==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-JAN-08 3C45 . COMPND 2 MOLECULE: DIPEPTIDYL PEPTIDASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.SCAPIN,S.D.EDMONDSON,A.E.WEBER . 1456 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57851.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 960 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 374 25.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 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 . 2 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 . 130 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 144 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 176 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 6 3 3 0 2 0 0 2 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 2 0 6 2 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 10 7 12 9 8 4 6 2 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 1 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 39 A T 0 0 186 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.6 34.7 48.4 78.5 2 40 A R - 0 0 109 1,-0.1 467,-0.1 467,-0.0 466,-0.0 -0.401 360.0 -96.1 -80.0 160.9 36.3 50.5 75.8 3 41 A K E -a 469 0A 113 465,-0.7 467,-2.7 -2,-0.1 2,-0.2 -0.189 31.8-130.9 -72.7 165.2 34.5 51.7 72.7 4 42 A T E -a 470 0A 34 465,-0.2 2,-0.9 528,-0.0 467,-0.1 -0.575 35.8 -86.5-107.1 175.8 34.5 50.0 69.3 5 43 A Y - 0 0 4 465,-0.5 527,-0.5 522,-0.2 526,-0.1 -0.781 58.4-159.1 -86.8 109.8 35.1 51.5 65.9 6 44 A T > - 0 0 44 -2,-0.9 4,-1.9 525,-0.1 5,-0.1 -0.312 31.6-109.0 -91.0 170.2 31.6 52.6 65.0 7 45 A L H > S+ 0 0 27 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.893 122.3 53.1 -63.7 -36.9 29.8 53.4 61.7 8 46 A T H > S+ 0 0 86 1,-0.2 4,-3.3 2,-0.2 6,-0.3 0.895 104.0 55.4 -65.6 -38.4 29.9 57.1 62.8 9 47 A D H >>S+ 0 0 19 2,-0.2 5,-1.6 1,-0.2 4,-0.5 0.917 112.0 43.9 -58.8 -43.1 33.6 56.9 63.4 10 48 A Y H ><5S+ 0 0 31 -4,-1.9 3,-0.7 3,-0.2 -2,-0.2 0.955 118.1 43.2 -67.2 -48.3 34.1 55.7 59.8 11 49 A L H 3<5S+ 0 0 16 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.827 120.0 41.0 -68.1 -34.0 31.7 58.3 58.3 12 50 A K H 3<5S- 0 0 116 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.366 104.0-126.0 -96.3 5.1 32.9 61.2 60.4 13 51 A N T <<5 + 0 0 81 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.883 47.8 162.5 53.7 43.5 36.6 60.4 60.1 14 52 A T < + 0 0 61 -5,-1.6 2,-0.8 -6,-0.3 -4,-0.1 0.878 67.9 48.8 -59.3 -40.8 37.1 60.5 63.8 15 53 A Y S S- 0 0 12 -6,-0.4 2,-0.4 450,-0.0 -1,-0.2 -0.865 82.1-170.7-106.5 101.5 40.3 58.6 63.6 16 54 A R - 0 0 161 -2,-0.8 2,-0.3 -3,-0.1 446,-0.1 -0.757 19.3-134.7-101.2 135.2 42.5 60.2 