==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JAN-04 1S0Q . COMPND 2 MOLECULE: TRYPSINOGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.GARCIA-GRANDA,J.A.CHAMORRO GAVILANES . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9190.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 2 2 5 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 0 1 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 1 660 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.4 62.5 38.0 14.5 2 661 A V B +A 171 0A 10 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.871 360.0 6.7-101.2 131.3 64.7 38.8 17.5 3 662 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.5 169,-0.1 0.696 102.9 115.2 76.6 18.3 66.3 35.9 19.3 4 663 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.025 58.4-110.2 -99.6-154.3 65.2 33.2 16.9 5 664 A Y E -B 137 0B 97 132,-2.4 132,-2.8 -3,-0.1 2,-0.5 -0.937 34.9 -85.7-142.3 158.1 66.9 30.8 14.6 6 665 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.590 36.9-151.0 -69.5 121.5 67.3 30.2 10.9 7 666 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.899 35.7-112.6 -60.7 -44.9 64.2 28.2 9.9 8 667 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.025 47.6 -59.0 107.8 141.1 65.8 26.3 7.0 9 668 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.233 117.4 -9.9 -61.8 126.4 64.8 26.8 3.4 10 669 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.656 92.3 125.1 63.1 22.2 61.2 26.1 2.6 11 670 A T S < S+ 0 0 85 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.553 74.5 49.8 -84.0 -7.6 60.6 24.5 6.1 12 671 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.773 74.5 175.3-126.7 73.8 57.7 26.9 6.6 13 672 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.628 72.2 56.0 -74.1 -12.4 55.9 26.4 3.3 14 673 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.463 81.7 110.1 -88.7 -9.6 52.8 28.6 4.1 15 674 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.599 48.7-173.1 -74.2 128.5 55.0 31.7 4.8 16 675 A V E -J 27 0C 0 11,-2.5 11,-1.1 -2,-0.4 2,-0.5 -0.832 19.3-140.5-115.3 155.4 54.7 34.3 2.1 17 676 A S E -JK 26 49C 1 32,-2.4 32,-2.8 -2,-0.3 2,-0.5 -0.974 14.6-143.8-109.0 129.0 56.6 37.6 1.5 18 677 A L E -JK 25 48C 0 7,-3.2 6,-2.6 -2,-0.5 7,-1.0 -0.849 23.8-167.3 -92.0 126.9 54.5 40.5 0.3 19 678 A N E +JK 23 47C 18 28,-2.8 28,-2.8 -2,-0.5 4,-0.2 -0.956 31.0 166.2-125.1 130.1 56.6 42.6 -2.1 20 679 A S S S- 0 0 31 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.305 98.2 -45.1-128.5 45.3 56.0 46.0 -3.6 21 680 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.197 140.6 25.6 106.6 -13.3 59.5 46.4 -5.0 22 681 A Y S S- 0 0 127 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.922 103.4 -77.7-171.6 152.4 60.9 45.1 -1.7 23 682 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.507 52.5 159.1 -59.2 131.0 59.7 42.8 1.1 24 683 A F E + 0 0 33 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.516 57.9 2.5-130.8 -13.0 57.4 44.8 3.3 25 684 A b E -J 18 0C 6 -7,-1.0 -7,-3.2 