REMARK SOURCE hebe.pdb HEADER UNKNOWN FUNCTION 14-OCT-08 3EW2 COMPND RHIZAVIDIN; COMPND 3 CHAIN: A, B, C, D, E, F, G; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM ETLI; SOURCE 3 ORGANISM_TAXID: 347834; SOURCE 4 STRAIN: CFN 42; SOURCE 5 GENE: RHE_PD00032; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: B834(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID AUTHOR O.LIVNAH,A.MEIR HET BTN A 400 16 HET BTN B 500 16 HET BTN C 600 16 HET BTN D 700 16 HET BTN E 800 16 HET BTN F 900 16 HET BTN G 350 16 SSBOND 1 CYS A 50 CYS A 79 1555 1555 2.08 SSBOND 2 CYS B 250 CYS B 279 1555 1555 2.05 SSBOND 3 CYS C 50 CYS C 79 1555 1555 2.07 SSBOND 4 CYS D 250 CYS D 279 1555 1555 2.04 SSBOND 5 CYS E 50 CYS E 79 1555 1555 2.02 SSBOND 6 CYS F 50 CYS F 79 1555 1555 2.06 SSBOND 7 CYS G 250 CYS G 279 1555 1555 2.07 SITE 1 AC1 12 ASN A 21 SER A 25 TYR A 41 ASN A 43 SITE 1 AC2 14 ASN B 221 SER B 225 TYR B 241 ASN B 243 SITE 1 AC3 12 ASN C 21 SER C 25 TYR C 41 ASN C 43 SITE 1 AC4 11 GLY D 224 TYR D 241 ASN D 243 THR D 248 SITE 1 AC5 13 ASN E 21 SER E 25 TYR E 41 ASN E 43 SITE 1 AC6 14 ASN F 21 SER F 25 TYR F 41 ASN F 43 SITE 1 AC7 14 GLY A 47 ASN G 221 SER G 225 TYR G 241 >ALA.A 15 21.84 67.68 35.50 21.59 66.39 36.28 21.72 67.04 35.89 2 0 13.68 -999 ? O3 BTN C 600 >SER^A 16 19.25 70.10 36.92 17.29 70.43 38.28 18.27 70.27 37.60 2 0 14.50 -999 ? O3 BTN C 600 >SER^A 17 19.35 73.89 36.53 20.39 73.99 34.30 19.87 73.94 35.42 2 0 15.82 -999 ? O3 BTN A 400 >SER^A 18 17.36 77.12 36.64 16.74 76.38 38.83 17.05 76.75 37.74 2 0 13.12 -999 ? O11 BTN E 800 >TRP^A 19 18.07 77.06 33.09 21.78 77.77 32.06 19.92 77.42 32.57 3 0 12.88 -999 ? O3 BTN A 400 >GLN^A 20 14.91 85.60 35.30 14.98 86.70 37.19 14.95 86.15 36.25 2 0 10.77 -999 ? O3 BTN A 400 >ASN^A 21 14.94 85.05 29.41 12.84 85.28 29.48 13.89 85.17 29.45 2 0 -3.63 -999 ? O3 BTN A 400s >GLN.A 22 15.07 89.96 27.70 14.85 88.05 26.78 14.96 89.00 27.24 2 0 6.20 -999 ? N1 BTN A 400 >SER.A 23 11.81 89.28 30.46 11.16 89.10 28.15 11.49 89.19 29.31 2 0 5.28 -999 ? C3 BTN A 400 >GLY.A 24 11.69 87.79 33.94 11.61 87.35 33.28 11.65 87.57 33.61 1 0 7.18 -999 ? O3 BTN A 400 >SER.A 25 10.56 84.39 32.56 9.10 84.75 30.62 9.83 84.57 31.59 2 0 -2.61 -999 ? O3 BTN A 400s >THR^A 26 11.86 81.33 34.38 11.70 81.37 36.57 11.78 81.35 35.48 2 0 8.96 -999 ? O3 BTN A 400 >MET^A 27 12.66 77.69 33.61 14.32 77.21 29.69 13.49 77.45 31.65 2 0 8.29 -999 ? O3 BTN A 400 >ILE^A 28 13.25 74.06 36.58 13.68 73.41 36.95 13.46 73.73 36.77 3 0 13.83 -999 ? O3 BTN A 400 >ILE^A 29 16.28 72.47 31.73 16.90 73.34 30.83 16.59 72.91 31.28 3 0 13.36 -999 ? O3 BTN A 400 >GLN^A 30 15.93 67.31 35.66 17.49 66.39 36.82 16.71 66.85 36.24 2 0 10.93 -999 ? O3 BTN C 600 >VAL^A 31 19.25 66.95 30.91 20.97 67.73 29.78 20.11 67.34 30.34 3 0 14.28 -999 ? O3 BTN C 600 >ASP.A 32 17.79 62.35 30.75 