60.9 17 55 A L - 0 0 48 -2,-0.4 2,-0.3 506,-0.1 442,-0.0 -0.665 23.9-134.3 -82.1 136.0 45.7 58.9 59.4 18 56 A K - 0 0 99 -2,-0.3 2,-0.2 422,-0.1 439,-0.1 -0.719 23.7-167.3 -90.6 146.4 48.4 61.6 59.2 19 57 A L - 0 0 96 -2,-0.3 2,-0.2 2,-0.0 440,-0.1 -0.637 20.5-145.2-121.8 178.7 50.4 61.9 55.9 20 58 A Y + 0 0 18 -2,-0.2 2,-0.8 437,-0.1 437,-0.1 -0.635 20.8 179.4-150.1 81.3 53.5 63.6 54.8 21 59 A S + 0 0 91 -2,-0.2 12,-0.5 12,-0.1 2,-0.2 -0.802 11.9 174.5 -90.3 109.8 53.1 64.7 51.2 22 60 A L - 0 0 19 -2,-0.8 2,-0.5 10,-0.1 10,-0.2 -0.713 24.6-140.3-112.4 165.4 56.3 66.5 50.1 23 61 A R E -B 31 0B 92 8,-2.1 8,-2.8 -2,-0.2 2,-0.2 -0.949 14.3-139.5-130.1 111.8 57.4 67.9 46.7 24 62 A W E +B 30 0B 26 -2,-0.5 6,-0.3 6,-0.3 3,-0.1 -0.497 23.6 174.1 -67.6 132.5 61.0 67.5 45.7 25 63 A I - 0 0 63 4,-2.4 2,-0.3 -2,-0.2 5,-0.2 0.388 68.0 -7.3-117.6 -4.6 62.2 70.7 43.9 26 64 A S S S- 0 0 34 3,-1.2 399,-1.9 0, 0.0 -1,-0.1 -0.885 88.1 -78.2-165.2-166.0 65.8 69.6 43.6 27 65 A D S S+ 0 0 23 -2,-0.3 397,-0.2 397,-0.2 402,-0.1 0.527 127.8 31.5 -87.9 -4.5 68.2 66.9 44.6 28 66 A H S S+ 0 0 88 1,-0.1 15,-2.7 400,-0.1 16,-0.4 0.525 114.2 48.9-126.9 -16.7 68.5 68.4 48.1 29 67 A E E - C 0 42B 73 13,-0.2 -4,-2.4 14,-0.1 -3,-1.2 -0.930 49.4-171.1-135.0 158.5 65.2 70.1 49.0 30 68 A Y E -BC 24 41B 2 11,-1.5 11,-3.0 -2,-0.3 2,-0.4 -0.958 22.4-121.7-141.9 159.4 61.5 69.6 49.1 31 69 A L E +BC 23 40B 4 -8,-2.8 -8,-2.1 -2,-0.3 2,-0.3 -0.811 26.5 179.5-102.3 143.0 58.3 71.6 49.7 32 70 A Y E - C 0 39B 32 7,-2.2 7,-2.6 -2,-0.4 2,-0.5 -0.977 24.4-131.8-146.5 127.0 55.9 70.8 52.5 33 71 A K E + C 0 38B 108 -12,-0.5 2,-0.4 -2,-0.3 5,-0.2 -0.696 31.8 171.5 -84.1 122.9 52.7 72.6 53.4 34 72 A Q E > - C 0 37B 79 3,-3.5 3,-2.3 -2,-0.5 -2,-0.1 -0.985 67.2 -12.1-135.8 124.8 52.3 73.3 57.1 35 73 A E T 3 S- 0 0 150 -2,-0.4 19,-0.1 1,-0.3 -1,-0.1 0.857 128.6 -57.2 57.1 34.1 49.7 75.5 58.8 36 74 A N T 3 S+ 0 0 108 1,-0.2 2,-0.5 17,-0.1 -1,-0.3 0.575 118.6 120.0 70.7 11.0 48.8 76.7 55.3 37 75 A N E < -C 34 0B 20 -3,-2.3 -3,-3.5 16,-0.1 2,-0.7 -0.919 62.7-137.1-109.5 126.7 52.4 77.8 55.0 38 76 A I E -CD 33 52B 7 14,-1.9 13,-3.2 -2,-0.5 14,-2.1 -0.733 28.7-173.3 -84.8 119.2 54.6 76.3 52.3 39 77 A L E -CD 32 50B 18 -7,-2.6 -7,-2.2 -2,-0.7 2,-0.5 -0.770 18.3-137.5-111.0 157.2 58.0 75.5 53.8 40 78 A V E -CD 31 49B 21 9,-2.4 9,-1.6 -2,-0.3 2,-0.3 -0.966 20.6-157.4-117.0 130.2 61.2 74.4 52.1 41 79 A F E -CD 30 48B 21 -11,-3.0 -11,-1.5 -2,-0.5 2,-0.7 -0.837 16.0-137.7-111.6 147.4 63.2 71.6 53.7 42 80 A N E > -C 29 0B 34 5,-2.5 4,-2.7 -2,-0.3 -13,-0.2 -0.910 16.9-153.0 -99.3 116.0 66.9 70.6 53.5 43 81 A A T 4 S+ 0 0 0 -15,-2.7 -1,-0.2 -2,-0.7 -14,-0.1 0.881 87.8 56.1 -60.1 -41.6 66.9 66.8 53.3 44 82 A E T 4 S+ 0 0 69 -16,-0.4 -1,-0.2 1,-0.2 -15,-0.1 0.940 126.1 15.0 -59.4 -49.8 70.4 66.4 54.7 45 83 A Y T 4 S- 0 0 168 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.2 0.659 92.1-126.4-102.9 -19.0 69.8 68.3 58.0 46 84 A G < + 0 0 22 -4,-2.7 -3,-0.1 1,-0.3 2,-0.1 0.477 61.0 139.0 86.8 0.1 66.0 68.6 58.3 47 85 A N - 0 0 86 -5,-0.2 -5,-2.5 -6,-0.1 -1,-0.3 -0.439 30.5-171.0 -77.3 154.0 66.1 72.3 58.7 48 86 A S E -D 41 0B 53 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.889 17.5-158.3-140.8 171.8 63.5 74.5 56.9 49 87 A S E -D 40 0B 76 -9,-1.6 -9,-2.4 -2,-0.3 2,-0.4 -0.921 39.2 -92.3-143.2 162.2 62.5 78.0 56.1 50 88 A V E +D 39 0B 74 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.687 36.4 179.2 -81.3 131.2 59.2 79.6 55.1 51 89 A F E S+ 0 0 55 -13,-3.2 2,-0.3 -2,-0.4 -12,-0.2 0.773 71.2 10.8-100.3 -35.6 58.8 79.6 51.3 52 90 A L E S-D 38 0B 10 -14,-2.1 -14,-1.9 0, 0.0 -1,-0.3 -0.929 76.3-125.4-151.0 122.4 55.4 81.2 51.1 53 91 A E > - 0 0 85 -2,-0.3 3,-1.3 -16,-0.2 4,-0.3 -0.359 11.8-137.2 -67.0 139.3 53.2 82.8 53.8 54 92 A N T 3 S+ 0 0 76 1,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.749 109.3 52.9 -66.7 -22.2 49.7 81.6 54.4 55 93 A S T > S+ 0 0 55 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.500 78.6 97.3 -90.6 -5.7 48.7 85.3 54.6 56 94 A T T < S+ 0 0 30 -3,-1.3 -1,-0.2 1,-0.3 3,-0.2 0.809 96.7 30.5 -53.4 -30.8 50.4 86.1 51.3 57 95 A F T > S+ 0 0 28 -3,-0.5 3,-2.9 -4,-0.3 4,-0.3 0.102 75.0 128.3-119.8 26.3 46.9 85.8 49.6 58 96 A D T < S+ 0 0 113 -3,-1.8 3,-0.2 1,-0.3 -1,-0.1 0.707 86.4 38.2 -54.0 -22.6 44.5 86.9 52.4 59 97 A E T 3 S+ 0 0 172 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.090 79.7 115.1-115.3 22.6 42.9 89.4 50.0 60 98 A F < - 0 0 28 -3,-2.9 -2,-0.1 2,-0.1 -1,-0.1 0.809 69.2-143.0 -61.9 -29.0 43.1 87.2 47.0 61 99 A G + 0 0 71 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.1 0.421 69.3 82.5 81.8 -2.8 39.3 87.1 46.9 62 100 A H S S- 0 0 88 -5,-0.2 2,-0.7 18,-0.0 -1,-0.2 -0.983 83.5-114.5-135.9 147.0 39.3 83.4 45.7 63 101 A S - 0 0 112 -2,-0.3 18,-0.6 -3,-0.1 2,-0.4 -0.705 35.7-134.9 -81.0 114.7 39.6 80.1 47.5 64 102 A I E -E 80 0C 64 -2,-0.7 16,-0.3 1,-0.2 3,-0.1 -0.587 19.4-171.2 -74.2 126.0 42.8 78.6 46.2 65 103 A N E - 0 0 83 14,-4.0 2,-0.3 -2,-0.4 15,-0.2 0.835 65.1 -24.2 -85.0 -38.4 42.3 74.9 45.4 66 104 A D E -E 79 0C 68 13,-1.2 13,-2.6 2,-0.0 2,-0.3 -0.967 58.6-132.5-164.1 173.1 46.0 74.1 44.8 67 105 A Y E -E 78 0C 19 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.934 7.0-166.6-137.2 161.2 49.3 75.6 44.0 68 106 A S E -E 77 0C 44 9,-1.6 