151,-0.1 -1,-0.4 -0.971 61.7-121.4-163.7 158.0 55.2 42.2 5.2 26 685 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.415 27.8 176.1 -92.8-180.0 54.7 38.6 5.8 27 686 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.949 25.3-114.7-170.6 175.6 51.5 36.6 5.2 28 687 A S E -JL 15 36C 0 8,-2.3 8,-2.7 -2,-0.3 2,-0.4 -0.991 19.9-130.3-130.3 129.8 50.2 33.0 5.3 29 688 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.639 27.6 172.7 -77.9 123.6 48.9 30.9 2.4 30 689 A I E - 0 0 19 4,-2.7 2,-0.3 -2,-0.4 5,-0.2 0.589 66.9 -10.7-114.1 -11.7 45.5 29.5 3.3 31 690 A N E > S- L 0 34C 51 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.917 89.9 -76.0-163.0-175.8 44.5 27.9 -0.0 32 691 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.674 128.2 29.6 -65.4 -16.2 45.8 28.0 -3.6 33 692 A Q T 3 S+ 0 0 74 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.492 109.6 68.8-120.3 -4.9 44.3 31.5 -4.2 34 693 A W E < -LM 31 89C 0 -3,-0.6 -4,-2.7 55,-0.2 -3,-1.2 -0.971 46.8-170.8-135.2 140.5 44.3 33.3 -0.9 35 694 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.942 14.5-146.4-120.0 141.2 46.7 34.8 1.7 36 695 A V E +LM 28 87C 0 -8,-2.7 -8,-2.3 -2,-0.4 2,-0.2 -0.911 33.4 147.9-105.3 133.3 45.9 36.1 5.2 37 696 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.3 -0.726 49.4 -68.6-142.4-168.4 48.0 39.0 6.5 38 697 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.719 31.7-131.9 -89.6 143.4 47.6 42.1 8.7 39 698 A A G > S+ 0 0 2 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.832 107.7 65.8 -59.7 -30.0 45.4 45.0 7.8 40 699 A H G 3 S+ 0 0 60 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.640 93.1 63.3 -72.3 -7.2 48.2 47.3 8.7 41 700 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.368 76.5 131.6 -86.4 -1.4 50.1 45.7 5.7 42 701 A Y < + 0 0 134 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.307 20.6 133.4 -57.9 137.3 47.5 47.0 3.3 43 702 A K - 0 0 60 -2,-0.1 3,-0.3 0, 0.0 2,-0.1 -0.938 52.2-104.0-165.6 163.0 48.8 48.8 0.2 44 703 A S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.409 94.5 44.0 -80.9 162.7 48.2 48.7 -3.5 45 704 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.878 73.1 170.8 75.8 37.0 50.6 47.0 -5.9 46 705 A I - 0 0 9 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.664 19.7-167.4 -87.3 131.2 51.2 43.8 -4.0 47 706 A Q E -KN 19 66C 49 -28,-2.8 -28,-2.8 -2,-0.4 2,-0.5 -0.971 18.3-140.7-108.4 125.5 53.1 40.9 -5.5 48 707 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.763 12.2-158.2 -85.3 127.4 52.9 37.7 -3.4 49 708 A R E -KN 17 64C 50 -32,-2.8 -32,-2.4 -2,-0.5 3,-0.3 -0.943 13.7-179.0-114.4 109.6 56.1 35.7 -3.2 50 709 A L E + N 0 63C 3 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.674 60.9 32.4 -99.7 159.2 55.7 32.1 -2.3 51 710 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.698 84.1 155.2 70.6 19.4 58.4 29.5 -1.9 52 711 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.576 21.9 149.5 -85.3 142.9 60.9 32.0 -0.6 53 712 A D S S+ 0 0 14 