==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-APR-12 4EP8 . COMPND 2 MOLECULE: UREASE SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTER AEROGENES; . AUTHOR M.WARKENTIN,R.BADEAU,J.B.HOPKINS,R.E.THORNE . 767 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 516 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 88 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 0.1 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 . 54 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.8 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 2 1 2 4 0 2 0 1 2 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 5 2 3 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 0 PARALLEL BRIDGES PER LADDER . 1 4 6 3 1 0 1 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 . 6 2 1 2 0 0 0 0 0 1 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 1002 C S 0 0 74 0, 0.0 581,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 171.8 4.6 -44.4 3.1 2 1003 C N E -A 581 0A 94 579,-0.2 2,-0.3 629,-0.0 579,-0.2 -0.788 360.0-164.6-109.2 156.2 5.7 -41.0 4.7 3 1004 C I E -A 580 0A 18 577,-2.0 577,-3.1 -2,-0.3 2,-0.1 -0.968 34.0-107.0-130.8 144.8 7.0 -39.9 8.1 4 1005 C S E > -A 579 0A 51 -2,-0.3 4,-2.4 575,-0.2 575,-0.3 -0.400 26.5-121.7 -68.6 153.8 7.1 -36.3 9.3 5 1006 C R H > S+ 0 0 18 573,-2.5 4,-2.8 2,-0.2 5,-0.2 0.865 113.2 54.5 -66.7 -33.3 10.6 -34.7 9.3 6 1007 C Q H > S+ 0 0 98 572,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.958 111.6 43.7 -63.7 -46.9 10.3 -34.0 13.1 7 1008 C A H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.879 113.6 52.2 -65.5 -36.6 9.5 -37.7 13.8 8 1009 C Y H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.4 0.952 109.9 48.2 -61.7 -50.1 12.3 -38.7 11.4 9 1010 C A H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.879 110.5 51.7 -60.0 -36.6 14.8 -36.4 13.2 10 1011 C D H < S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.860 117.3 39.2 -65.8 -37.3 13.8 -37.8 16.6 11 1012 C M H < S+ 0 0 60 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.813 135.7 12.2 -84.6 -36.6 14.3 -41.4 15.4 12 1013 C F H < S- 0 0 1 -4,-2.9 110,-0.3 1,-0.3 -3,-0.2 0.372 106.8-101.7-124.5 1.6 17.5 -41.1 13.2 13 1014 C G < - 0 0 2 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.1 -0.168 64.5 -36.9 88.5 167.3 19.0 -37.8 13.9 14 1015 C P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 108,-0.1 -0.145 58.1-160.4 -63.1 