17.32 62.02 28.67 17.56 62.18 29.71 2 0 10.32 -999 ? O3 BTN C 600 >SER.A 33 21.64 60.51 29.90 20.75 58.36 30.34 21.19 59.43 30.12 2 0 10.98 -999 ? O3 BTN C 600 >PHE.A 34 18.75 58.45 26.87 18.31 56.19 28.47 18.53 57.32 27.67 3 0 10.59 -999 ? N1 BTN C 600 >GLY.A 35 20.53 64.17 25.67 19.87 63.81 25.91 20.20 63.99 25.79 1 0 15.20 -999 ? O3 BTN C 600 >ASN^A 36 15.72 63.84 26.73 15.48 62.23 25.32 15.60 63.03 26.02 2 0 11.67 -999 ? N2 BTN C 600 >VAL^A 37 15.70 68.10 28.09 16.64 70.07 27.75 16.17 69.08 27.92 3 0 14.75 -999 ? O3 BTN C 600 >SER^A 38 12.74 68.11 30.36 13.11 66.63 32.24 12.92 67.37 31.30 2 0 9.89 -999 ? O3 BTN C 600 >GLY^A 39 11.22 70.62 32.74 10.69 70.53 32.12 10.95 70.58 32.43 1 0 13.38 -999 ? O3 BTN C 600 >GLN^A 40 7.15 72.09 34.50 6.14 71.95 36.38 6.64 72.02 35.44 2 0 13.37 -999 ? O3 BTN E 800 >TYR^A 41 9.30 78.50 29.80 10.61 80.77 28.86 9.95 79.63 29.33 3 0 -4.46 -999 ? O3 BTN A 400s >VAL^A 42 7.03 79.94 33.70 6.58 79.96 35.87 6.81 79.95 34.79 3 0 8.22 -999 ? O3 BTN A 400 >ASN.A 43 5.23 82.76 30.23 5.20 84.53 29.03 5.22 83.65 29.63 2 0 -3.46 -999 ? C7 BTN A 400s >ARG.A 44 7.35 85.78 36.53 8.72 83.22 37.48 8.03 84.50 37.01 2 0 9.34 -999 ? O3 BTN A 400 >ALA.A 45 6.92 88.51 29.54 7.34 87.97 28.19 7.13 88.24 28.86 2 0 -3.62 -999 ? N2 BTN A 400s >GLN.A 46 5.28 94.02 28.96 5.87 95.94 29.67 5.57 94.98 29.31 2 0 11.79 -999 ? N2 BTN A 400 >GLY.A 47 1.94 91.66 27.05 2.12 90.99 27.38 2.03 91.32 27.22 1 0 -7.70 -999 ? O11 BTN A 400s >THR.A 48 1.73 87.87 26.50 3.79 87.27 26.69 2.76 87.57 26.59 2 0 4.07 -999 ? C7 BTN A 400 >GLY.A 49 -0.84 85.21 27.45 0.06 85.13 27.51 -0.39 85.17 27.48 1 0 -3.67 -999 ? O11 BTN A 400s >CSS.A 50 -0.10 82.29 29.79 -1.06 80.46 27.98 -0.58 81.38 28.89 2 0 4.66 -999 ? C10 BTN A 400 >GLN.A 51 2.02 86.41 31.31 2.14 88.52 31.57 2.08 87.47 31.44 2 0 7.92 -999 ? C9 BTN A 400 >ASN.A 52 2.05 83.85 36.90 3.13 85.59 36.76 2.59 84.72 36.83 2 0 10.91 -999 ? O3 BTN A 400 >SER.A 53 1.69 79.17 35.42 -0.14 77.99 34.45 0.77 78.58 34.94 2 0 10.52 -999 ? C10 BTN A 400 >PRO^A 54 2.70 75.11 36.65 3.44 76.58 35.12 3.07 75.85 35.88 3 0 11.64 -999 ? O3 BTN E 800 >TYR^A 55 2.67 76.52 30.04 0.33 77.96 30.35 1.50 77.24 30.19 3 0 7.22 -999 ? C10 BTN A 400 >PRO^A 56 3.50 70.67 30.00 5.29 72.05 30.19 4.39 71.36 30.10 3 0 12.30 -999 ? C10 BTN A 400 >LEU^A 57 10.10 72.66 29.22 12.08 73.33 28.98 11.09 72.99 29.10 3 0 11.07 -999 ? O3 BTN A 400 >THR^A 58 10.89 69.35 26.14 10.04 67.75 24.88 10.46 68.55 25.51 2 0 13.95 -999 ? O11 BTN C 600 >GLY^A 59 14.08 69.63 24.12 14.11 68.90 24.46 14.10 69.27 24.29 1 0 14.72 -999 ? S1 BTN B 500 >ARG^A 60 16.35 65.29 21.78 18.52 63.11 22.19 17.43 64.20 21.98 2 0 13.84 -999 ? C10 BTN B 500 >VAL^A 61 21.03 69.13 23.77 21.21 69.23 25.98 21.12 69.18 24.88 3 0 14.09 -999 ? O12 BTN B 500 >ASN^A 62 23.85 68.78 20.22 25.35 67.98 18.90 24.60 