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.380 81.4 30.8-119.1 -83.5 64.0 31.5 1.6 54 713 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.636 72.8-160.5 -73.4 113.1 66.5 34.1 0.7 55 714 A I T 3 S+ 0 0 30 78,-2.3 -1,-0.2 -2,-0.7 79,-0.1 0.563 87.8 52.0 -77.2 -4.1 64.3 37.0 -0.4 56 715 A N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.378 105.8 57.6-107.7 1.0 67.3 38.6 -2.3 57 716 A V S < S- 0 0 77 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -1.000 77.7-128.1-134.9 133.7 68.3 35.5 -4.4 58 717 A V + 0 0 116 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.743 34.9 171.0 -80.8 112.1 66.3 33.4 -6.8 59 718 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.541 51.3 -97.1-105.6 -14.3 67.0 29.9 -5.4 60 719 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.341 103.9 73.1 122.4 -10.8 64.5 27.8 -7.5 61 720 A N + 0 0 63 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.333 66.4 122.3-117.0 8.8 61.3 27.2 -5.5 62 721 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.335 39.1-167.8 -72.3 150.3 59.7 30.7 -5.8 63 722 A Q E -N 50 0C 39 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.6 -0.973 7.6-163.8-130.5 122.3 56.3 31.5 -7.2 64 723 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.930 16.7 168.8-106.8 119.3 55.7 35.2 -7.8 65 724 A I E -N 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.993 29.2-128.0-135.9 127.0 52.0 36.0 -8.3 66 725 A S E -N 47 0C 52 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.407 28.5-110.4 -71.6 147.5 50.4 39.5 -8.3 67 726 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.552 22.9-169.5 -71.5 137.2 47.4 40.2 -6.1 68 727 A S E S+ 0 0 63 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.713 72.4 3.6 -90.4 -31.9 44.1 40.7 -7.8 69 728 A K E -O 89 0C 96 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.985 56.7-157.2-156.7 140.0 42.2 42.0 -4.8 70 729 A S E -O 88 0C 40 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.976 7.8-163.9-121.2 143.6 42.8 42.9 -1.1 71 730 A I E -O 87 0C 36 16,-2.9 16,-2.5 -2,-0.4 2,-0.2 -0.935 5.0-158.6-131.9 103.4 40.1 42.9 1.5 72 731 A V E -O 86 0C 48 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.598 43.0 -87.8 -72.0 141.3 40.8 44.7 4.8 73 732 A H > - 0 0 22 12,-2.3 3,-1.8 10,-0.3 -1,-0.1 -0.217 36.0-122.4 -52.8 139.9 38.5 43.5 7.6 74 733 A P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.781 110.1 40.3 -55.9 -31.2 35.3 45.6 7.7 75 734 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.155 79.1 143.0-107.5 15.5 36.0 46.7 11.2 76 735 A Y < - 0 0 54 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.381 31.9-163.3 -60.3 132.4 39.7 47.3 11.1 77 736 A N > - 0 0 67 5,-2.1 4,-2.2 -2,-0.1 5,-0.5 -0.967 7.0-163.0-118.4 111.9 40.7 50.4 13.2 78 737 A S T 4 S+ 0 0 78 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.672 86.8 56.8 -73.2 -16.0 44.2 51.6 12.4 79 738 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.897 123.6 21.0 -77.4 -45.5 44.5 53.6 15.6 80 739 A T T 4 S- 0 0 73 