9,-3.7 -2,-0.3 2,-0.3 -0.868 11.8-153.3-152.8 111.7 52.2 74.8 41.6 69 107 A I E -E 76 0C 25 -2,-0.3 7,-0.3 7,-0.3 50,-0.1 -0.684 29.5-109.4 -87.6 137.2 55.6 76.5 42.0 70 108 A S > - 0 0 3 5,-2.7 3,-2.3 -2,-0.3 54,-0.1 -0.254 32.3-107.8 -62.0 154.4 57.7 76.8 38.8 71 109 A P T 3 S+ 0 0 57 0, 0.0 53,-0.1 0, 0.0 -1,-0.1 0.827 120.7 51.7 -53.2 -34.5 60.8 74.6 38.7 72 110 A D T 3 S- 0 0 50 51,-1.5 52,-0.1 1,-0.1 -2,-0.1 0.432 110.0-122.2 -85.8 2.2 63.0 77.6 39.2 73 111 A G S < S+ 0 0 25 -3,-2.3 51,-0.1 50,-0.2 -1,-0.1 0.484 82.5 111.5 73.3 4.5 61.1 78.8 42.2 74 112 A Q S S+ 0 0 64 49,-0.2 25,-2.6 25,-0.1 26,-0.8 0.715 75.0 29.7 -83.0 -23.7 60.3 82.2 40.7 75 113 A F E - F 0 98C 9 23,-0.2 -5,-2.7 24,-0.2 2,-0.4 -0.931 59.6-152.4-136.4 159.0 56.6 81.9 40.2 76 114 A I E -EF 69 97C 0 21,-1.8 21,-2.4 -2,-0.3 2,-0.5 -0.993 14.1-142.7-135.5 127.1 53.7 80.1 41.8 77 115 A L E -EF 68 96C 6 -9,-3.7 -9,-1.6 -2,-0.4 2,-0.6 -0.778 15.1-152.4 -88.5 126.2 50.5 79.1 39.9 78 116 A L E -EF 67 95C 3 17,-3.5 17,-1.7 -2,-0.5 2,-0.5 -0.905 6.5-156.9-106.1 121.2 47.4 79.6 41.9 79 117 A E E +EF 66 94C 14 -13,-2.6 -14,-4.0 -2,-0.6 -13,-1.2 -0.823 25.5 148.1 -99.8 127.1 44.5 77.3 41.0 80 118 A Y E +EF 64 93C 13 13,-2.6 13,-3.2 -2,-0.5 -16,-0.1 -0.905 44.9 51.3-147.1 176.1 40.9 78.3 41.9 81 119 A N E S- 0 0 84 -18,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.898 74.2-169.1 56.7 40.4 37.3 77.9 40.7 82 120 A Y E - 0 0 96 10,-0.1 2,-0.4 -3,-0.1 10,-0.2 -0.422 12.8-178.4 -63.7 129.4 37.9 74.2 40.5 83 121 A V E - F 0 91C 89 8,-2.4 8,-2.2 -2,-0.2 2,-0.0 -0.940 20.7-135.2-133.8 111.7 35.1 72.2 38.7 84 122 A K E + F 0 90C 99 -2,-0.4 6,-0.3 6,-0.2 3,-0.1 -0.310 26.4 171.1 -67.7 142.2 35.5 68.4 38.5 85 123 A Q - 0 0 76 4,-2.8 5,-0.2 1,-0.3 -1,-0.1 0.366 56.9 -21.7-113.0-104.4 34.9 66.5 35.3 86 124 A W S S- 0 0 32 585,-0.0 -1,-0.3 586,-0.0 87,-0.0 0.266 97.2 -54.7 -88.6-145.0 35.8 62.8 35.1 87 125 A R S S+ 0 0 144 1,-0.1 86,-0.1 -3,-0.1 80,-0.0 0.900 134.1 2.3 -65.2 -39.6 38.3 60.8 37.2 88 126 A H S S+ 0 0 71 84,-0.1 85,-0.2 -4,-0.0 -1,-0.1 0.655 112.0 93.0-117.7 -26.4 41.3 63.1 36.5 89 127 A S + 0 0 1 83,-0.1 -4,-2.8 84,-0.1 2,-0.3 -0.341 40.2 140.9 -75.1 153.1 39.9 65.9 34.4 90 128 A Y E -F 84 0C 42 25,-0.5 2,-0.3 -6,-0.3 -6,-0.2 -0.946 37.6-125.3-173.8 165.2 38.6 69.3 35.6 91 129 A T E +F 83 0C 37 -8,-2.2 -8,-2.4 -2,-0.3 2,-0.3 -0.853 32.6 159.9-120.7 161.9 38.6 72.9 34.6 92 130 A A E -H 114 0D 2 22,-1.6 22,-1.9 -2,-0.3 2,-0.3 -0.974 36.9-105.0-167.1 172.7 39.8 75.9 36.7 93 131 A S E -F 80 0C 5 -13,-3.2 -13,-2.6 -2,-0.3 2,-0.3 -0.825 35.2-157.8-108.3 151.0 40.9 79.5 36.7 94 132 A Y E -F 79 0C 3 16,-0.4 2,-0.3 -2,-0.3 -15,-0.2 -0.967 14.5-172.6-134.8 150.1 44.6 80.4 37.3 95 133 A D E -F 78 0C 6 -17,-1.7 -17,-3.5 -2,-0.3 2,-0.5 -0.970 18.2-140.2-135.2 147.2 46.7 83.3 38.5 96 134 A I E -F 77 0C 6 9,-0.5 9,-2.7 -2,-0.3 2,-0.5 -0.952 11.7-158.6-114.5 129.7 50.4 83.6 38.5 97 135 A Y E -FG 76 104C 18 -21,-2.4 -21,-1.8 -2,-0.5 2,-0.8 -0.902 16.1-133.2-108.9 131.7 52.2 85.3 41.4 98 136 A D E > -FG 75 103C 7 5,-4.0 5,-1.3 -2,-0.5 4,-0.4 -0.755 15.7-167.7 -84.9 113.6 55.8 86.6 40.9 99 137 A L T 5S+ 0 0 18 -25,-2.6 -1,-0.2 -2,-0.8 -24,-0.2 0.723 84.2 52.5 -75.2 -20.8 57.8 85.4 43.9 100 138 A N T 5S+ 0 0 107 -26,-0.8 -1,-0.2 1,-0.2 -25,-0.1 0.942 121.6 27.7 -80.2 -48.8 60.7 87.7 43.2 101 139 A K T 5S- 0 0 108 2,-0.2 -2,-0.2 0, 0.0 -1,-0.2 0.298 102.6-128.2 -94.2 9.3 58.7 91.0 42.9 102 140 A R T 5 + 0 0 118 -4,-0.4 2,-0.4 1,-0.2 -3,-0.2 0.875 64.9 134.0 45.8 46.1 56.0 89.6 45.3 103 141 A Q E < -G 98 0C 87 -5,-1.3 -5,-4.0 0, 0.0 2,-0.6 -0.976 60.8-125.7-132.4 141.3 53.4 90.6 42.7 104 142 A L E -G 97 0C 50 -2,-0.4 -7,-0.3 -7,-0.3 2,-0.2 -0.722 35.9-122.5 -83.3 117.4 50.3 89.0 41.2 105 143 A I + 0 0 7 -9,-2.7 -9,-0.5 -2,-0.6 -1,-0.1 -0.414 35.2 173.0 -63.1 125.4 50.7 89.1 37.4 106 144 A T + 0 0 94 -2,-0.2 3,-0.4 -11,-0.1 2,-0.3 0.524 50.0 84.9-111.9 -9.4 47.7 90.9 35.9 107 145 A E S S- 0 0 129 1,-0.2 -2,-0.0 36,-0.0 0, 0.0 -0.751 101.9 -4.0 -98.5 141.6 48.7 91.1 32.2 108 146 A E S S- 0 0 105 -2,-0.3 -1,-0.2 1,-0.1 2,-0.2 0.929 87.9-176.6 47.3 58.4 48.1 88.3 29.7 109 147 A R - 0 0 105 -3,-0.4 -1,-0.1 1,-0.1 -14,-0.1 -0.486 34.2 -85.3 -89.2 158.0 46.7 85.9 32.3 110 148 A I - 0 0 6 -2,-0.2 -16,-0.4 -16,-0.1 -1,-0.1 -0.310 54.6-108.0 -57.2 136.7 45.6 82.3 31.8 111 149 A P > - 0 0 32 0, 0.0 3,-0.6 0, 0.0 -17,-0.2 -0.242 32.7-102.6 -66.1 155.9 41.9 82.2 30.5 112 150 A N T 3 S+ 0 0 85 1,-0.2 -19,-0.2 -19,-0.1 -31,-0.1 -0.364 105.7 36.1 -73.7 159.5 39.1 81.0 32.8 113 151 A N T 3 S+ 0 0 104 1,-0.2 18,-0.5 -32,-0.1 2,-0.3 0.830 80.5 173.9 65.4 30.0 37.8 77.5 32.2 114 152 A T B < -H 92 0D 0 -22,-1.9 -22,-1.6 -3,-0.6 16,-0.2 -0.550 22.8-156.2 -71.1 132.9 41.4 76.3 31.4 115 153 A Q - 0 0 22 14,-2.1 -25,-0.5 1,-0.3 2,-0.3 0.778 69.1 -3.0 -83.5 -29.8 41.4 72.5 31.0 116 154 A W E -I 129 0E 65 13,-1.1 13,-2.4 -24,-0.1 2,-0.3 -0.952 58.1-176.1-163.9 142.2 45.0 71.8 31.8 117 155 A V E +I 128 0E 13 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.994 6.9 173.6-141.9 144.8 48.2 73.8 32.7 118 156 A T E -I 127 0E 43 9,-2.3 9,-1.7 -2,-0.3 2,-0.0 -0.941 26.6-128.4-156.4 133.5 51.8 72.7 33.2 119 157 A W E -I 126 0E 16 -2,-0.3 7,-0.2 7,-0.2 59,-0.2 -0.319 41.9 -99.2 -69.6 159.3 55.1 74.4 33.8 120 158 A S - 