==== 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 PHOSPHOTRANSFERASE 03-SEP-98 1GLJ . COMPND 2 MOLECULE: GLYCEROL KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR C.E.BYSTROM,D.W.PETTIGREW,B.P.BRANCHAUD,S.J.REMINGTON . 988 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 754 76.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 83 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.7 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 4 2 3 3 7 1 2 2 0 0 1 1 0 1 1 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 6 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 0 0 PARALLEL BRIDGES PER LADDER . 8 5 3 4 4 5 2 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 . 4 0 1 0 4 1 1 0 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 2 Y E 0 0 227 0, 0.0 2,-0.7 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0-103.7 67.6 80.2 9.6 2 3 Y K + 0 0 107 1,-0.2 71,-0.2 71,-0.0 70,-0.2 -0.886 360.0 163.3-102.1 109.3 64.4 78.0 9.4 3 4 Y K + 0 0 109 69,-1.6 2,-0.3 -2,-0.7 70,-0.2 0.609 46.5 61.6-101.2 -21.3 65.3 74.6 8.2 4 5 Y Y E -a 73 0A 28 68,-3.8 70,-4.2 17,-0.1 2,-0.4 -0.683 50.8-150.9-125.0 175.5 62.4 72.4 9.0 5 6 Y I E - B 0 20A 0 15,-1.8 15,-2.1 -2,-0.3 2,-0.5 -0.994 16.7-145.0-137.3 135.0 58.9 71.5 8.9 6 7 Y V E -aB 76 19A 4 69,-1.8 71,-2.8 -2,-0.4 2,-0.4 -0.911 3.4-156.3-108.9 129.2 56.6 69.8 11.3 7 8 Y A E -aB 77 18A 1 11,-3.3 11,-2.2 -2,-0.5 2,-0.6 -0.775 7.8-157.5 -99.6 136.9 53.8 67.3 10.6 8 9 Y L E -aB 78 17A 6 69,-1.4 71,-2.9 -2,-0.4 2,-0.5 -0.968 10.3-174.1-117.4 116.2 51.1 67.0 13.2 9 10 Y D E -aB 79 16A 19 7,-2.6 7,-2.7 -2,-0.6 2,-0.9 -0.917 9.3-173.3-121.0 108.0 49.2 63.7 13.1 10 11 Y Q E -aB 80 15A 3 69,-3.0 71,-1.8 -2,-0.5 5,-0.2 -0.812 25.5-177.3 -95.7 96.1 46.2 63.2 15.4 11 12 Y G - 0 0 11 3,-2.4 69,-0.0 -2,-0.9 -2,-0.0 -0.375 42.1 -96.2-100.3 174.1 45.2 59.6 14.9 12 13 Y T S S+ 0 0 12 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 0.802 120.4 12.7 -54.4 -34.1 42.6 57.2 16.0 13 14 Y T S S+ 0 0 16 1,-0.3 21,-1.5 23,-0.0 2,-0.3 0.464 128.6 24.3-126.9 -3.6 44.7 55.8 18.8 14 15 Y S B -F 33 0B 20 19,-0.2 -3,-2.4 2,-0.0 2,-0.3 -0.992 62.6-124.3-160.4 155.3 47.6 58.1 