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.609 96.6-130.9 -93.8 -17.5 43.9 50.7 18.0 81 740 A L >< + 0 0 31 -4,-2.2 3,-0.8 1,-0.3 2,-0.2 0.570 49.2 159.4 64.3 20.3 44.8 47.9 15.5 82 741 A N T 3 + 0 0 38 -5,-0.5 -5,-2.1 1,-0.3 -1,-0.3 -0.490 67.0 16.5 -65.6 135.5 41.6 46.1 16.5 83 742 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.890 79.9 179.7 62.8 48.2 40.7 43.6 13.8 84 743 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.463 35.3 113.8 -82.7 75.4 44.1 43.7 12.2 85 744 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.999 36.5 177.4-148.9 143.2 43.5 41.2 9.4 86 745 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.994 18.3-141.2-146.9 146.3 43.3 41.3 5.6 87 746 A L E -MO 36 71C 0 -16,-2.5 -16,-2.9 -2,-0.3 2,-0.4 -0.872 12.8-163.9-107.9 142.0 42.8 38.8 2.9 88 747 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.994 6.2-152.8-126.7 125.5 44.7 38.9 -0.4 89 748 A K E -MO 34 69C 40 -20,-2.8 -21,-2.7 -2,-0.4 -20,-1.1 -0.819 16.9-130.5 -99.2 136.8 43.5 37.0 -3.5 90 749 A L E - O 0 67C 2 -57,-2.9 -23,-0.2 -2,-0.4 -24,-0.1 -0.609 12.2-128.4 -83.9 143.9 46.1 35.9 -6.1 91 750 A K S S+ 0 0 143 -25,-2.8 2,-0.3 -2,-0.2 -24,-0.1 0.731 96.4 16.4 -63.8 -27.3 45.6 36.6 -9.8 92 751 A S S S- 0 0 67 -26,-0.3 2,-0.2 -60,-0.1 -1,-0.1 -0.957 96.5 -91.8-142.0 156.8 46.3 33.0 -10.6 93 752 A A - 0 0 56 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.494 40.1-120.9 -70.4 134.6 46.3 29.9 -8.4 94 753 A A - 0 0 8 -62,-3.0 2,-0.8 -2,-0.2 -1,-0.1 -0.389 23.7-116.2 -65.2 153.8 49.6 28.9 -6.8 95 754 A S - 0 0 77 -2,-0.1 2,-0.2 6,-0.0 -1,-0.1 -0.816 34.9-141.5 -90.5 108.2 50.9 25.4 -7.6 96 755 A L + 0 0 79 -2,-0.8 2,-0.2 3,-0.1 5,-0.2 -0.527 37.4 141.8 -81.0 139.8 50.9 23.6 -4.3 97 756 A N - 0 0 73 3,-2.8 3,-0.5 -2,-0.2 -1,-0.0 -0.817 67.4 -68.6-156.2-170.9 53.7 21.3 -3.5 98 757 A S S S+ 0 0 90 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.756 133.4 39.5 -65.3 -24.5 55.9 20.3 -0.4 99 758 A R S S+ 0 0 115 1,-0.2 2,-0.4 -87,-0.1 -48,-0.2 0.550 118.8 46.2-100.6 -13.5 57.6 23.7 -0.4 100 759 A V S S+ 0 0 0 -3,-0.5 -3,-2.8 -50,-0.1 2,-0.3 -0.947 80.6 145.4-133.6 102.9 54.5 25.9 -1.2 101 760 A A - 0 0 27 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.1 -0.986 45.3-111.6-145.4 148.5 51.6 24.7 1.0 102 761 A S - 0 0 57 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.397 25.3-134.0 -75.9 158.3 48.6 26.1 2.7 103 762 A I - 0 0 17 -74,-2.4 83,-0.1 -89,-0.2 2,-0.1 -0.931 26.7-111.6-110.6 138.1 48.2 26.2 6.5 104 763 A S B -c 186 0B 72 81,-0.7 83,-2.7 -2,-0.4 -73,-0.1 -0.378 24.4-123.8 -67.8 146.6 44.9 25.1 8.1 105 764 A L - 0 0 27 81,-0.2 83,-0.1 -75,-0.1 -1,-0.1 -0.479 38.1 -96.2 -79.3 152.5 42.6 27.6 9.9 106 765 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.379 19.3-159.1 -70.9 154.7 41.7 26.9 13.5 107 766 A T S S+ 0 0 131 1,-0.4 2,-0.3 2,-0.1 -2,-0.0 0.562 83.6 8.9-103.0 -19.1 38.6 25.1 14.6 108 767 A S S S- 0 0 80 0, 0.0 -1,-0.4 0, 0.0 102,-0.1 -0.937 93.0 -87.0-150.2 162.9 38.8 26.6 18.1 109 768 A c - 0 