157.2 18.7 -34.7 11.6 15 1016 C T > - 0 0 0 1,-0.2 3,-2.7 -10,-0.1 16,-0.4 -0.660 44.5 -30.9-126.7-173.1 18.7 -34.9 7.8 16 1017 C V T 3 S+ 0 0 45 1,-0.3 16,-0.2 -2,-0.2 -1,-0.2 -0.095 128.2 10.8 -46.9 124.1 19.3 -32.6 4.8 17 1018 C G T 3 S+ 0 0 5 14,-2.3 -1,-0.3 1,-0.4 2,-0.1 0.161 94.9 122.6 93.0 -12.5 18.3 -29.1 5.6 18 1019 C D < - 0 0 0 -3,-2.7 13,-2.4 557,-0.1 -1,-0.4 -0.494 51.2-143.2 -78.2 151.1 17.7 -29.5 9.3 19 1020 C K E -BC 30 574B 34 555,-2.3 555,-2.6 11,-0.2 2,-0.4 -0.868 10.6-161.2-118.8 152.2 19.8 -27.3 11.6 20 1021 C V E -BC 29 573B 1 9,-2.4 9,-2.5 -2,-0.3 2,-0.3 -0.997 18.2-129.9-133.7 130.9 21.5 -27.9 15.0 21 1022 C R E -B 28 0B 19 551,-2.8 2,-0.8 -2,-0.4 7,-0.2 -0.589 26.3-124.8 -77.6 133.8 22.7 -25.4 17.6 22 1023 C L > - 0 0 0 5,-2.8 3,-2.3 -2,-0.3 5,-0.4 -0.741 62.6 -63.1 -82.7 109.3 26.3 -26.1 18.7 23 1024 C A T 3 S- 0 0 0 413,-2.1 548,-2.1 -2,-0.8 549,-0.3 -0.193 106.1 -32.8 48.9-131.8 26.0 -26.4 22.5 24 1025 C D T 3 S+ 0 0 9 546,-0.2 -1,-0.3 415,-0.2 2,-0.1 0.068 112.1 109.5-104.7 20.9 24.8 -23.1 24.0 25 1026 C T S < S- 0 0 0 -3,-2.3 546,-0.1 2,-0.2 350,-0.1 -0.322 81.5-113.7 -83.3 179.8 26.5 -20.9 21.3 26 1027 C E S S+ 0 0 82 -5,-0.1 2,-0.4 -2,-0.1 -3,-0.1 0.238 80.4 117.0 -95.2 7.8 24.8 -18.9 18.6 27 1028 C L - 0 0 0 -5,-0.4 -5,-2.8 347,-0.1 2,-0.4 -0.680 45.0-170.2 -82.5 132.8 26.4 -21.2 16.0 28 1029 C W E -B 21 0B 48 -2,-0.4 367,-2.7 -7,-0.2 2,-0.3 -0.976 6.7-159.1-125.4 130.0 24.1 -23.4 13.8 29 1030 C I E -B 20 0B 1 -9,-2.5 -9,-2.4 -2,-0.4 2,-0.4 -0.818 8.1-150.6-100.5 152.8 25.1 -26.2 11.5 30 1031 C E E -B 19 0B 45 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.979 24.6-113.9-124.0 130.8 22.9 -27.4 8.6 31 1032 C V - 0 0 1 -13,-2.4 -14,-2.3 -2,-0.4 50,-0.2 -0.503 31.8-173.0 -64.2 118.8 22.9 -30.9 7.3 32 1033 C E - 0 0 70 48,-2.9 2,-0.3 -2,-0.4 49,-0.2 0.769 62.5 -3.7 -86.5 -31.9 24.3 -30.6 3.8 33 1034 C D E -d 81 0C 90 47,-0.6 49,-2.7 -17,-0.0 2,-0.4 -0.967 55.2-147.7-157.5 159.8 23.9 -34.2 2.5 34 1035 C D E -d 82 0C 17 -2,-0.3 49,-0.2 47,-0.2 -19,-0.0 -0.962 3.8-159.0-140.0 120.7 22.7 -37.5 3.8 35 1036 C L + 0 0 69 47,-2.8 48,-0.1 -2,-0.4 -1,-0.0 0.434 60.7 101.5 -82.1 2.2 24.2 -40.7 2.5 36 1037 C T S S- 0 0 25 46,-0.2 2,-0.5 61,-0.0 -2,-0.1 -0.215 72.2-126.2 -79.2 172.8 21.3 -43.0 3.5 37 1038 C T > - 0 0 38 68,-0.1 3,-2.7 546,-0.0 4,-0.1 -0.999 43.8-111.3-112.7 111.9 18.4 -44.4 1.4 38 1039 C Y T 3 S+ 0 0 67 -2,-0.5 545,-2.6 