19.2 15 16 Y S E -B 10 0A 0 17,-3.3 17,-0.4 -2,-0.3 2,-0.4 -0.711 33.3-166.9 -92.3 145.6 48.9 61.6 18.7 16 17 Y R E -B 9 0A 40 -7,-2.7 -7,-2.6 -2,-0.3 2,-0.4 -0.985 18.0-165.5-138.6 154.2 52.0 62.1 16.7 17 18 Y A E -BC 8 30A 0 13,-1.8 13,-2.2 -2,-0.4 2,-0.4 -0.986 15.2-173.3-130.6 132.5 54.6 64.8 15.9 18 19 Y V E -BC 7 29A 2 -11,-2.2 -11,-3.3 -2,-0.4 2,-0.4 -0.996 8.6-154.7-137.1 136.2 57.1 64.5 13.0 19 20 Y V E -BC 6 28A 2 9,-3.0 8,-2.4 -2,-0.4 9,-0.6 -0.886 13.3-178.7-114.0 139.8 60.1 66.5 11.9 20 21 Y M E -BC 5 26A 2 -15,-2.1 -15,-1.8 -2,-0.4 6,-0.2 -0.985 16.4-143.9-140.8 148.3 61.7 66.9 8.5 21 22 Y D > - 0 0 19 4,-1.1 3,-1.3 -2,-0.4 -17,-0.1 -0.116 47.0 -86.2 -86.9-167.8 64.5 68.6 6.7 22 23 Y H T 3 S+ 0 0 77 1,-0.3 -18,-0.1 2,-0.2 -1,-0.1 0.762 129.8 53.9 -79.5 -19.1 64.5 69.9 3.3 23 24 Y D T 3 S- 0 0 120 2,-0.0 -1,-0.3 433,-0.0 0, 0.0 0.393 122.5-112.2 -91.5 6.8 65.4 66.8 1.7 24 25 Y A < + 0 0 3 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.976 60.0 160.9 61.7 64.4 62.4 65.6 3.6 25 26 Y N - 0 0 71 3,-0.0 2,-1.4 0, 0.0 -4,-1.1 -0.809 48.5-109.3-111.1 154.2 64.1 63.4 6.0 26 27 Y I E +C 20 0A 68 -2,-0.3 -6,-0.3 1,-0.2 3,-0.1 -0.667 38.1 174.8 -89.4 95.3 62.6 62.3 9.1 27 28 Y I E - 0 0 59 -8,-2.4 2,-0.3 -2,-1.4 -1,-0.2 0.993 61.7 -21.9 -61.4 -58.6 64.6 64.1 11.7 28 29 Y S E -C 19 0A 14 -9,-0.6 -9,-3.0 -3,-0.2 2,-0.4 -0.988 49.6-146.1-158.0 163.9 62.5 62.9 14.6 29 30 Y V E -C 18 0A 44 -2,-0.3 2,-0.2 -11,-0.2 -11,-0.2 -0.973 7.9-173.0-134.3 123.6 59.2 61.6 15.9 30 31 Y S E +C 17 0A 3 -13,-2.2 -13,-1.8 -2,-0.4 2,-0.1 -0.726 14.0 176.2-108.6 163.9 57.3 62.1 19.1 31 32 Y Q - 0 0 98 -2,-0.2 2,-0.4 -15,-0.2 -15,-0.2 -0.434 16.5-176.7-173.3 104.0 54.2 60.1 20.0 32 33 Y R - 0 0 94 22,-0.5 -17,-3.3 -17,-0.4 2,-0.2 -0.812 21.6-138.2-109.3 139.2 51.7 59.7 22.9 33 34 Y E B -F 14 0B 99 -2,-0.4 2,-0.3 -19,-0.3 -19,-0.2 -0.480 17.4-155.2 -81.1 155.1 48.8 57.1 23.0 34 35 Y F - 0 0 3 -21,-1.5 2,-0.1 -2,-0.2 17,-0.0 -0.967 23.8 -88.1-141.4 151.0 45.3 58.0 24.3 35 36 Y E - 0 0 122 -2,-0.3 2,-0.6 1,-0.1 12,-0.4 -0.330 28.1-140.1 -66.2 139.6 42.4 56.0 25.7 36 37 Y Q - 0 0 28 10,-0.1 2,-0.7 -2,-0.1 10,-0.2 -0.868 15.7-151.4-101.0 