0 55 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.269 43.5-115.0 -67.9 156.1 40.9 29.2 19.8 110 769 A A - 0 0 28 78,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.521 27.4-125.8 -88.9 158.1 44.2 28.3 21.3 111 770 A S > - 0 0 80 -2,-0.2 3,-2.3 1,-0.1 31,-0.3 -0.761 30.8 -86.0-105.5 153.7 45.0 28.5 25.0 112 771 A A T 3 S+ 0 0 61 -2,-0.3 31,-0.2 1,-0.3 3,-0.1 -0.280 115.4 35.0 -52.0 137.6 47.7 30.2 27.0 113 772 A G T 3 S+ 0 0 53 29,-2.9 -1,-0.3 1,-0.4 30,-0.1 0.079 82.1 135.5 96.6 -16.6 50.7 28.0 27.3 114 773 A T < - 0 0 38 -3,-2.3 28,-2.2 27,-0.1 2,-0.4 -0.385 55.6-125.6 -61.3 136.7 50.3 26.6 23.8 115 774 A Q E +D 141 0B 102 26,-0.2 69,-0.5 -3,-0.1 2,-0.3 -0.707 35.3 178.0 -89.0 131.2 53.6 26.5 21.9 116 775 A d E -D 140 0B 5 24,-2.5 24,-2.2 -2,-0.4 2,-0.5 -0.832 28.7-123.4-130.2 166.4 53.7 28.2 18.5 117 776 A L E -DE 139 182B 35 65,-2.7 65,-2.4 -2,-0.3 2,-0.4 -0.972 23.3-171.6-113.8 121.6 56.0 29.0 15.6 118 777 A I E +DE 138 181B 0 20,-2.9 20,-2.2 -2,-0.5 2,-0.3 -0.916 13.6 176.5-112.5 136.3 56.4 32.6 14.6 119 778 A S E +D 137 0B 0 61,-1.2 2,-0.3 -2,-0.4 18,-0.2 -0.962 10.3 117.1-145.0 157.3 58.4 33.4 11.4 120 779 A G E -D 136 0B 1 16,-2.2 16,-2.0 -2,-0.3 56,-0.2 -0.950 59.4 -97.1 165.5 176.4 59.4 36.2 9.2 121 780 A W S S+ 0 0 2 54,-0.5 55,-0.2 -2,-0.3 3,-0.1 0.026 73.8 127.8-105.1 20.7 62.1 38.4 7.5 122 781 A G S S- 0 0 0 1,-0.2 53,-0.3 9,-0.1 52,-0.1 -0.072 70.4 -55.2 -74.2 176.7 61.8 41.2 10.0 123 782 A N - 0 0 11 51,-2.7 8,-0.2 8,-0.2 -1,-0.2 -0.199 39.1-158.1 -51.7 137.6 64.5 42.9 12.0 124 783 A T + 0 0 43 6,-2.5 -121,-0.5 -3,-0.1 2,-0.4 0.382 66.0 82.4-102.4 2.5 66.7 40.6 14.1 125 784 A K - 0 0 109 5,-0.3 3,-0.1 3,-0.2 5,-0.1 -0.839 58.0-158.0-112.7 145.4 67.9 43.2 16.6 126 785 A S S S+ 0 0 58 -2,-0.4 71,-0.4 1,-0.3 2,-0.4 0.638 95.7 29.9 -89.8 -16.3 66.2 44.6 19.8 127 786 A S S S- 0 0 100 69,-0.1 -1,-0.3 0, 0.0 2,-0.1 -0.987 128.4 -0.7-136.7 120.8 68.3 47.8 19.7 128 787 A G S S- 0 0 55 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.2 -0.465 89.6 -71.6 92.2-179.2 69.3 48.8 16.3 129 788 A T + 0 0 105 -2,-0.1 2,-0.3 -5,-0.1 -3,-0.1 -0.984 41.7 152.2-140.6 133.8 68.7 47.2 12.9 130 789 A S - 0 0 52 -2,-0.4 -6,-2.5 -5,-0.1 -5,-0.3 -0.928 23.0-156.3-154.3 124.2 69.6 44.2 10.9 131 790 A Y - 0 0 103 -2,-0.3 -8,-0.2 -8,-0.2 -9,-0.1 -0.910 14.7-140.1-109.0 124.4 67.4 42.6 8.3 132 791 A P - 0 0 17 0, 0.0 -77,-0.1 0, 0.0 4,-0.1 -0.371 8.4-150.7 -79.7 160.8 68.0 39.0 7.3 133 792 A D S S+ 0 0 70 -2,-0.1 -78,-2.3 -79,-0.1 2,-0.2 0.784 80.7 58.6 -94.6 -36.6 67.8 37.6 3.9 134 793 A V S S- 0 0 36 -80,-0.3 2,-0.2 1,-0.1 -80,-0.2 -0.558 100.0 -86.5 -96.4 161.1 66.7 34.1 4.9 135 794 A L - 0 0 4 -2,-0.2 -128,-2.1 -129,-0.1 -127,-0.5 -0.417 41.5-152.8 -71.7 134.7 63.6 33.2 6.9 136 795 A K E -BD 6 120B 45 -16,-2.0 -16,-2.2 -130,-0.2 2,-0.3 -0.784 7.7-160.0-109.0 152.7 63.8 33.3 10.7 137 796 A a E -BD 5 119B 2 -132,-2.8 -132,-2.4 -2,-0.3 2,-0.3 -0.926 8.8-171.0-131.5 151.6 61.8 31.3 13.2 138 797 A L E - D 0 118B 