68.38 19.56 2 0 8.39 -999 ? O12 BTN B 500 >GLY.A 63 27.42 69.65 23.39 26.60 69.94 23.50 27.01 69.80 23.44 1 0 12.56 -999 ? O12 BTN B 500 >THR.A 64 27.06 73.33 24.05 28.32 75.07 23.93 27.69 74.20 23.99 2 0 13.66 -999 ? O12 BTN B 500 >PHE^A 65 25.25 74.39 19.71 27.41 75.97 18.78 26.33 75.18 19.24 3 0 8.92 -999 ? O12 BTN B 500 >ILE^A 66 20.12 73.71 24.14 19.59 74.24 25.37 19.86 73.98 24.76 3 0 14.35 -999 ? O12 BTN B 500 >ALA^A 67 16.73 73.53 21.34 16.47 73.02 19.87 16.60 73.27 20.60 2 0 9.84 -999 ? S1 BTN B 500 >PHE^A 68 14.11 74.91 25.41 14.70 77.52 26.27 14.40 76.22 25.84 3 0 9.28 -999 ? N1 BTN A 400 >SER^A 69 9.78 73.47 22.80 10.48 71.73 21.15 10.13 72.60 21.97 2 0 11.84 -999 ? S1 BTN A 400 >VAL^A 70 6.66 74.45 24.78 6.66 75.69 26.65 6.66 75.07 25.72 3 0 7.94 -999 ? S1 BTN A 400 >GLY^A 71 3.03 74.18 23.94 3.34 74.37 24.70 3.18 74.28 24.32 1 0 8.35 -999 ? C10 BTN A 400 >TRP^A 72 3.00 78.99 23.89 5.42 79.63 26.95 4.21 79.31 25.42 3 0 -3.74 -999 ? C10 BTN A 400s >ASN^A 73 -2.04 73.67 26.07 -3.82 72.73 26.60 -2.93 73.20 26.33 2 0 11.42 -999 ? C10 BTN A 400 >ASN.A 74 -1.07 73.88 31.72 -1.20 75.73 32.74 -1.14 74.80 32.23 2 0 10.61 -999 ? C10 BTN A 400 >SER.A 75 -5.93 73.53 31.62 -5.50 72.17 33.61 -5.72 72.85 32.62 2 0 15.29 -999 ? C10 BTN A 400 >THR.A 76 -5.50 76.56 33.81 -4.34 77.26 35.46 -4.92 76.91 34.63 2 0 13.18 -999 ? C10 BTN A 400 >GLU.A 77 -4.57 81.22 30.27 -3.22 82.86 30.38 -3.89 82.04 30.33 2 0 7.47 -999 ? C10 BTN A 400 >ASN^A 78 -5.54 76.53 26.42 -5.10 75.95 24.41 -5.32 76.24 25.41 2 0 9.15 -999 ? O12 BTN A 400 >CSS^A 79 -3.09 80.18 24.72 -1.61 81.80 26.50 -2.35 80.99 25.61 2 0 3.99 -999 ? C10 BTN A 400 >ASN^A 80 -4.84 78.55 21.00 -5.33 77.68 19.11 -5.09 78.11 20.06 2 0 8.98 -999 ? O12 BTN A 400 >SER^A 81 0.07 78.57 20.89 0.93 80.53 22.18 0.50 79.55 21.53 2 0 -2.44 -999 ? O12 BTN A 400s >ALA^A 82 3.54 77.02 20.91 3.54 75.57 20.29 3.54 76.29 20.60 2 0 8.19 -999 ? O12 BTN A 400 >THR^A 83 7.13 78.32 21.08 7.46 80.23 22.11 7.29 79.27 21.59 2 0 -3.21 -999 ? S1 BTN A 400s >GLY^A 84 10.52 76.85 20.20 10.49 77.69 20.22 10.51 77.27 20.21 1 0 7.73 -999 ? S1 BTN A 400 >TRP^A 85 13.60 80.60 23.91 10.07 79.31 25.03 11.84 79.95 24.47 3 0 4.71 -999 ? C6 BTN A 400 >THR^A 86 17.32 77.41 19.85 17.24 76.41 17.87 17.28 76.91 18.86 2 0 8.75 -999 ? S1 BTN B 500 >GLY^A 87 20.66 78.54 21.04 20.66 77.76 21.19 20.66 78.15 21.12 1 0 12.52 -999 ? O12 BTN B 500 >TYR^A 88 25.20 79.67 21.46 25.47 82.38 20.81 25.33 81.02 21.13 3 0 13.68 -999 ? O12 BTN B 500 >ALA^A 89 25.28 78.18 26.27 25.43 77.07 27.31 25.36 77.62 26.79 2 0 16.93 -999 ? O12 BTN B 500 >GLN^A 90 27.82 82.64 25.65 28.55 84.10 24.26 28.19 83.37 24.95 2 0 18.51 -999 ? O12 BTN B 500 >VAL^A 91 30.50 80.90 29.87 31.47 79.24 30.97 30.99 80.07 30.42 3 0 21.74 -999 ? O3 BTN A 400 >ASN^A 92 29.67 85.58 30.15 28.98 85.53 28.10 