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0 0 1 -3,-0.5 -29,-0.2 1,-0.1 4,-0.2 -0.628 62.0-137.7 -96.2 157.7 25.9 38.8 31.5 650 688 A V S > S+ 0 0 2 -31,-2.7 3,-2.1 -2,-0.2 4,-0.1 0.884 100.4 65.7 -74.6 -40.8 24.2 39.2 34.9 651 689 A M G > S+ 0 0 13 -32,-0.4 3,-1.7 1,-0.3 4,-0.2 0.814 90.8 61.4 -52.0 -39.2 20.8 39.3 33.3 652 690 A S G 3 S+ 0 0 79 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.678 104.1 52.0 -65.9 -13.3 20.9 35.7 32.0 653 691 A R G X S+ 0 0 61 -3,-2.1 3,-1.2 -4,-0.2 4,-0.4 0.298 71.8 114.6-103.9 8.7 21.2 34.5 35.6 654 692 A A G X + 0 0 5 -3,-1.7 3,-2.2 1,-0.3 4,-0.2 0.858 69.6 60.9 -45.5 -48.5 18.1 36.4 37.0 655 693 A E G > S+ 0 0 109 1,-0.3 3,-1.6 -4,-0.2 -1,-0.3 0.846 96.7 60.7 -48.9 -42.3 16.2 33.2 37.8 656 694 A N G X S+ 0 0 78 -3,-1.2 3,-0.8 -53,-0.3 -1,-0.3 0.589 86.2 75.1 -67.1 -10.1 18.9 32.1 40.2 657 695 A F G X + 0 0 2 -3,-2.2 3,-1.9 -4,-0.4 -1,-0.3 0.581 68.7 94.4 -78.6 -6.8 18.4 35.2 42.4 658 696 A K G < S+ 0 0 121 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.794 85.8 45.5 -55.3 -31.0 15.1 33.7 43.8 659 697 A Q G < S+ 0 0 189 -3,-0.8 2,-0.3 -57,-0.2 -1,-0.3 0.252 106.8 66.5-100.1 15.9 16.9 32.2 46.8 660 698 A V S < S- 0 0 25 -3,-1.9 2,-0.5 -58,-0.0 -49,-0.2 -0.916 76.1-120.7-133.1 158.8 19.0 35.2 47.9 661 699 A E E -n 611 0P 65 -51,-1.9 -49,-2.0 -2,-0.3 2,-0.4 -0.871 37.4-171.4 -97.8 127.3 18.5 38.7 49.2 662 700 A Y E -n 612 0P 3 -2,-0.5 31,-3.3 29,-0.2 2,-0.5 -0.971 18.5-166.4-127.7 136.2 19.9 41.2 46.9 663 701 A L E -no 613 693P 0 -51,-2.0 -49,-2.2 -2,-0.4 2,-0.5 -0.988 11.5-166.6-121.3 119.5 20.5 45.0 47.2 664 702 A L E +no 614 694P 0 29,-2.7 31,-1.8 -2,-0.5 2,-0.3 -0.946 9.3 178.8-111.8 125.5 21.3 46.8 43.9 665 703 A I E +no 615 695P 0 -51,-2.4 -49,-2.7 -2,-0.5 2,-0.3 -0.953 5.6 162.0-129.0 143.6 22.6 50.4 44.1 666 704 A H E - o 0 696P 0 29,-1.7 31,-1.9 -2,-0.3 2,-0.3 -0.955 35.3-122.1-163.4 139.5 23.7 52.9 41.4 667 705 A G E > - o 0 697P 0 -2,-0.3 3,-1.1 29,-0.2 31,-0.2 -0.672 21.6-139.7 -82.5 137.6 24.4 56.6 40.9 668 706 A T T 3 S+ 0 0 11 29,-2.2 7,-0.3 -2,-0.3 -467,-0.1 0.726 99.8 50.3 -71.6 -21.1 22.2 58.0 38.1 669 707 A A T 3 S+ 0 0 6 31,-1.8 2,-0.7 28,-0.5 -1,-0.3 -0.034 72.6 145.2-106.4 31.1 25.0 60.2 36.7 670 708 A D < - 0 0 1 -3,-1.1 5,-0.5 31,-0.3 31,-0.1 -0.604 23.1-179.5 -71.9 109.3 27.6 57.4 36.5 671 709 A D S S+ 0 0 10 -2,-0.7 3,-0.2 3,-0.1 -1,-0.2 0.592 78.0 47.2 -83.5 -15.7 29.6 58.4 33.4 672 710 A N S S+ 0 0 6 1,-0.3 2,-0.9 -3,-0.1 -47,-0.2 0.932 124.9 18.9 -90.4 -70.6 31.9 55.3 33.8 673 711 A V S S- 0 0 1 -49,-0.1 -1,-0.3 -55,-0.0 -3,-0.1 -0.908 99.5-130.1-103.4 99.7 29.6 52.2 34.5 674 712 A H >> - 0 0 4 -2,-0.9 3,-2.3 -51,-0.3 4,-0.5 -0.123 10.6-119.7 -58.8 147.5 26.4 53.7 33.1 675 713 A F H >> S+ 0 0 13 -5,-0.5 4,-2.4 1,-0.3 3,-0.9 0.837 110.1 77.8 -52.3 -32.4 23.2 53.5 35.2 676 714 A Q H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.838 83.4 62.3 -43.3 -42.0 22.0 51.5 32.2 677 715 A Q H <> S+ 0 0 0 -3,-2.3 4,-1.0 1,-0.2 -1,-0.3 0.918 110.8 35.9 -59.1 -43.3 23.9 48.5 33.5 678 716 A S H <>S+ 0 0 2 -4,-2.2 5,-2.4 2,-0.2 3,-0.6 0.919 111.7 49.3 -67.7 -42.3 14.8 40.4 37.8 686 724 A V H ><5S+ 0 0 11 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.934 106.3 59.0 -59.9 -43.5 11.3 42.0 37.5 687 725 A D H 3<5S+ 0 0 87 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.741 110.8 39.2 -59.1 -27.1 10.9 39.9 34.3 688 726 A V T <<5S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.235 116.1-110.6-107.0 12.6 11.3 36.6 36.2 689 727 A G T < 5 + 0 0 52 -3,-1.7 2,-0.5 -4,-0.2 -3,-0.2 0.884 63.3 150.0 65.4 41.1 9.4 37.7 39.3 690 728 A V < - 0 0 7 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.920 38.0-138.7-109.4 129.2 12.3 38.0 41.8 691 729 A D + 0 0 46 -2,-0.5 2,-0.3 -33,-0.1 -29,-0.2 -0.525 32.8 155.6 -82.0 150.9 12.0 40.5 44.6 692 730 A F - 0 0 3 -2,-0.2 2,-0.3 -31,-0.1 -29,-0.2 -0.973 39.7-101.0-164.2 170.0 15.0 42.6 45.6 693 731 A Q E -o 663 0P 49 -31,-3.3 -29,-2.7 -2,-0.3 2,-0.3 -0.778 37.5-177.9-102.1 146.5 16.1 45.9 47.2 694 732 A A E -oP 6641423P 2 729,-0.8 729,-0.8 -2,-0.3 2,-0.3 -0.964 15.7-178.8-142.9 159.5 17.3 48.9 45.2 695 733 A M E -o 665 0P 0 -31,-1.8 -29,-1.7 -2,-0.3 2,-0.3 -0.875 7.8-164.8-158.5 122.0 18.6 52.4 45.7 696 734 A W E -o 666 0P 1 -2,-0.3 2,-0.6 -31,-0.2 -29,-0.2 -0.778 14.7-142.9-103.6 154.9 19.5 55.0 43.1 697 735 A Y E > -o 667 0P 3 -31,-1.9 -29,-2.2 -2,-0.3 3,-1.8 -0.941 21.9-126.2-122.4 107.1 21.5 58.0 44.0 698 736 A T T 3 S- 0 0 6 -2,-0.6 3,-0.1 1,-0.3 -496,-0.1 -0.306 84.8 -9.6 -57.0 126.6 20.4 61.1 42.1 699 737 A D T 3 S+ 0 0 23 1,-0.2 -1,-0.3 -498,-0.2 2,-0.3 0.520 97.7 132.6 62.8 11.6 23.3 62.8 40.3 700 738 A E < - 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0 0 32 -3,-1.8 -31,-1.9 -34,-0.1 -1,-0.2 -0.657 42.2-150.3 -91.2 148.7 7.9 51.7 33.0 1430 739 B D > - 0 0 41 -2,-0.3 3,-1.3 -33,-0.1 -31,-0.3 -0.174 45.2 -59.7-103.1-158.7 5.7 54.7 32.7 1431 740 B H T 3 S+ 0 0 23 -33,-0.3 -110,-0.1 1,-0.3 -32,-0.1 0.751 134.3 48.1 -57.4 -26.1 3.1 56.4 34.9 1432 741 B G T 3 S- 0 0 38 0, 0.0 -1,-0.3 0, 0.0 -3,-0.0 0.649 81.4-156.5 -90.2 -13.6 1.0 53.3 35.0 1433 742 B I < + 0 0 1 -3,-1.3 9,-0.1 1,-0.2 -2,-0.1 0.904 46.1 143.8 34.4 51.2 3.7 50.8 35.8 1434 743 B A + 0 0 74 4,-0.1 -1,-0.2 5,-0.1 -3,-0.0 0.359 9.2 124.1-103.1 2.7 1.2 48.5 