6 -20,-2.2 -20,-2.9 -2,-0.3 2,-0.5 -0.970 15.5-146.9-146.2 128.1 60.9 31.6 16.9 139 798 A K E + D 0 117B 127 -2,-0.3 -22,-0.2 -22,-0.2 -24,-0.0 -0.837 36.7 159.7 -89.8 128.7 59.2 29.1 19.1 140 799 A A E - D 0 116B 0 -24,-2.2 -24,-2.5 -2,-0.5 2,-0.3 -0.996 34.1-121.2-151.4 146.7 57.1 30.9 21.7 141 800 A P E - D 0 115B 24 0, 0.0 23,-2.3 0, 0.0 2,-0.3 -0.622 29.1-109.3 -88.9 151.4 54.1 30.3 24.0 142 801 A I B -F 163 0B 10 -28,-2.2 -29,-2.9 -31,-0.3 21,-0.3 -0.567 37.9-137.4 -67.6 136.9 50.8 32.1 24.1 143 802 A L - 0 0 26 19,-2.8 19,-0.4 -2,-0.3 -31,-0.1 -0.642 26.1 -90.1 -97.5 154.2 50.6 34.2 27.2 144 803 A S > - 0 0 46 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.258 31.0-122.6 -58.5 148.4 47.5 34.5 29.4 145 804 A D H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 113.3 55.7 -59.6 -37.4 45.1 37.3 28.6 146 805 A S H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 109.1 44.8 -65.1 -41.5 45.5 38.7 32.1 147 806 A S H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.891 113.8 51.9 -67.4 -35.2 49.4 39.0 31.6 148 807 A e H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.958 111.3 45.9 -60.8 -49.8 48.8 40.5 28.1 149 808 A K H < S+ 0 0 122 -4,-2.8 6,-0.2 1,-0.2 -2,-0.2 0.866 111.8 51.8 -63.6 -38.0 46.4 43.1 29.5 150 809 A S H < S+ 0 0 96 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.863 108.5 51.5 -65.9 -35.2 48.7 43.9 32.3 151 810 A A H < S+ 0 0 14 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.856 124.5 26.6 -67.8 -34.0 51.6 44.4 29.9 152 811 A Y S >X S- 0 0 2 -4,-1.7 3,-2.0 -5,-0.1 4,-0.6 -0.667 86.2-154.0-132.0 71.0 49.6 46.8 27.7 153 812 A P T 34 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.172 77.1 2.9 -55.2 135.0 47.0 48.5 29.9 154 813 A G T 34 S+ 0 0 92 -5,-0.1 -4,-0.1 2,-0.1 -5,-0.1 0.534 117.0 81.0 72.3 11.7 43.9 49.7 28.0 155 814 A Q T <4 + 0 0 87 -3,-2.0 2,-0.6 -6,-0.2 -1,-0.1 0.527 59.5 91.2-125.0 -14.7 45.1 48.3 24.7 156 815 A I < - 0 0 25 -4,-0.6 2,-0.2 -7,-0.1 -2,-0.1 -0.806 53.2-170.8 -96.7 117.4 44.4 44.5 24.4 157 816 A T > - 0 0 44 -2,-0.6 3,-1.7 1,-0.0 -2,-0.0 -0.470 43.2 -97.3 -94.9 174.2 41.0 43.7 22.9 158 817 A S T 3 S+ 0 0 93 1,-0.3 53,-0.1 -2,-0.2 -1,-0.0 0.560 123.3 62.9 -66.6 -8.4 39.2 40.3 22.6 159 818 A N T 3 S+ 0 0 25 51,-0.0 49,-2.5 48,-0.0 2,-0.3 0.187 98.6 67.8 -99.4 15.1 40.7 40.2 19.1 160 819 A M E < - G 0 207B 4 -3,-1.7 2,-0.3 47,-0.2 47,-0.2 -0.948 54.2-177.1-133.7 150.5 44.3 40.2 20.3 161 820 A F E - G 0 206B 9 45,-2.0 45,-2.9 -2,-0.3 2,-0.3 -0.975 21.6-127.4-141.3 157.8 46.6 37.8 22.2 162 821 A e E + G 0 205B 0 -19,-0.4 -19,-2.8 -2,-0.3 2,-0.3 -0.784 25.3 177.4 -99.6 147.6 50.2 38.1 23.4 163 822 A A E +FG 142 204B 0 41,-1.9 41,-0.8 -2,-0.3 2,-0.4 -0.988 38.0 47.2-144.9 151.3 52.9 35.5 22.8 164 823 A G S S- 0 0 3 -23,-2.3 2,-0.4 -2,-0.3 7,-0.1 -0.981 86.7 -38.6 127.3-140.9 56.5 35.4 23.7 165 824 A Y > - 0 0 40 5,-0.6 3,-1.9 -2,-0.4 5,-0.3 -0.983 27.4-151.9-141.3 118.1 58.6 36.0 26.8 166 825 A L T 3 S+ 0 0 57 -2,-0.4 35,-3.1 1,-0.3 