1,-0.3 546,-0.4 -0.288 104.3 24.3 -55.4 125.0 15.3 -43.3 3.4 39 1040 C G T 3 S+ 0 0 0 543,-0.3 -1,-0.3 544,-0.1 591,-0.1 0.114 111.2 76.1 104.6 -16.0 13.6 -46.3 4.9 40 1041 C E < + 0 0 0 -3,-2.7 -2,-0.2 592,-0.1 542,-0.0 0.204 59.8 136.4-114.0 16.8 16.9 -48.3 4.9 41 1042 C E - 0 0 0 -4,-0.1 2,-0.5 1,-0.1 14,-0.0 -0.227 52.4-126.9 -58.1 146.1 18.7 -46.6 7.9 42 1043 C V + 0 0 0 -30,-0.1 2,-0.3 590,-0.1 -1,-0.1 -0.890 32.6 170.9-101.7 132.0 20.4 -49.1 10.3 43 1044 C K - 0 0 25 -2,-0.5 7,-1.8 2,-0.1 6,-1.0 -0.987 23.4-135.1-135.6 144.9 19.6 -48.9 14.0 44 1045 C F + 0 0 124 -2,-0.3 2,-0.3 5,-0.2 7,-0.1 -0.843 52.9 64.7-106.4 141.5 20.6 -51.4 16.7 45 1046 C G S > S- 0 0 20 -2,-0.4 3,-2.2 5,-0.2 2,-0.1 -0.887 84.5 -15.4 143.5-175.0 18.4 -52.8 19.4 46 1047 C G T 3 S- 0 0 78 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.369 131.5 -3.7 -60.3 123.5 15.4 -55.0 20.2 47 1048 C G T 3 S+ 0 0 24 1,-0.2 558,-0.4 -2,-0.1 -1,-0.3 0.578 110.4 133.4 69.6 9.1 13.4 -55.6 17.1 48 1049 C K < - 0 0 62 -3,-2.2 558,-0.2 556,-0.1 -4,-0.2 -0.003 69.6 -93.9 -87.3-169.6 15.7 -53.3 15.2 49 1050 C V S S+ 0 0 0 -6,-1.0 6,-3.2 1,-0.2 2,-1.9 0.837 101.2 76.1 -75.3 -40.8 17.6 -53.4 11.9 50 1051 C I S S+ 0 0 8 -7,-1.8 2,-0.3 5,-0.2 -5,-0.2 -0.532 71.3 117.1 -82.5 78.4 21.0 -54.8 12.8 51 1052 C R S > >S- 0 0 72 -2,-1.9 3,-2.4 -4,-0.1 5,-1.8 -0.950 75.3 -66.3-142.5 153.3 20.0 -58.4 13.2 52 1053 C D B 3 5S+n 56 0D 73 -2,-0.3 608,-0.3 1,-0.3 5,-0.2 -0.148 120.2 2.7 -48.7 126.0 20.9 -61.7 11.4 53 1054 C G T 3 5S+ 0 0 1 3,-1.9 -1,-0.3 1,-0.2 605,-0.2 0.290 127.9 68.7 80.7 -8.1 19.7 -61.8 7.8 54 1055 C M T < 5S- 0 0 9 -3,-2.4 49,-0.3 2,-0.4 -1,-0.2 0.494 124.4 -18.1-104.1-112.7 18.3 -58.3 8.1 55 1056 C G T 5S+ 0 0 0 -6,-3.2 2,-0.5 -7,-0.2 56,-0.3 0.522 131.3 70.2 -76.1 -6.0 20.7 -55.3 8.5 56 1057 C Q B - 0 0 129 52,-0.1 3,-1.8 53,-0.1 4,-0.2 -0.327 39.8 -98.0 -74.2 163.6 33.3 -63.3 7.0 61 1062 C A G > S+ 0 0 58 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.858 123.7 58.7 -54.1 -38.6 35.3 -60.8 9.1 62 1063 C A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.747 106.7 51.0 -63.6 -19.5 37.5 -59.9 6.2 63 1064 C D G < S+ 0 0 98 -3,-1.8 2,-0.3 2,-0.1 -1,-0.3 0.262 110.1 47.3-104.1 10.4 34.3 -58.8 4.3 64 1065 C C S < S- 0 0 1 -3,-1.6 47,-0.2 -4,-0.2 2,-0.1 -0.937 85.9 -96.1-144.7 165.7 32.8 -56.5 6.9 65 1066 C V - 0 0 0 45,-2.3 47,-0.4 -2,-0.3 23,-0.2 -0.405 19.6-136.0 -80.0 159.7 33.8 -53.7 