113.6 39.7 54.5 23.7 37 38 Y I B +G 45 0C 39 8,-2.3 8,-3.6 -2,-0.6 3,-0.1 -0.779 19.4 178.4 -99.8 119.1 36.3 54.7 25.1 38 39 Y Y + 0 0 57 -2,-0.7 6,-0.2 6,-0.2 -1,-0.0 -0.812 6.0 177.9-110.1 75.6 33.7 52.1 24.5 39 40 Y P S S- 0 0 63 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.816 76.0 -8.2 -51.5 -32.0 30.9 53.6 26.6 40 41 Y K S > S- 0 0 112 3,-0.3 3,-2.5 -3,-0.1 2,-0.2 -0.974 101.6 -67.4-165.1 147.0 28.8 50.7 25.4 41 42 Y P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 304,-0.0 -0.167 124.2 20.2 -43.2 108.4 29.3 48.0 22.8 42 43 Y G T 3 S+ 0 0 4 1,-0.4 63,-3.1 -2,-0.2 2,-0.4 0.439 106.9 108.0 105.2 2.3 29.4 49.5 19.2 43 44 Y W < - 0 0 57 -3,-2.5 -1,-0.4 61,-0.2 2,-0.4 -0.941 44.5-178.5-116.2 136.4 30.2 52.9 20.7 44 45 Y V + 0 0 2 -2,-0.4 57,-2.3 57,-0.2 60,-0.3 -0.970 5.4 167.1-142.6 124.0 33.5 54.7 20.7 45 46 Y E E -GH 37 100C 9 -8,-3.6 -8,-2.3 -2,-0.4 2,-0.3 -0.871 15.6-154.8-131.8 166.5 34.6 58.0 22.1 46 47 Y H E - H 0 99C 0 53,-1.7 53,-1.8 -2,-0.3 -10,-0.1 -0.919 29.0-110.1-131.8 160.2 37.6 60.0 22.7 47 48 Y D > - 0 0 55 -12,-0.4 4,-5.1 -2,-0.3 5,-0.1 -0.818 20.8-157.6 -96.3 98.8 38.6 62.7 25.2 48 49 Y P H > S+ 0 0 0 0, 0.0 4,-3.5 0, 0.0 -1,-0.2 0.780 97.7 49.6 -38.5 -40.0 38.9 65.8 23.1 49 50 Y M H > S+ 0 0 79 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.995 110.2 45.8 -66.7 -63.1 41.1 67.0 25.9 50 51 Y E H > S+ 0 0 60 2,-0.2 4,-1.8 1,-0.2 5,-0.3 0.910 114.3 52.4 -48.9 -36.2 43.2 63.9 26.1 51 52 Y I H X S+ 0 0 3 -4,-5.1 4,-2.4 2,-0.2 5,-0.2 0.975 113.6 42.6 -53.5 -69.3 43.3 64.3 22.4 52 53 Y W H >X S+ 0 0 56 -4,-3.5 4,-2.3 2,-0.2 3,-1.2 0.881 115.4 47.9 -30.2 -74.5 44.4 67.8 22.7 53 54 Y A H >X S+ 0 0 34 -4,-3.5 3,-1.8 1,-0.3 4,-1.6 0.917 114.1 43.7 -38.7 -72.9 46.8 67.2 25.4 54 55 Y T H 3X S+ 0 0 14 -4,-1.8 4,-1.0 1,-0.3 -22,-0.5 0.695 113.7 53.4 -53.2 -19.8 48.5 64.2 23.9 55 56 Y Q H S+ 0 0 69 -4,-1.0 5,-0.6 2,-0.2 4,-0.4 0.965 113.3 48.0 -39.6 -87.9 57.4 69.5 22.2 61 62 Y E H X5S+ 0 0 74 -4,-1.2 4,-3.4 1,-0.3 5,-0.4 0.806 109.7 51.9 -23.4 -81.8 59.2 66.3 22.5 62 63 Y V H <5S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -1,-0.3 0.820 119.6 39.0 -30.0 -60.0 59.9 66.1 18.8 63 64 Y L T >X5S+ 0 0 25 -4,-3.1 3,-3.8 -3,-0.3 4,-1.0 0.900 120.9 39.2 -47.8 -99.9 61.3 69.6 19.1 64 65 Y A T 345S+ 0 0 59 -4,-0.4 -1,-0.2 1,-0.3 -3,-0.2 0.609 111.0 58.9 -25.5 -26.6 63.1 69.4 22.3 65 66 Y K T 3<> - 0 0 46 -2,-0.2 3,-4.5 -3,-0.1 4,-0.5 -0.934 23.7-111.4-120.5 149.9 64.1 75.6 18.0 70 71 Y S G >4 S+ 0 0 23 -2,-0.4 3,-0.5 1,-0.3 159,-0.1 0.710 117.5 65.9 -39.3 -26.8 60.8 77.3 17.1 71 72 Y D G 34 S+ 0 0 89 1,-0.2 -1,-0.3 158,-0.1 161,-0.0 0.525 95.6 53.6 -75.0 -13.8 63.1 79.5 15.0 72 73 Y Q G <4 S+ 0 0 40 -3,-4.5 -68,-3.8 -70,-0.2 -69,-1.6 0.483 91.0 79.8-109.9 3.1 64.2 76.8 12.6 73 74 Y I E << -a 4 0A 7 -3,-0.5 -68,-0.2 -4,-0.5 3,-0.1 -0.888 59.4-155.5-113.9 141.6 61.0 75.4 11.3 74 75 Y A E - 0 0 6 -70,-4.2 -1,-0.2 -2,-0.5 -69,-0.2 0.938 61.2 -26.6 -62.8 -92.1 58.9 77.0 8.7 75 76 Y A E - 0 0 0 158,-0.2 -69,-1.8 -71,-0.1 2,-0.4 -0.299 56.5-106.0-111.0-165.7 55.4 75.8 9.2 76 77 Y I E -ad 6 235A 5 158,-1.5 160,-1.3 -71,-0.2 161,-0.7 -0.995 19.5-152.7-138.9 127.9 53.2 73.1 10.5 77 78 Y G E -ad 7 237A 0 -71,-2.8 -69,-1.4 -2,-0.4 2,-0.4 -0.573 11.9-149.0 -94.7 153.3 51.2 70.5 8.7 78 79 Y I E +ad 8 238A 5 159,-0.5 161,-1.5 361,-0.2 2,-0.3 -0.954 20.3 165.0-137.2 121.3 48.1 68.9 10.0 79 80 Y T E +ad 9 239A 0 -71,-2.9 -69,-3.0 -2,-0.4 2,-0.3 -0.976 14.5 170.1-129.5 142.4 46.5 65.3 9.6 80 81 Y N E -ad 10 240A 0 159,-1.1 161,-3.7 -2,-0.3 162,-0.2 -0.960 42.6 -77.8-150.4 167.1 43.9 63.7 11.5 81 82 Y Q - 0 0 1 -71,-1.8 83,-0.4 -2,-0.3 84,-0.3 -0.341 55.8-128.7 -64.5 134.6 41.4 60.9 12.0 82 83 Y R S S+ 0 0 4 1,-0.1 -1,-0.1 81,-0.1 -71,-0.0 0.611 78.0 21.7 -84.9 -12.0 38.7 61.7 9.7 83 84 Y E S S+ 0 0 2 52,-0.1 53,-0.3 2,-0.1 -1,-0.1 0.848 74.6 129.0-119.4 -16.7 35.2 61.7 10.9 84 85 Y T - 0 0 3 1,-0.1 80,-0.5 51,-0.1 2,-0.4 0.070 48.0-139.1 -38.5 129.8 35.3 62.2 14.6 85 86 Y T E -IJ 100 163C 1 15,-2.0 15,-2.2 78,-0.1 2,-0.4 -0.846 20.4-179.0-107.2 140.0 33.1 64.9 15.9 86 87 Y I E - J 0 162C 5 76,-2.1 76,-3.2 -2,-0.4 2,-0.4 -0.999 4.7-177.0-135.8 139.1 33.6 67.5 18.5 87 88 Y V E + J 0 161C 3 10,-0.6 9,-2.0 -2,-0.4 2,-0.4 -0.994 16.5 172.3-136.9 132.6 31.5 70.2 19.8 88 89 Y W E -KJ 95 160C 0 72,-2.8 72,-1.9 -2,-0.4 5,-0.1 -0.996 37.6 -99.9-149.5 153.3 32.5 72.7 22.4 89 90 Y E E > - J 0 159C 31 5,-3.7 4,-0.6 -2,-0.4 5,-0.5 -0.259 32.5-160.7 -59.5 137.1 31.8 75.8 24.3 90 91 Y K T 4 S+ 0 0 86 68,-1.5 3,-0.2 3,-0.2 -1,-0.1 0.926 84.2 44.6 -91.3 -73.0 33.6 78.8 22.9 91 92 Y E T 4 S+ 0 0 190 67,-0.3 68,-0.1 1,-0.3 -2,-0.0 0.909 130.0 33.8 -31.2 -64.6 33.9 81.5 25.4 92 93 Y T T 4 S- 0 0 73 2,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.713 100.2-139.0 -61.4 -34.1 34.9 78.7 27.7 93 94 Y G < + 0 0 11 -4,-0.6 -3,-0.2 1,-0.2 -2,-0.1 0.815 55.9 127.5 74.2 33.9 36.7 76.5 25.1 94 95 Y K - 0 0 106 -5,-0.5 -5,-3.7 2,-0.0 -1,-0.2 -0.966 61.3-109.7-135.1 141.1 35.4 73.2 26.4 95 96 Y P B -K 88 0C 21 0, 0.0 -7,-0.3 0, 0.0 3,-0.1 -0.286 10.0-159.1 -61.4 142.9 33.7 70.3 25.0 96 97 Y I S S+ 0 0 34 -9,-2.0 2,-0.2 1,-0.3 -8,-0.1 -0.010 82.4 11.7-110.8 23.2 30.2 69.7 25.8 97 98 Y Y S S- 0 0 71 -10,-0.3 -10,-0.6 50,-0.0 -1,-0.3 -0.575 89.8 -89.3 163.6 134.5 30.6 66.0 24.9 98 99 Y N - 0 0 51 -2,-0.2 -51,-0.2 1,-0.2 -13,-0.1 0.056 57.1 -82.6 -49.6 152.8 33.3 63.6 24.2 99 100 Y A E -H 46 0C 1 -53,-1.8 -53,-1.7 1,-0.1 2,-0.8 -0.341 39.0-141.0 -59.2 134.0 34.6 63.1 20.7 100 101 Y I E -HI 45 85C 0 -15,-2.2 -15,-2.0 -55,-0.2 -55,-0.2 -0.859 22.9-136.8 -97.6 114.9 32.4 60.7 18.9 101 102 Y V > - 0 0 0 -57,-2.3 3,-1.5 -2,-0.8 -57,-0.2 -0.342 16.2-116.7 -72.5 148.6 34.7 58.6 16.8 102 103 Y W T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -2,-0.1 201,-0.0 0.849 115.3 60.0 -49.9 -33.8 34.0 57.7 13.2 103 104 Y Q T 3 S+ 0 0 0 200,-0.1 -1,-0.3 2,-0.0 31,-0.1 0.827 81.0 111.9 -59.3 -38.7 33.9 54.1 14.3 104 105 Y C < - 0 0 1 -3,-1.5 3,-0.3 -60,-0.3 -61,-0.2 -0.110 48.5-168.2 -46.8 128.9 31.1 54.8 16.6 105 106 Y R > + 0 0 9 -63,-3.1 3,-0.8 1,-0.2 -62,-0.2 0.305 52.6 112.5-103.4 12.4 27.8 53.3 15.7 106 107 Y R T 3 S+ 0 0 17 1,-0.2 2,-1.1 -64,-0.2 3,-0.5 0.884 71.2 62.1 -54.5 -39.8 25.5 55.1 18.1 107 108 Y T T 3> + 0 0 2 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 -0.189 65.2 109.0 -79.6 43.0 23.7 57.1 15.3 108 109 Y A H <> S+ 0 0 11 -2,-1.1 4,-2.1 -3,-0.8 -1,-0.2 0.977 73.1 56.8 -80.8 -52.8 22.2 54.2 13.4 109 110 Y E H >> S+ 0 0 154 -3,-0.5 4,-2.1 1,-0.3 3,-0.8 0.920 110.6 