36,-0.2 0.763 98.0 65.3 -66.3 -20.9 58.1 38.6 29.4 167 826 A E T 3 S- 0 0 117 33,-0.2 -1,-0.3 1,-0.2 33,-0.2 0.666 104.6-137.9 -69.2 -13.5 61.8 38.5 30.2 168 827 A G < + 0 0 13 -3,-1.9 31,-0.2 31,-0.3 -1,-0.2 -0.242 68.5 105.7 80.5-174.1 62.3 39.9 26.7 169 828 A G S S+ 0 0 41 29,-2.3 2,-0.4 28,-0.1 30,-0.1 0.109 77.6 65.0 93.1 -24.5 65.1 38.8 24.2 170 829 A K + 0 0 76 -5,-0.3 -5,-0.6 29,-0.1 2,-0.3 -0.976 67.0 110.9-140.7 117.4 62.8 36.8 21.9 171 830 A D B -A 2 0A 5 -169,-2.0 -169,-2.9 -2,-0.4 2,-0.2 -0.982 61.8 -87.1-168.4 169.5 60.1 38.4 19.8 172 831 A S - 0 0 10 -2,-0.3 26,-0.3 -171,-0.2 2,-0.3 -0.478 48.0-175.8 -81.7 165.9 58.8 39.4 16.4 173 832 A f > - 0 0 12 -2,-0.2 3,-2.7 24,-0.1 4,-0.4 -0.901 36.2 -35.6-155.0 179.4 59.8 42.8 15.1 174 833 A Q T 3 S+ 0 0 122 1,-0.3 -51,-2.7 -2,-0.3 -149,-0.1 -0.168 124.7 26.9 -49.0 131.1 59.4 45.3 12.2 175 834 A G T 3 S+ 0 0 6 -53,-0.3 -54,-0.5 -151,-0.2 -1,-0.3 0.115 100.1 85.2 93.8 -13.9 59.0 43.5 8.9 176 835 A D X + 0 0 0 -3,-2.7 3,-2.3 -56,-0.2 15,-0.3 0.651 62.6 130.0 -82.1 -18.6 57.5 40.4 10.5 177 836 A S T 3 S+ 0 0 23 -4,-0.4 -151,-2.9 1,-0.3 15,-0.2 -0.010 70.0 17.5 -34.9 131.9 54.1 42.2 10.3 178 837 A G T 3 S+ 0 0 0 13,-2.6 -1,-0.3 1,-0.3 -150,-0.2 0.215 98.3 124.1 87.0 -13.4 51.4 40.1 8.8 179 838 A G < - 0 0 0 -3,-2.3 12,-2.3 1,-0.1 -1,-0.3 -0.109 60.3 -75.0 -80.2 178.6 53.1 36.8 9.2 180 839 A P E - H 0 190B 0 0, 0.0 -61,-1.2 0, 0.0 2,-0.4 -0.398 20.4-170.1 -84.2 149.7 52.1 33.6 10.9 181 840 A V E -EH 118 189B 0 8,-2.0 8,-2.0 -63,-0.2 7,-1.8 -0.973 26.9-173.1-122.3 108.0 51.8 32.3 14.4 182 841 A V E -EH 117 187B 13 -65,-2.4 -65,-2.7 -2,-0.4 2,-0.4 -0.914 9.8-177.5-113.2 132.3 51.1 28.6 13.9 183 842 A d E > S- H 0 186B 4 3,-2.5 3,-1.6 -2,-0.4 -67,-0.2 -0.990 72.0 -17.6-133.6 118.8 50.3 26.3 16.8 184 843 A S T 3 S- 0 0 113 -69,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.853 130.0 -49.1 51.4 39.4 49.8 22.5 16.3 185 844 A G T 3 S+ 0 0 39 1,-0.2 -81,-0.7 -79,-0.0 2,-0.4 0.577 117.3 109.7 83.2 10.5 49.4 22.9 12.6 186 845 A K E < S-cH 104 183B 70 -3,-1.6 -3,-2.5 -83,-0.1 2,-1.1 -0.942 72.1-122.9-123.0 139.1 46.8 25.8 12.8 187 846 A L E + H 0 182B 0 -83,-2.7 -5,-0.2 -2,-0.4 3,-0.1 -0.650 44.1 157.8 -78.3 101.0 47.1 29.5 12.0 188 847 A Q E + 0 0 14 -7,-1.8 21,-1.7 -2,-1.1 22,-0.5 0.704 55.4 27.9 -99.1 -22.8 46.2 31.0 15.4 189 848 A G E -IH 208 181B 0 -8,-2.0 -8,-2.0 19,-0.2 2,-0.4 -0.946 53.0-150.0-141.5 161.6 47.9 34.5 15.1 190 849 A I E -IH 207 180B 0 17,-0.8 17,-2.3 -2,-0.3 2,-0.3 -0.997 41.0-105.1-126.1 131.6 49.0 37.2 12.8 191 850 A V E +I 206 0B 6 -12,-2.3 -13,-2.6 -2,-0.4 15,-0.2 -0.417 57.4 154.4 -57.1 117.2 52.0 39.4 13.7 192 851 A S E - 0 0 6 13,-1.8 2,-0.3 1,-0.3 14,-0.2 0.823 44.0 -41.6-117.3 -65.6 50.3 42.7 14.6 193 852 A W E +I 205 0B 48 12,-2.0 12,-3.0 -19,-0.0 -1,-0.3 -0.964 43.0 164.6-161.3 173.6 52.1 45.1 17.0 194 853 A G - 0 0 32 -2,-0.3 2,-0.8 10,-0.2 10,-0.1 -0.952 49.4 -82.0-177.9 178.7 54.1 45.6 20.2 195 854 A S S S- 0 0 62 8,-0.3 4,-0.4 -2,-0.3 