9.2 66 1067 C D S S+ 0 0 64 21,-1.8 50,-3.1 1,-0.3 2,-0.3 0.752 89.5 18.1 -82.7 -26.6 34.8 -54.2 12.8 67 1068 C L E -Ef 87 116C 10 20,-1.9 20,-2.8 48,-0.2 2,-0.4 -0.996 61.2-165.2-148.9 137.3 32.7 -51.2 14.0 68 1069 C V E -Ef 86 117C 0 48,-2.0 50,-2.6 -2,-0.3 2,-0.7 -0.998 10.0-155.4-123.8 131.3 29.9 -49.1 12.6 69 1070 C L E > -Ef 85 118C 0 16,-2.4 16,-2.2 -2,-0.4 3,-0.6 -0.954 30.1-144.0 -99.4 109.8 28.9 -45.6 14.0 70 1071 C T E 3 - f 0 119C 0 48,-2.5 50,-1.6 -2,-0.7 51,-0.2 -0.626 63.9 -6.1 -84.0 137.8 25.2 -45.5 12.8 71 1072 C N E 3 S+ 0 0 6 -2,-0.3 51,-0.5 1,-0.2 52,-0.4 0.868 83.1 178.3 56.1 41.0 23.5 -42.3 11.6 72 1073 C A E < -E 83 0C 0 11,-1.8 11,-2.6 -3,-0.6 2,-0.9 -0.524 30.7-140.5 -75.1 142.7 26.3 -40.0 12.5 73 1074 C L E -Eg 82 124C 4 50,-1.9 52,-2.5 47,-0.4 2,-0.3 -0.870 28.9-152.3 -99.0 99.8 26.1 -36.2 11.8 74 1075 C I E -Eg 81 125C 0 7,-3.1 7,-1.4 -2,-0.9 2,-0.5 -0.603 16.5-171.5 -75.5 132.7 29.7 -35.7 10.7 75 1076 C V E +E 80 0C 0 50,-2.3 52,-0.4 -2,-0.3 2,-0.3 -0.980 30.3 138.1-120.2 111.9 31.2 -32.2 11.2 76 1077 C D E > -E 79 0C 0 3,-2.2 3,-1.4 -2,-0.5 328,-0.1 -0.922 68.6 -92.7-146.3 171.8 34.6 -32.1 9.4 77 1078 C H T 3 S+ 0 0 28 -2,-0.3 3,-0.1 1,-0.3 323,-0.1 0.773 123.2 49.0 -59.0 -27.9 36.6 -29.6 7.2 78 1079 C W T 3 S- 0 0 93 1,-0.2 2,-0.3 322,-0.0 -1,-0.3 0.490 122.3 -27.1 -91.2 -13.0 35.1 -31.2 4.0 79 1080 C G E < - E 0 76C 1 -3,-1.4 -3,-2.2 317,-0.1 2,-0.6 -0.927 41.5-117.4 172.0 164.8 31.4 -31.3 5.0 80 1081 C I E + E 0 75C 0 -2,-0.3 -48,-2.9 -5,-0.2 -47,-0.6 -0.958 59.2 159.8-122.1 92.6 28.5 -31.4 7.5 81 1082 C V E -dE 33 74C 15 -7,-1.4 -7,-3.1 -2,-0.6 2,-0.5 -0.973 44.2-130.5-129.6 143.5 27.0 -34.7 6.4 82 1083 C K E +dE 34 73C 2 -49,-2.7 -47,-2.8 -2,-0.4 2,-0.3 -0.785 51.8 130.6 -88.9 126.4 24.8 -37.4 7.7 83 1084 C A E - E 0 72C 3 -11,-2.6 -11,-1.8 -2,-0.5 2,-0.3 -0.991 58.0-102.7-165.4 163.0 26.3 -40.9 7.2 84 1085 C D E -H 96 0C 5 12,-2.8 12,-2.7 -2,-0.3 2,-0.5 -0.711 36.9-145.7 -86.9 148.8 27.2 -44.2 8.7 85 1086 C I E -HE 95 69C 0 -16,-2.2 -16,-2.4 -2,-0.3 2,-0.4 -0.983 7.6-156.3-119.5 127.5 31.0 -44.6 9.5 86 1087 C G E -HE 94 68C 0 8,-2.8 7,-2.7 -2,-0.5 8,-1.2 -0.860 6.0-167.3-105.3 138.4 32.7 -47.9 9.1 87 1088 C V E +HE 92 67C 3 -20,-2.8 -20,-1.9 -2,-0.4 -21,-1.8 -0.983 10.6 171.3-123.2 135.6 36.0 -48.7 11.0 88 1089 C K E > -H 91 0C 39 3,-2.7 3,-1.9 -2,-0.4 -23,-0.1 -0.991 66.4 -0.3-150.1 131.1 38.1 -51.7 10.1 89 1090 C D T 3 