46.2 -35.5 -62.5 18.5 54.9 14.4 110 111 Y I H 3> S+ 0 0 25 1,-0.3 4,-2.4 2,-0.2 3,-0.3 0.947 108.9 54.6 -43.6 -57.4 18.8 58.3 13.0 111 112 Y C H 3X S+ 0 0 6 -4,-1.1 4,-2.3 1,-0.3 -1,-0.3 0.868 102.8 57.1 -50.2 -35.5 20.4 56.9 10.0 112 113 Y E H <>S+ 0 0 10 -4,-2.4 3,-2.1 1,-0.3 5,-1.2 0.905 105.8 56.8 -42.3 -46.9 17.0 59.4 7.0 115 116 Y K H ><5S+ 0 0 92 -4,-2.3 3,-1.3 1,-0.3 5,-0.4 0.942 105.7 50.1 -51.5 -52.6 16.9 56.3 4.9 116 117 Y R H 3<5S+ 0 0 163 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.236 98.7 65.1 -71.6 12.5 13.1 56.3 5.0 117 118 Y D T <<5S- 0 0 100 -3,-2.1 -1,-0.3 -4,-0.5 -2,-0.2 0.084 113.7-115.1-113.1 15.4 12.7 60.0 4.0 118 119 Y G T < 5S+ 0 0 66 -3,-1.3 3,-0.3 1,-0.1 4,-0.3 0.780 72.8 134.8 55.0 40.3 14.2 59.0 0.6 119 120 Y L >< + 0 0 13 -5,-1.2 4,-1.9 -4,-0.2 5,-0.3 0.365 29.9 105.5 -97.9 7.7 17.4 61.0 0.9 120 121 Y E H > S+ 0 0 73 -5,-0.4 4,-3.9 1,-0.2 5,-0.2 0.930 82.3 46.4 -51.3 -48.1 19.9 58.6 -0.2 121 122 Y D H > S+ 0 0 101 -3,-0.3 4,-4.7 2,-0.2 5,-0.4 0.911 106.9 53.5 -64.9 -44.2 20.4 60.2 -3.6 122 123 Y Y H > S+ 0 0 67 -4,-0.3 4,-4.0 2,-0.2 5,-0.4 0.920 117.1 41.8 -52.2 -46.6 20.7 63.7 -2.5 123 124 Y I H X>S+ 0 0 0 -4,-1.9 4,-3.5 2,-0.2 5,-1.6 0.970 116.9 45.5 -56.6 -63.7 23.4 62.5 -0.2 124 125 Y R H <5S+ 0 0 52 -4,-3.9 4,-0.3 -5,-0.3 -2,-0.2 0.875 121.0 43.6 -49.8 -40.8 24.9 60.2 -2.7 125 126 Y S H <5S+ 0 0 49 -4,-4.7 -2,-0.2 -5,-0.2 -1,-0.2 0.875 124.4 26.9 -76.2 -46.6 24.6 63.0 -5.2 126 127 Y N H <5S+ 0 0 33 -4,-4.0 67,-3.4 -5,-0.4 68,-0.3 0.795 132.3 31.9 -93.2 -24.0 25.7 66.0 -3.3 127 128 Y T T <5S- 0 0 3 -4,-3.5 -3,-0.2 -5,-0.4 -2,-0.1 0.759 86.5-134.0-101.1 -33.2 28.0 64.5 -0.8 128 129 Y G S S- 0 0 3 -2,-0.6 3,-1.3 3,-0.1 6,-0.2 -0.854 74.7-109.8-178.6 142.5 25.8 55.5 7.7 133 134 Y P T 3 S+ 0 0 1 0, 0.0 -26,-0.2 0, 0.0 -27,-0.1 0.610 100.8 85.2 -56.6 -11.1 27.0 56.3 11.2 134 135 Y Y T 3 S+ 0 0 0 -31,-0.1 2,-0.3 -29,-0.1 -30,-0.1 0.903 77.2 69.3 -53.7 -54.1 30.5 56.8 9.8 135 136 Y F S X S- 0 0 0 -3,-1.3 3,-0.6 -5,-0.2 4,-0.4 -0.625 84.3-124.6 -79.3 141.8 30.0 60.4 8.8 136 137 Y S T 3> S+ 0 0 0 51,-0.5 4,-3.0 -53,-0.3 3,-0.4 0.561 88.0 87.9 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122.5-104.7 -93.7 30.9 23.4 81.9 19.3 157 158 Y G T < 5S+ 0 0 18 -3,-1.3 -3,-0.2 -5,-0.2 -2,-0.2 0.564 91.0 125.8 57.9 13.6 27.0 81.1 18.0 158 159 Y E < + 0 0 66 -5,-2.7 -68,-1.5 -6,-0.3 2,-0.3 0.726 62.8 55.3 -64.1 -34.0 27.5 80.0 21.6 159 160 Y L E -J 89 0C 1 -6,-0.8 2,-0.4 -5,-0.3 -70,-0.2 -0.853 69.8-151.3-116.3 149.0 28.6 76.6 20.5 160 161 Y L E -J 88 0C 10 -72,-1.9 -72,-2.8 -2,-0.3 2,-0.5 -0.935 4.7-159.5-123.6 137.3 31.2 75.4 18.2 161 162 Y F E +J 87 0C 5 51,-2.2 2,-0.3 -2,-0.4 -74,-0.2 -0.915 21.7 138.8-120.3 138.1 31.6 72.4 16.0 162 163 Y G E -J 86 0C 0 -76,-3.2 -76,-2.1 -2,-0.5 2,-0.1 -0.996 41.8-113.3-164.9 168.7 34.5 70.8 14.4 163 164 Y T E > -J 85 0C 4 -2,-0.3 4,-2.7 -78,-0.2 5,-0.2 -0.316 60.8 -81.7 -84.7 175.8 36.5 67.8 13.3 164 165 Y V H >> S+ 0 0 5 -80,-0.5 4,-1.6 -83,-0.4 3,-1.4 0.950 131.1 46.6 -47.5 -71.2 39.9 67.0 14.8 165 166 Y D H >> S+ 0 0 0 1,-0.3 3,-2.1 -84,-0.3 4,-1.8 0.870 110.6 52.1 -33.4 -70.6 41.8 69.4 12.6 166 167 Y T H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 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0.049 94.5-138.9 -74.5 -9.2 29.5 73.6 -4.5 196 197 Y L T 5 + 0 0 59 -5,-0.1 2,-0.3 1,-0.1 -3,-0.2 0.791 68.0 94.3 43.6 48.6 32.3 73.3 -2.3 197 198 Y D E - 0 0 10 -9,-1.1 4,-3.7 1,-0.2 5,-0.1 -0.960 11.4-157.2-142.3 117.2 24.5 72.5 2.4 200 201 Y D H > S+ 0 0 94 -2,-0.5 4,-4.3 2,-0.2 5,-0.5 0.861 90.8 64.3 -55.9 -46.6 21.3 73.7 3.9 201 202 Y K H > S+ 0 0 90 1,-0.2 4,-3.9 2,-0.2 5,-0.3 0.962 114.6 34.1 -38.4 -64.8 19.3 70.7 2.9 202 203 Y M H > S+ 0 0 2 1,-0.2 4,-3.9 2,-0.2 5,-0.5 0.956 115.0 59.7 -52.0 -59.9 21.5 68.7 5.1 203 204 Y L H <>S+ 0 0 9 -4,-3.7 5,-3.3 1,-0.2 -1,-0.2 0.815 116.9 30.6 -43.8 -43.7 21.9 71.5 7.5 204 205 Y E H ><5S+ 0 0 132 -4,-4.3 3,-1.8 3,-0.2 -1,-0.2 0.951 113.8 58.9 -86.0 -50.7 18.3 71.7 8.2 205 206 Y V H 3<5S+ 0 0 62 -4,-3.9 -2,-0.2 -5,-0.5 -3,-0.2 0.903 119.0 35.0 -38.0 -51.5 17.3 68.1 7.6 206 207 Y L T 3<5S- 0 0 3 -4,-3.9 -1,-0.3 -5,-0.3 -2,-0.2 0.600 112.5-128.0 -82.4 -10.7 19.7 67.3 10.4 207 208 Y D T < 5 + 0 0 79 -3,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.982 50.1 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