29.32 85.55 29.12 2 0 19.20 -999 ? N1 BTN A 400 >GLY.A 93 33.28 84.34 33.39 32.57 83.94 33.34 32.92 84.14 33.36 1 0 24.13 -999 ? O3 BTN A 400 >ASN.A 94 30.90 85.06 37.53 32.57 85.22 38.82 31.73 85.14 38.18 2 0 23.39 -999 ? O11 BTN E 800 >ASN^A 95 27.73 85.42 33.32 28.31 87.28 34.26 28.02 86.35 33.79 2 0 19.84 -999 ? O3 BTN A 400 >THR^A 96 26.64 81.35 32.17 26.85 79.22 32.58 26.75 80.28 32.38 2 0 18.31 -999 ? O3 BTN A 400 >GLU^A 97 25.16 84.58 29.28 25.08 86.16 27.90 25.12 85.37 28.59 2 0 15.37 -999 ? N1 BTN A 400 >ILE^A 98 20.83 79.57 27.30 20.66 78.10 27.26 20.74 78.83 27.28 3 0 12.19 -999 ? O3 BTN A 400 >VAL^A 99 21.60 82.93 23.95 23.19 84.22 22.99 22.40 83.57 23.47 3 0 12.69 -999 ? N1 BTN A 400 >THR^A 100 18.45 81.97 22.01 17.10 81.39 23.67 17.78 81.68 22.84 2 0 8.04 -999 ? N1 BTN A 400 >SER^A 101 16.22 82.84 19.04 17.93 83.43 17.38 17.07 83.14 18.21 2 0 10.96 -999 ? C6 BTN A 400 >TRP^A 102 12.70 84.04 22.10 9.40 85.80 20.88 11.05 84.92 21.49 3 0 -3.30 -999 ? C6 BTN A 400s >ASN^A 103 9.52 80.68 15.96 11.04 81.34 14.64 10.28 81.01 15.30 2 0 9.59 -999 ? C6 BTN A 400 >LEU^A 104 5.75 82.81 19.56 3.90 82.97 20.75 4.82 82.89 20.16 3 0 4.67 -999 ? S1 BTN A 400 >ALA^A 105 3.35 80.19 16.41 3.57 78.83 15.71 3.46 79.51 16.06 2 0 8.83 -999 ? O12 BTN A 400 >TYR^A 106 0.40 83.63 17.60 0.92 85.96 16.21 0.66 84.79 16.91 3 0 6.56 -999 ? O12 BTN A 400 >GLU^A 107 -6.20 81.87 16.12 -6.48 81.07 14.15 -6.34 81.47 15.14 2 0 11.74 -999 ? O12 BTN A 400 >GLY.A 108 -3.54 85.67 15.13 -4.18 85.16 14.93 -3.86 85.42 15.03 1 0 9.60 -999 ? O12 BTN A 400 >GLY.A 109 -6.40 87.82 13.85 -5.89 87.43 13.34 -6.15 87.62 13.60 1 0 12.83 -999 ? O12 BTN A 400 >SER.A 110 -5.73 86.92 10.21 -3.28 86.80 10.14 -4.50 86.86 10.17 2 0 14.24 -999 ? O12 BTN A 400 >GLY.A 111 -5.31 83.20 11.04 -4.73 83.75 11.42 -5.02 83.48 11.23 1 0 13.60 -999 ? O12 BTN A 400 >PRO^A 112 -3.28 79.41 11.09 -2.82 81.47 11.84 -3.05 80.44 11.47 3 0 12.53 -999 ? O12 BTN A 400 >ALA^A 113 1.04 83.22 12.40 0.66 84.69 12.61 0.85 83.96 12.50 2 0 10.71 -999 ? O12 BTN A 400 >ILE^A 114 5.48 82.04 12.70 6.08 80.73 12.48 5.78 81.39 12.59 3 0 11.65 -999 ? S1 BTN A 400 >GLU^A 115 6.63 87.45 17.53 5.62 88.17 19.30 6.12 87.81 18.42 2 0 6.78 -999 ? C2 BTN A 400 >GLN^A 116 10.90 85.39 13.44 10.71 86.65 11.70 10.81 86.02 12.57 2 0 12.52 -999 ? C6 BTN A 400 >GLY^A 117 12.22 87.04 18.91 12.57 86.33 18.63 12.40 86.68 18.77 1 0 6.72 -999 ? C6 BTN A 400 >GLN^A 118 16.51 87.18 19.09 17.91 88.61 18.38 17.21 87.90 18.73 2 0 11.44 -999 ? C5 BTN A 400 >ASP^A 119 14.99 84.46 25.29 12.88 84.94 25.42 13.94 84.70 25.36 2 0 -3.02 -999 ? N1 BTN A 400s >THR^A 120 19.03 85.48 26.76 20.94 86.49 26.34 19.98 85.99 26.55 2 0 11.21 -999 ? N1 BTN A 400 >PHE^A 121 16.79 81.57 28.96 14.25 81.27 27.74 15.52 81.42 28.35 3 0 6.33 -999 ? O3 BTN A 400 >GLN^A 122 21.49 86.41 32.55 