S- 0 0 129 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.829 129.4 -58.7 56.9 35.4 41.6 -52.7 11.4 90 1091 C G T 3 S+ 0 0 16 1,-0.2 339,-2.8 360,-0.1 -1,-0.3 0.464 120.0 100.5 77.3 3.0 41.7 -49.6 13.6 91 1092 C R E < S-HI 88 428C 81 -3,-1.9 -3,-2.7 337,-0.3 2,-0.5 -0.786 85.8 -91.8-120.4 159.1 41.2 -47.3 10.5 92 1093 C I E -H 87 0C 3 335,-2.9 334,-2.9 332,-0.4 -5,-0.3 -0.605 40.1-179.0 -72.5 115.3 38.4 -45.4 8.8 93 1094 C F E - 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0 0 2 -4,-2.2 3,-0.5 548,-0.2 550,-0.2 -0.908 69.6-123.8-116.0 150.1 19.4 -53.8 1.4 105 1106 C P S S+ 0 0 22 0, 0.0 -68,-0.1 0, 0.0 -5,-0.1 -0.460 82.4 11.1 -86.6 159.5 20.2 -51.3 -1.4 106 1107 C N S S+ 0 0 113 1,-0.2 2,-0.4 -2,-0.1 -9,-0.2 0.719 75.5 171.7 53.4 31.9 23.4 -49.1 -1.8 107 1108 C V + 0 0 30 -3,-0.5 -9,-0.2 1,-0.2 -1,-0.2 -0.592 15.9 159.4 -78.0 123.9 25.4 -50.7 1.0 108 1109 C T + 0 0 77 -11,-2.9 -10,-0.2 -2,-0.4 -1,-0.2 0.446 69.6 55.4-116.4 -8.5 29.0 -49.5 1.2 109 1110 C I E S-o 98 0E 0 -12,-1.9 -10,-2.2 -24,-0.0 2,-0.2 -0.881 81.5-150.6-126.2 91.4 29.7 -50.5 4.8 110 1111 C P E -o 99 0E 24 0, 0.0 -45,-2.3 0, 0.0 2,-0.5 -0.509 5.3-155.2 -71.2 134.1 29.0 -54.2 5.3 111 1112 C I + 0 0 0 -12,-2.1 -54,-3.1 -56,-0.3 -52,-0.2 -0.949 25.3 157.2-106.5 128.3 27.8 -55.3 8.8 112 1113 C G > - 0 0 0 -2,-0.5 3,-1.9 -47,-0.4 -54,-0.1 -0.612 60.2 -71.8-134.5-168.8 28.4 -58.9 9.8 113 1114 C A T 3 S+ 0 0 86 -54,-0.5 -53,-0.1 -56,-0.3 -55,-0.1 0.844 129.1 57.4 -56.9 -36.1 28.8 -61.1 12.8 114 1115 C A T 3 S+ 0 0 43 -55,-0.3 2,-0.6 2,-0.0 -1,-0.3 0.306 87.0 104.6 -80.7 9.9 32.2 -59.5 13.4 115 1116 C T < - 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0 0 82 -5,-2.0 2,-0.6 1,-0.1 -1,-0.3 -0.518 52.8-116.6 -78.1 150.4 22.4 -18.6 42.5 698 3029 A K - 0 0 125 -2,-0.2 40,-0.3 40,-0.1 39,-0.1 -0.755 42.9-124.5 -78.5 121.3 20.6 -20.2 39.5 699 3030 A L B -g 738 0N 0 38,-2.7 40,-2.7 -2,-0.6 43,-0.1 -0.317 19.0-136.5 -73.4 155.3 22.3 -23.6 39.4 700 3031 A N > - 0 0 7 38,-0.2 4,-2.1 -136,-0.1 5,-0.2 -0.190 36.8 -78.8 -97.5-169.5 24.0 -25.0 36.4 701 3032 A Y H > S+ 0 0 56 -139,-2.3 4,-2.3 2,-0.2 5,-0.2 0.971 124.9 36.9 -59.9 -61.2 23.9 -28.5 34.8 702 3033 A P H > S+ 0 0 20 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.896 117.1 53.5 -64.3 -34.4 26.3 -30.6 37.0 703 3034 A E H > S+ 0 0 13 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.918 110.6 46.8 -61.2 -44.8 25.2 -28.8 40.2 