7,-0.0 -0.868 93.3 -48.9 -98.5 106.3 56.2 48.2 22.0 196 855 A G S S- 0 0 54 -2,-0.8 2,-0.4 2,-0.1 -69,-0.1 -0.266 90.5 -69.5 55.4-152.9 59.6 47.9 20.3 197 856 A f S S- 0 0 18 -71,-0.4 -24,-0.1 1,-0.1 -28,-0.1 -0.999 101.2 -2.6-139.2 132.7 60.8 44.4 20.0 198 857 A A S S+ 0 0 8 -2,-0.4 -29,-2.3 -26,-0.3 2,-0.2 0.698 84.9 153.6 64.5 23.9 62.0 41.9 22.6 199 858 A Q B > -P 202 0D 80 3,-0.5 3,-2.0 -4,-0.4 -31,-0.3 -0.554 53.8 -93.9 -86.1 147.2 61.7 44.4 25.4 200 859 A K T 3 S+ 0 0 126 1,-0.3 -33,-0.2 -33,-0.2 -34,-0.1 -0.315 109.6 5.9 -56.8 135.8 61.1 43.2 29.0 201 860 A N T 3 S+ 0 0 83 -35,-3.1 -1,-0.3 -36,-0.1 -35,-0.1 0.573 110.5 95.9 66.4 15.1 57.4 43.1 29.9 202 861 A K B < +P 199 0D 58 -3,-2.0 -3,-0.5 -37,-0.2 -4,-0.3 -0.596 52.9 176.0-136.1 70.7 56.4 44.0 26.2 203 862 A P - 0 0 4 0, 0.0 -8,-0.3 0, 0.0 -39,-0.2 -0.264 41.0 -83.2 -71.0 164.8 55.6 40.7 24.4 204 863 A G E -G 163 0B 2 -41,-0.8 -41,-1.9 -10,-0.1 2,-0.4 -0.344 38.3-138.4 -66.4 149.1 54.4 40.7 20.9 205 864 A V E -GI 162 193B 0 -12,-3.0 -12,-2.0 -43,-0.2 -13,-1.8 -0.906 21.6-168.9-113.2 137.2 50.7 41.2 20.2 206 865 A Y E -GI 161 191B 0 -45,-2.9 -45,-2.0 -2,-0.4 2,-0.2 -0.943 28.3-105.7-132.4 144.0 48.9 39.1 17.6 207 866 A T E -GI 160 190B 3 -17,-2.3 2,-1.3 -2,-0.3 -17,-0.8 -0.524 36.7-123.3 -70.9 135.0 45.6 39.1 15.8 208 867 A K E > - I 0 189B 42 -49,-2.5 3,-1.8 -2,-0.2 4,-0.2 -0.628 28.6-172.2 -87.1 89.3 43.4 36.3 17.2 209 868 A V G > S+ 0 0 0 -21,-1.7 3,-2.6 -2,-1.3 4,-0.4 0.789 73.4 71.0 -57.4 -35.2 42.7 34.4 14.0 210 869 A c G > S+ 0 0 21 -22,-0.5 3,-0.7 1,-0.3 4,-0.3 0.799 93.0 59.3 -57.6 -25.8 40.1 32.0 15.5 211 870 A N G < S+ 0 0 71 -3,-1.8 -1,-0.3 1,-0.2 4,-0.2 0.633 107.5 46.8 -72.5 -13.7 37.7 34.9 15.8 212 871 A Y G <> S+ 0 0 6 -3,-2.6 4,-2.9 -4,-0.2 -1,-0.2 0.340 76.2 102.0-110.7 -1.1 37.8 35.5 12.1 213 872 A V H <> S+ 0 0 23 -3,-0.7 4,-2.7 -4,-0.4 5,-0.2 0.887 84.1 49.8 -60.2 -40.9 37.4 32.0 10.6 214 873 A S H > S+ 0 0 99 -4,-0.3 4,-2.4 1,-0.2 5,-0.3 0.931 113.3 46.6 -64.0 -42.5 33.7 32.6 9.7 215 874 A W H > S+ 0 0 34 2,-0.2 4,-2.5 -4,-0.2 5,-0.2 0.917 113.0 50.0 -62.1 -43.8 34.5 35.9 8.0 216 875 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.952 112.8 46.0 -60.9 -47.9 37.5 34.3 6.1 217 876 A K H X S+ 0 0 131 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.914 115.6 44.2 -64.1 -44.6 35.4 31.4 4.9 218 877 A Q H X S+ 0 0 111 -4,-2.4 4,-0.9 -5,-0.2 -1,-0.2 0.886 112.5 52.5 -71.9 -34.2 32.5 33.4 3.7 219 878 A T H >< S+ 0 0 7 -4,-2.5 3,-0.9 -5,-0.3 4,-0.5 0.956 111.8 46.0 -63.7 -47.1 34.7 36.0 2.1 220 879 A I H >< S+ 0 0 36 -4,-2.7 3,-1.3 -5,-0.2 -2,-0.2 0.924 107.6 58.7 -59.8 -40.7 36.5 33.3 0.1 221 880 A A H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.707 115.6 33.9 -66.0 -21.1 33.2 31.7 -0.8 222 881 A S T << 0 0 96 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.220 360.0 360.0-119.2 12.6 32.0 34.9 -2.5 223 882 A N < 0 0 74 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.265 360.0 360.0-134.5 360.0 35.2 36.4 -3.9