23.50 86.32 31.79 22.50 86.37 32.17 2 0 14.45 -999 ? O3 BTN A 400 >TYR^A 123 23.53 79.14 35.85 23.73 77.26 37.90 23.63 78.20 36.87 3 0 17.37 -999 ? O3 BTN A 400 >VAL^A 124 20.49 81.13 38.28 18.52 81.97 38.67 19.50 81.55 38.47 3 0 13.65 -999 ? O11 BTN E 800 >PRO.A 125 24.02 81.75 40.66 22.49 80.12 40.50 23.25 80.93 40.58 3 0 14.44 -999 ? O11 BTN E 800 >THR.A 126 20.32 79.40 43.83 21.94 79.10 45.31 21.13 79.25 44.57 2 0 10.90 -999 ? O11 BTN E 800 >THR.A 127 17.09 81.15 42.79 15.89 79.31 42.89 16.49 80.23 42.84 2 0 8.31 -999 ? O11 BTN E 800 >GLU.A 128 17.25 86.60 45.04 17.84 88.60 44.65 17.54 87.60 44.84 2 0 10.52 -999 ? O11 BTN E 800 >ASP.B 208 -6.73 68.31 16.36 -7.12 69.84 17.77 -6.93 69.07 17.07 2 0 16.12 -999 ? O12 BTN A 400 >PHE.B 209 -0.47 68.26 15.32 0.99 69.57 13.38 0.26 68.92 14.35 3 0 16.41 -999 ? O12 BTN A 400 >SER.B 210 -4.87 64.80 17.92 -6.93 66.12 17.93 -5.90 65.46 17.93 2 0 18.39 -999 ? O11 BTN C 600 >SER.B 211 -6.01 63.31 14.56 -7.35 65.08 13.51 -6.68 64.19 14.03 2 0 21.55 -999 ? O11 BTN C 600 >ILE.B 212 -1.26 63.36 14.22 -1.03 63.29 12.85 -1.15 63.32 13.53 3 0 18.78 -999 ? O11 BTN C 600 >ALA.B 213 -2.36 60.65 17.99 -3.40 60.97 19.09 -2.88 60.81 18.54 2 0 13.82 -999 ? O11 BTN C 600 >SER.B 214 -1.39 57.02 18.77 -3.86 56.89 18.99 -2.62 56.96 18.88 2 0 13.69 -999 ? O11 BTN C 600 >ALA.B 215 0.01 56.34 15.25 -1.08 56.50 14.18 -0.53 56.42 14.72 2 0 17.23 -999 ? O11 BTN C 600 >SER^B 216 3.23 57.06 13.41 5.18 55.78 14.08 4.21 56.42 13.75 2 0 16.21 -999 ? O12 BTN F 900 >SER^B 217 2.86 59.67 10.65 2.28 61.85 11.54 2.57 60.76 11.10 2 0 15.90 -999 ? O3 BTN B 500 >SER^B 218 5.41 60.87 8.05 6.08 58.66 7.71 5.74 59.76 7.88 2 0 14.39 -999 ? O3 BTN B 500 >TRP^B 219 4.81 64.02 9.81 1.54 66.13 9.11 3.17 65.07 9.46 3 0 13.24 -999 ? O3 BTN B 500 >GLN^B 220 9.03 63.68 2.70 9.28 63.01 0.63 9.16 63.35 1.66 2 0 10.95 -999 ? O3 BTN B 500 >ASN^B 221 10.39 70.18 4.58 12.45 69.80 4.85 11.42 69.99 4.71 2 0 -3.54 -999 ? O3 BTN B 500s >GLN.B 222 11.02 73.76 0.83 11.13 73.47 2.99 11.07 73.61 1.91 2 0 6.50 -999 ? N1 BTN B 500 >SER.B 223 14.41 70.50 0.92 15.10 72.53 2.18 14.75 71.51 1.55 2 0 5.38 -999 ? N1 BTN B 500 >GLY.B 224 13.68 66.72 0.86 13.70 67.08 1.58 13.69 66.90 1.22 1 0 6.91 -999 ? O3 BTN B 500 >SER.B 225 13.92 66.10 4.65 15.62 67.56 5.33 14.77 66.83 4.99 2 0 -2.62 -999 ? O3 BTN B 500s >THR^B 226 11.55 63.63 6.26 11.27 61.44 5.96 11.41 62.54 6.11 2 0 9.21 -999 ? O3 BTN B 500 >MET^B 227 10.41 63.10 9.80 8.97 66.68 11.66 9.69 64.89 10.73 2 0 8.49 -999 ? O3 BTN B 500 >ILE^B 228 8.91 58.77 11.23 8.74 57.44 10.58 8.82 58.11 10.90 3 0 13.85 -999 ? O3 BTN B 500 >ILE^B 229 6.11 63.02 14.35 5.73 64.29 13.76 5.92 63.65 14.05 3 0 13.26 -999 ? O3 BTN B 500 >GLN^B 230 5.64 57.55 17.08 7.73 57.64 16.37 6.68 57.59 16.72 2 0 15.39 -999 ? O11 BTN C 600 >VAL^B 231 1.99 62.23 18.84 