704 3035 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.917 113.0 47.9 -64.6 -44.8 21.5 -29.6 39.4 705 3036 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 114.7 47.0 -61.9 -46.1 22.2 -33.3 38.7 706 3037 A A H X S+ 0 0 4 -4,-2.6 4,-2.6 -5,-0.2 -20,-0.3 0.929 111.3 51.0 -61.0 -45.7 24.3 -33.6 41.9 707 3038 A L H X S+ 0 0 19 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.934 115.0 40.2 -61.9 -48.8 21.8 -31.9 44.1 708 3039 A I H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.922 115.0 52.5 -69.3 -40.3 18.8 -34.0 43.0 709 3040 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.912 110.8 47.0 -60.2 -43.2 20.8 -37.2 42.9 710 3041 A A H X S+ 0 0 10 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.874 107.6 56.8 -68.6 -35.3 22.1 -36.7 46.5 711 3042 A F H X S+ 0 0 74 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.907 107.9 49.0 -58.7 -44.0 18.6 -35.9 47.7 712 3043 A I H X S+ 0 0 1 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.905 107.4 53.9 -64.3 -44.1 17.4 -39.3 46.4 713 3044 A M H X S+ 0 0 21 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.872 109.8 48.0 -58.8 -39.1 20.3 -41.1 48.1 714 3045 A E H X S+ 0 0 91 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.876 109.1 53.3 -68.8 -37.2 19.3 -39.6 51.4 715 3046 A G H X>S+ 0 0 5 -4,-2.0 5,-2.3 2,-0.2 4,-0.5 0.898 109.2 49.3 -63.0 -37.9 15.6 -40.5 50.9 716 3047 A A H ><5S+ 0 0 0 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.914 108.7 52.5 -66.5 -41.6 16.7 -44.2 50.2 717 3048 A R H 3<5S+ 0 0 190 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.886 107.0 54.5 -60.4 -33.6 18.8 -44.1 53.5 718 3049 A D H 3<5S- 0 0 124 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.584 121.7-109.2 -73.1 -15.4 15.6 -42.8 55.3 719 3050 A G T <<5 + 0 0 38 -3,-1.2 -3,-0.2 -4,-0.5 -2,-0.1 0.607 62.4 156.5 92.2 17.5 13.6 -45.8 54.0 720 3051 A K < - 0 0 81 -5,-2.3 -1,-0.2 1,-0.1 2,-0.1 -0.306 45.9-103.8 -67.7 157.5 11.4 -44.0 51.4 721 3052 A S > - 0 0 56 1,-0.1 4,-2.3 34,-0.1 5,-0.2 -0.441 18.2-119.4 -81.2 160.1 10.0 -46.1 48.6 722 3053 A V H > S+ 0 0 41 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.953 117.1 52.1 -60.6 -46.2 11.4 -46.1 45.0 723 3054 A A H > S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.891 109.6 48.5 -58.2 -42.8 7.9 -44.9 43.8 724 3055 A S H >> S+ 0 0 50 1,-0.2 4,-3.0 2,-0.2 3,-0.5 0.908 112.2 48.1 -64.2 -44.5 7.8 -42.1 46.4 725 3056 A L H 