34.2 1435 744 B S S > S- 0 0 40 1,-0.1 4,-3.0 4,-0.1 5,-0.3 -0.371 74.2-112.8 -61.2 146.8 3.3 46.0 32.3 1436 745 B S H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.908 112.9 40.4 -48.4 -51.8 2.4 42.5 33.5 1437 746 B T H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.921 116.8 47.4 -69.3 -41.8 5.7 41.7 35.2 1438 747 B A H > S+ 0 0 1 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.916 109.8 55.1 -66.0 -41.0 6.3 45.2 36.7 1439 748 B H H X S+ 0 0 49 -4,-3.0 4,-1.8 1,-0.2 5,-0.2 0.942 111.5 43.0 -54.9 -51.3 2.7 45.2 38.0 1440 749 B Q H X S+ 0 0 43 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.912 115.2 51.6 -62.9 -40.5 3.2 41.9 39.8 1441 750 B H H X S+ 0 0 8 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.916 108.6 47.9 -65.4 -45.6 6.6 43.1 41.0 1442 751 B I H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.922 113.4 46.2 -65.9 -41.4 5.5 46.4 42.5 1443 752 B Y H X S+ 0 0 26 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.876 113.5 50.0 -69.9 -32.3 2.5 45.1 44.4 1444 753 B T H X S+ 0 0 38 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.956 112.9 46.8 -67.0 -47.7 4.6 42.2 45.8 1445 754 B H H X S+ 0 0 7 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.904 113.4 48.6 -60.4 -42.0 7.3 44.7 46.8 1446 755 B M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.860 107.0 56.1 -67.6 -35.3 4.7 47.0 48.4 1447 756 B S H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.929 106.5 49.6 -61.8 -46.4 3.1 44.1 50.3 1448 757 B H H X S+ 0 0 98 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.894 111.3 50.5 -58.7 -42.0 6.4 43.1 52.0 1449 758 B F H X S+ 0 0 11 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.903 113.4 43.8 -64.4 -42.8 6.9 46.7 53.0 1450 759 B I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.924 113.5 50.2 -69.0 -45.7 3.4 47.1 54.5 1451 760 B K H <>S+ 0 0 45 -4,-2.9 5,-3.1 1,-0.2 4,-0.3 0.916 112.3 48.4 -59.0 -42.9 3.5 43.7 56.3 1452 761 B Q H ><5S+ 0 0 103 -4,-2.3 3,-1.4 -5,-0.2 -1,-0.2 0.934 110.4 50.2 -63.0 -47.5 6.9 44.6 57.8 1453 762 B j H 3<5S+ 0 0 1 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.840 116.3 42.8 -60.1 -33.1 5.7 48.1 58.9 1454 763 B F T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.368 111.2-120.6 -94.7 4.5 2.7 46.4 60.6 1455 764 B S T < 5 + 0 0 94 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.912 55.3 162.4 57.4 44.6 4.7 43.5 62.1 1456 765 B L < 0 0 34 -5,-3.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.842 360.0 360.0-101.8 132.6 2.6 41.0 60.2 1457 766 B P 0 0 162 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.850 360.0 360.0 -53.6 360.0 3.8 37.4 59.6