1.21 64.09 18.02 1.60 63.16 18.43 3 0 13.79 -999 ? O11 BTN C 600 >ASP.B 232 1.29 60.28 23.26 2.29 61.71 24.51 1.79 60.99 23.88 2 0 7.71 -999 ? O11 BTN C 600 >SER.B 233 -2.63 61.92 24.06 -3.20 59.90 25.32 -2.91 60.91 24.69 2 0 8.57 -999 ? O11 BTN C 600 >PHE.B 234 0.26 61.88 27.89 -0.52 59.37 28.91 -0.13 60.63 28.40 3 0 4.98 -999 ? O11 BTN C 600 >GLY.B 235 0.72 66.20 23.61 1.22 65.62 23.91 0.97 65.91 23.76 1 0 11.57 -999 ? O11 BTN C 600 >ASN^B 236 4.89 63.67 24.18 4.83 63.95 26.28 4.86 63.81 25.23 2 0 8.23 -999 ? O11 BTN C 600 >VAL^B 237 6.01 64.50 20.03 5.72 65.90 18.31 5.87 65.20 19.17 3 0 14.40 -999 ? O11 BTN C 600 >SER^B 238 8.63 61.86 19.54 7.93 60.86 21.62 8.28 61.36 20.58 2 0 11.16 -999 ? O11 BTN C 600 >GLY^B 239 10.28 60.88 16.34 10.89 61.13 16.80 10.59 61.00 16.57 1 0 13.84 -999 ? O3 BTN B 500 >GLN^B 240 13.36 58.16 14.58 15.07 58.31 15.85 14.21 58.24 15.22 2 0 14.46 -999 ? O3 BTN B 500 >TYR^B 241 14.37 65.84 11.33 13.81 67.91 9.54 14.09 66.87 10.43 3 0 -4.67 -999 ? O3 BTN B 500s >VAL^B 242 16.27 62.56 8.35 16.59 60.70 7.28 16.43 61.63 7.82 3 0 8.15 -999 ? O3 BTN B 500 >ASN.B 243 18.91 66.51 7.85 19.90 68.00 6.71 19.40 67.26 7.28 2 0 -3.59 -999 ? C7 BTN B 500s >ARG.B 244 16.83 62.78 1.96 14.44 61.20 3.13 15.64 61.99 2.54 2 0 9.29 -999 ? O3 BTN B 500 >ALA.B 245 18.85 69.77 2.86 18.41 70.81 3.81 18.63 70.29 3.34 2 0 -3.51 -999 ? N2 BTN B 500s >GLN.B 246 21.58 72.42 -1.26 23.21 73.76 -1.00 22.39 73.09 -1.13 2 0 10.16 -999 ? C4 BTN B 500 >GLY.B 247 24.70 72.82 2.20 24.38 72.17 2.61 24.54 72.49 2.41 1 0 7.30 -999 ? O11 BTN B 500 >THR.B 248 24.28 71.14 5.60 22.10 71.10 5.67 23.19 71.12 5.64 2 0 -3.94 -999 ? C8 BTN B 500s >GLY.B 249 26.10 68.42 7.51 25.24 68.62 7.50 25.67 68.52 7.51 1 0 -3.96 -999 ? O11 BTN B 500s >CSS.B 250 24.30 65.50 9.16 25.21 66.19 11.63 24.76 65.85 10.39 2 0 4.62 -999 ? C10 BTN B 500 >GLN.B 251 22.81 66.21 4.57 22.90 66.72 2.49 22.85 66.46 3.53 2 0 7.96 -999 ? C9 BTN B 500 >ASN.B 252 21.73 60.28 4.32 21.53 61.53 2.62 21.63 60.91 3.47 2 0 10.89 -999 ? C9 BTN B 500 >SER.B 253 20.84 59.54 9.06 22.54 59.17 10.63 21.69 59.35 9.85 2 0 10.69 -999 ? C9 BTN B 500 >PRO^B 254 18.28 57.15 11.85 18.62 59.30 11.24 18.45 58.22 11.55 3 0 12.12 -999 ? C9 BTN B 500 >TYR^B 255 19.94 63.49 13.62 22.59 63.30 12.63 21.27 63.40 13.13 3 0 7.05 -999 ? C10 BTN B 500 >PRO^B 256 17.61 60.88 18.77 16.43 61.89 17.07 17.02 61.39 17.92 3 0 12.41 -999 ? C10 BTN B 500 >LEU^B 257 12.71 64.83 16.47 10.66 64.99 15.78 11.68 64.91 16.12 3 0 11.00 -999 ? O3 BTN B 500 >THR^B 258 10.98 65.72 20.69 11.70 65.93 22.78 11.34 65.82 21.74 2 0 14.43 -999 ? N2 BTN C 600 >GLY^B 259 8.46 68.49 20.93 8.09 67.80 21.23 8.28 68.14 21.08 1 0 14.68 -999 ? S1 BTN A 400 >ARG^B 260 5.52 69.03 25.19 2.82 68.16 26.46 4.17 68.60 25.83 2 0 11.57 -999 ? O11 BTN C 600 >VAL^B 261 1.71 69.92 20.29 