3X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.829 101.2 63.0 -70.9 -26.9 11.3 -40.8 45.4 726 3057 A M H 3< S+ 0 0 72 -4,-2.2 39,-0.3 1,-0.2 -1,-0.2 0.836 115.8 35.3 -61.5 -31.1 10.5 -40.9 41.7 727 3058 A E H X< S+ 0 0 100 -4,-0.9 3,-1.8 -3,-0.5 -2,-0.2 0.904 115.4 52.1 -87.0 -47.5 7.9 -38.3 42.6 728 3059 A E H >< S+ 0 0 63 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.812 100.6 64.5 -58.4 -33.7 9.7 -36.4 45.4 729 3060 A G G >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.3 4,-0.3 0.658 91.3 64.8 -65.3 -18.0 12.7 -35.9 43.1 730 3061 A R G < S+ 0 0 76 -3,-1.8 39,-0.3 1,-0.2 -1,-0.3 0.466 98.9 55.4 -81.1 -4.4 10.6 -33.7 40.8 731 3062 A H G < S+ 0 0 134 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.1 0.045 81.8 84.9-117.5 26.0 10.2 -31.1 43.6 732 3063 A V S < S+ 0 0 30 -3,-0.6 2,-0.4 1,-0.3 -2,-0.1 0.841 99.4 17.2 -91.3 -44.5 13.8 -30.3 44.4 733 3064 A L - 0 0 1 34,-0.4 36,-0.4 -4,-0.3 -1,-0.3 -0.998 65.5-158.7-132.7 143.0 14.5 -27.7 41.8 734 3065 A T > - 0 0 44 -2,-0.4 3,-1.9 34,-0.2 4,-0.2 -0.678 39.8-100.6-110.2 167.7 12.3 -25.6 39.5 735 3066 A R G > S+ 0 0 106 1,-0.3 3,-1.4 -2,-0.2 7,-0.1 0.856 122.3 59.4 -55.8 -34.7 13.0 -23.9 36.2 736 3067 A E G 3 S+ 0 0 133 1,-0.3 -1,-0.3 -38,-0.0 4,-0.1 0.650 101.8 54.1 -68.8 -15.0 13.4 -20.5 38.2 737 3068 A Q G < S+ 0 0 65 -3,-1.9 -38,-2.7 -39,-0.1 2,-0.3 0.352 105.7 61.0 -99.6 -1.2 16.2 -22.0 40.3 738 3069 A V B < S-g 699 0N 5 -3,-1.4 -38,-0.2 -40,-0.3 3,-0.1 -0.914 88.0 -95.5-130.6 156.7 18.4 -23.1 37.3 739 3070 A M > - 0 0 41 -40,-2.7 3,-1.8 -2,-0.3 -2,-0.1 -0.177 59.8 -73.7 -63.0 161.5 20.1 -21.5 34.4 740 3071 A E T 3 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 -171,-0.1 -0.263 119.2 14.3 -55.1 137.8 18.5 -21.3 30.9 741 3072 A G T 3> S+ 0 0 3 -3,-0.1 4,-1.8 -172,-0.1 -1,-0.2 0.167 92.1 110.8 82.5 -15.8 18.4 -24.7 29.1 742 3073 A V H <> S+ 0 0 0 -3,-1.8 4,-1.0 1,-0.2 3,-0.2 0.910 75.4 52.6 -60.2 -45.4 19.3 -26.7 32.2 743 3074 A P H >4 S+ 0 0 10 0, 0.0 3,-0.9 0, 0.0 25,-0.2 0.930 111.9 46.9 -56.2 -41.0 15.8 -28.3 32.4 744 3075 A E H 34 S+ 0 0 76 1,-0.2 -2,-0.2 3,-0.1 -175,-0.1 0.813 108.0 56.4 -68.8 -29.4 16.1 -29.4 28.8 745 3076 A M H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 1,-0.2 -3,-0.1 0.652 106.9 54.5 -73.3 -16.6 19.7 -30.7 29.5 746 3077 A I << + 0 0 3 -4,-1.0 22,-0.4 -3,-0.9 -1,-0.2 -0.668 55.2 160.5-120.8 78.5 18.2 -33.0 32.2 747 3078 A P S S- 0 0 74 0, 0.0 