623 65.6 65.2 -29.6 -48.6 54.2 41.7 58.2 655 693 A E G > S+ 0 0 109 1,-0.3 3,-0.9 -4,-0.2 -1,-0.3 0.722 95.2 61.4 -48.0 -27.8 55.2 39.1 60.8 656 694 A N G X S+ 0 0 44 -3,-4.1 3,-2.1 1,-0.2 -1,-0.3 0.689 81.0 76.4 -82.8 -18.2 56.5 36.9 58.0 657 695 A F G X S+ 0 0 3 -3,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.484 73.5 87.7 -67.5 -6.3 59.1 39.3 56.7 658 696 A K G < S+ 0 0 133 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.836 88.7 48.7 -55.1 -32.3 60.9 38.1 59.8 659 697 A Q G < S+ 0 0 94 -3,-2.1 2,-0.3 -57,-0.2 -1,-0.2 0.320 111.8 43.7 -98.6 4.9 62.2 35.3 57.5 660 698 A V S < S- 0 0 16 -3,-1.1 2,-0.5 -4,-0.0 -49,-0.2 -0.893 78.6-106.5-142.6 169.1 63.4 37.3 54.5 661 699 A E E -o 611 0P 69 -51,-2.3 -49,-1.5 -2,-0.3 2,-0.4 -0.925 40.0-168.9-106.4 126.2 65.4 40.4 53.4 662 700 A Y E -o 612 0P 3 -2,-0.5 31,-2.7 29,-0.3 2,-0.5 -0.900 17.3-168.9-122.2 133.9 63.1 43.2 52.1 663 701 A L E -op 613 693P 1 -51,-1.6 -49,-2.2 -2,-0.4 2,-0.5 -0.980 11.6-169.9-120.0 120.6 63.8 46.4 50.2 664 702 A L E -op 614 694P 0 29,-2.3 31,-1.4 -2,-0.5 2,-0.3 -0.940 5.7-178.8-117.6 127.4 60.9 48.8 49.9 665 703 A I E +op 615 695P 0 -51,-1.9 -49,-3.4 -2,-0.5 2,-0.3 -0.925 6.4 164.3-126.6 139.6 61.1 51.9 47.7 666 704 A H E - 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