19,-2.9 0, 0.0 2,-0.3 0.756 79.0 -7.1 -69.0 -23.9 15.4 -35.1 30.8 748 3079 A D E -H 765 0O 63 17,-0.2 2,-0.4 18,-0.2 17,-0.2 -0.967 60.7-139.0-158.0 164.4 15.8 -37.4 33.8 749 3080 A I E -H 764 0O 2 15,-1.9 15,-3.2 -2,-0.3 2,-0.4 -0.993 22.2-169.8-126.1 135.1 18.1 -38.0 36.8 750 3081 A Q E +H 763 0O 23 -2,-0.4 -282,-2.8 -284,-0.3 2,-0.3 -0.987 14.6 153.6-127.9 138.3 19.1 -41.6 37.8 751 3082 A V E -H 762 0O 1 11,-1.9 11,-2.6 -2,-0.4 2,-0.3 -0.975 26.3-144.6-158.0 146.6 20.8 -42.8 40.9 752 3083 A E E +H 761 0O 13 -284,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.871 23.0 166.3-110.4 154.0 21.0 -46.0 42.9 753 3084 A A E -H 760 0O 13 7,-1.5 7,-2.0 -2,-0.3 2,-0.9 -0.959 45.5 -86.1-155.6 167.1 21.3 -46.3 46.7 754 3085 A T E -H 759 0O 101 -2,-0.3 5,-0.3 5,-0.2 -2,-0.0 -0.731 45.8-172.8 -83.9 105.9 20.9 -48.9 49.4 755 3086 A F E > -H 758 0O 8 3,-2.5 3,-2.1 -2,-0.9 -38,-0.1 -0.395 47.4 -92.9 -82.5 171.6 17.2 -49.0 50.4 756 3087 A P T 3 S+ 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.850 132.7 48.9 -56.8 -25.8 16.1 -51.1 53.4 757 3088 A D T 3 S- 0 0 111 1,-0.4 2,-0.1 -38,-0.0 -3,-0.0 -0.055 126.3 -91.6-104.7 32.7 15.5 -53.9 50.8 758 3089 A G E < S-H 755 0O 30 -3,-2.1 -3,-2.5 2,-0.1 -1,-0.4 -0.322 73.5 -16.4 90.6-176.0 18.9 -53.5 49.0 759 3090 A S E +H 754 0O 60 -5,-0.3 2,-0.3 -2,-0.1 -5,-0.2 -0.433 65.1 174.8 -63.7 135.7 20.2 -51.4 46.1 760 3091 A K E -H 753 0O 84 -7,-2.0 -7,-1.5 -2,-0.1 2,-0.4 -0.985 29.0-120.3-139.0 156.0 17.5 -50.0 43.8 761 3092 A L E -H 752 0O 49 -2,-0.3 2,-0.5 -9,-0.2 -9,-0.2 -0.782 20.9-166.2 -94.0 130.0 17.4 -47.6 40.9 762 3093 A V E -H 751 0O 1 -11,-2.6 -11,-1.9 -2,-0.4 2,-0.5 -0.978 2.2-170.6-112.4 122.4 15.4 -44.4 41.1 763 3094 A T E -H 750 0O 19 -2,-0.5 2,-0.7 -13,-0.2 -13,-0.2 -0.975 6.8-159.9-110.8 121.9 14.8 -42.6 37.8 764 3095 A V E -H 749 0O 0 -15,-3.2 -15,-1.9 -2,-0.5 2,-0.3 -0.910 15.4-147.7 -99.2 113.0 13.3 -39.1 38.2 765 3096 A H E S-H 748 0O 106 -2,-0.7 -17,-0.2 -39,-0.3 -2,-0.0 -0.635 71.2 -11.0 -85.6 138.5 11.6 -38.2 34.9 766 3097 A N S S+ 0 0 99 -19,-2.9 -1,-0.2 -2,-0.3 -18,-0.2 0.903 79.0 179.4 41.7 59.6 11.5 -34.4 33.8 767 3098 A P + 0 0 1 0, 0.0 2,-0.5 0, 0.0 -34,-0.4 0.745 57.9 54.6 -66.3 -26.0 12.7 -33.4 37.2 768 3099 A I 0 0 6 -22,-0.4 -34,-0.2 -25,-0.2 -22,-0.1 -0.956 360.0 360.0-118.0 116.2 12.9 -29.6 36.6 769 3100 A I 0 0 129 -2,-0.5 -35,-0.2 -36,-0.4 -1,-0.1 0.396 360.0 360.0-128.1 360.0 9.8 -27.7 35.3