1.18 67.95 19.38 1.45 68.94 19.83 3 0 14.23 -999 ? O12 BTN A 400 >ASN^B 262 -0.71 73.51 22.04 -2.34 74.60 22.87 -1.52 74.05 22.45 2 0 8.78 -999 ? O12 BTN A 400 >GLY.B 263 -4.16 71.80 19.12 -3.33 71.65 18.93 -3.74 71.73 19.03 1 0 12.72 -999 ? O12 BTN A 400 >THR.B 264 -2.98 72.81 15.66 -3.88 73.88 14.10 -3.43 73.35 14.88 2 0 13.54 -999 ? O12 BTN A 400 >PHE^B 265 -0.56 76.52 17.14 -2.34 78.34 16.09 -1.45 77.43 16.61 3 0 8.74 -999 ? O12 BTN A 400 >ILE^B 266 3.66 71.21 16.18 4.20 70.30 15.27 3.93 70.75 15.73 3 0 14.29 -999 ? N1 BTN B 500 >ALA^B 267 7.23 72.91 18.21 7.45 74.00 19.28 7.34 73.45 18.74 2 0 10.00 -999 ? S1 BTN A 400 >PHE^B 268 9.50 69.36 15.73 9.55 69.85 12.98 9.53 69.60 14.36 3 0 9.43 -999 ? N1 BTN B 500 >SER^B 269 13.65 70.08 18.57 13.01 71.29 20.62 13.33 70.68 19.60 2 0 11.58 -999 ? S1 BTN B 500 >VAL^B 270 16.58 68.10 17.26 16.54 67.11 15.20 16.56 67.60 16.23 3 0 7.82 -999 ? S1 BTN B 500 >GLY^B 271 20.21 67.98 18.45 19.86 67.45 17.87 20.04 67.71 18.16 1 0 8.20 -999 ? C10 BTN B 500 >TRP^B 272 21.32 70.18 14.20 18.89 67.96 12.00 20.10 69.07 13.10 3 0 -3.47 -999 ? C10 BTN B 500s >ASN^B 273 25.27 64.40 18.34 26.82 62.89 18.60 26.05 63.65 18.47 2 0 11.27 -999 ? C10 BTN B 500 >ASN.B 274 22.18 60.24 15.64 23.03 60.26 13.67 22.61 60.25 14.65 2 0 10.07 -999 ? C10 BTN B 500 >SER.B 275 26.62 58.78 16.92 25.70 56.51 17.15 26.16 57.65 17.03 2 0 15.14 -999 ? C10 BTN B 500 >THR.B 276 26.79 58.38 13.10 25.52 57.38 11.68 26.15 57.88 12.39 2 0 12.91 -999 ? C10 BTN B 500 >GLU^B 277 27.76 63.67 10.65 27.62 63.86 8.52 27.69 63.77 9.58 2 0 8.21 -999 ? C10 BTN B 500 >ASN^B 278 28.74 64.84 16.18 28.58 66.50 17.59 28.66 65.67 16.89 2 0 9.05 -999 ? O12 BTN B 500 >CSS^B 279 27.47 68.56 13.48 26.33 67.79 11.00 26.90 68.17 12.24 2 0 -4.15 -999 ? C11 BTN B 500s >ASN^B 280 29.30 70.82 16.82 29.84 71.85 18.56 29.57 71.34 17.69 2 0 9.07 -999 ? O12 BTN B 500 >SER^B 281 24.51 72.12 16.53 23.99 71.24 14.30 24.25 71.68 15.42 2 0 -2.98 -999 ? O12 BTN B 500s >ALA^B 282 20.82 71.99 17.29 20.58 72.21 18.80 20.70 72.10 18.04 2 0 8.37 -999 ? O12 BTN B 500 >THR^B 283 17.65 73.06 15.49 17.53 72.93 13.26 17.59 72.99 14.38 2 0 -3.18 -999 ? S1 BTN B 500s >GLY^B 284 14.16 73.98 16.71 14.40 74.32 15.99 14.28 74.15 16.35 1 0 7.69 -999 ? S1 BTN B 500 >TRP^B 285 11.52 73.10 11.31 14.37 70.61 12.42 12.95 71.85 11.86 3 0 4.72 -999 ? C6 BTN B 500 >THR^B 286 7.69 76.05 15.45 7.81 77.42 17.13 7.75 76.73 16.29 2 0 8.76 -999 ? S1 BTN A 400 >GLY^B 287 4.63 76.18 13.26 4.41 75.77 13.94 4.52 75.98 13.60 1 0 12.46 -999 ? O12 BTN A 400 >TYR^B 288 0.35 77.22 11.44 0.86 78.90 9.26 0.60 78.06 10.35 3 0 13.63 -999 ? O12 BTN A 400 >ALA^B 289 -0.79 72.44 10.77 -1.47 71.21 11.41 -1.13 71.83 11.09 2 0 16.63 -999 ? O12 BTN A 400 >GLN^B 290 -1.54 75.03 6.38 -1.37 76.86 5.28 -1.46 75.95 5.83 2 0 17.76 -999 ? N1 BTN B 500 >VAL^B 291 -4.96 72.05 5.06 -6.87 70.95 5.17 -5.91 71.50 5.11 3 0 21.40 -999 ? O3 BTN B 500 >ASN^B 292 -2.11 73.07 1.48 -1.46 74.26 -0.20 -1.78 73.67 0.64 2 0 18.80 -999 ? O3 BTN B 500 >GLY.B 293 -5.76 71.69 -1.39 -5.82 71.65 -0.45 -5.79 71.67 -0.92 1 0 22.75 -999 ? O3 BTN B 500 >ASN.B 294 -7.93 67.67 0.11 -9.05 67.20 1.89 -8.49 67.44 1.00 2 0 25.01 -999 ? O3 BTN B 500 >ASN^B 295 -1.92 67.77 1.15 -0.57 66.38 2.15 -1.25 67.08 1.65 2 0 16.91 -999 ? O3 BTN B 500 >THR^B 296 -2.47 68.78 5.37 -2.66 67.38 7.05 -2.56 68.08 6.21 2 0 18.13 -999 ? O3 BTN B 500 >GLU^B 297 0.76 72.55 4.58 0.77 73.04 2.55 0.77 72.79 3.57 2 0 15.57 -999 ? O3 BTN B 500 >ILE^B 298 3.60 71.03 9.79 3.80 70.33 11.05 3.70 70.68 10.42 3 0 12.20 -999 ? O3 BTN B 500 >VAL^B 299 4.09 75.52 8.18 3.05 77.11 7.01 3.57 76.32 7.59 3 0 12.75 -999 ? N1 BTN B 500 >THR^B 300 7.22 76.31 10.27 8.12 74.27 10.20 7.67 75.29 10.24 2 0 8.23 -999 ? N1 BTN B 500 >SER^B 301 9.94 78.82 10.99 8.87 80.97 10.81 9.40 79.90 10.90 2 0 10.97 -999 ? C6 BTN B 500 >TRP^B 302 13.23 75.81 9.04 17.03 76.89 8.53 15.13 76.35 8.79 3 0 -3.37 -999 ? C6 BTN B 500s >ASN^B 303 16.50 79.14 15.15 15.46 80.92 14.86 15.98 80.03 15.01 2 0 9.50 -999 ? C6 BTN B 500 >LEU^B 304 20.10 76.04 12.17 21.40 74.47 11.56 20.75 75.25 11.86 3 0 4.47 -999 ? S1 BTN B 500 >ALA^B 305 22.27 77.11 16.22 21.84 77.18 17.68 22.06 77.14 16.95 2 0 8.85 -999 ? O12 BTN B 500 >TYR^B 306 25.88 76.66 12.98 26.24 78.90 11.36 26.06 77.78 12.17 3 0 6.55 -999 ? O12 BTN B 500 >GLU^B 307 31.78 76.45 16.65 31.56 77.84 18.26 31.67 77.14 17.45 2 0 11.81 -999 ? O12 BTN B 500 >GLY.B 308 30.61 78.98 12.75 30.99 78.63 13.42 30.80 78.80 13.08 1 0 9.84 -999 ? O12 BTN B 500 >GLY.B 309 34.29 79.84 12.33 33.70 80.43 12.47 34.00 80.14 12.40 1 0 13.00 -999 ? O12 BTN B 500 >SER.B 310 33.67 83.49 13.23 31.46 84.08 12.33 32.56 83.79 12.78 2 0 14.47 -999 ? O12 BTN B 500 >GLY.B 311 32.00 82.02 16.41 31.58 81.84 15.70 31.79 81.93 16.06 1 0 13.94 -999 ? O12 BTN B 500 >PRO^B 312 29.17 81.47 19.65 29.27 80.88 17.48 29.22 81.17 18.56 3 0 13.00 -999 ? O12 BTN B 500 >ALA^B 313 25.88 81.60 15.03 26.30 81.74 13.56 26.09 81.67 14.30 2 0 10.64 -999 ? O12 BTN B 500 >ILE^B 314 21.23 81.61 15.95 20.51 81.35 17.20 20.87 81.48 16.58 3 0 11.58 -999 ? S1 BTN B 500 >GLU^B 315 21.06 80.17 8.82 21.51 78.53 7.53 21.29 79.35 8.17 2 0 7.05 -999 ? C2 BTN B 500 >GLN^B 316 15.86 83.50 11.63 14.98 85.42 11.25 15.42 84.46 11.44 2 0 12.34 -999 ? C6 BTN B 500 >GLY^B 317 14.79 79.76 7.89 14.36 79.82 8.58 14.57 79.79 8.23 1 0 6.80 -999 ? C6 BTN B 500 >GLN^B 318 10.59 80.69 6.31 9.10 81.76 5.14 9.85 81.23 5.72 2 0 11.84 -999 ? C5 BTN B 500 >ASP^B 319 10.86 73.61 7.04 12.98 73.29 6.79 11.92 73.45 6.91 2 0 -2.98 -999 ? N1 BTN B 500s >THR^B 320 6.76 73.45 5.07 5.31 74.76 4.15 6.03 74.10 4.61 2 0 11.15 -999 ? N1 BTN B 500 >PHE^B 321 7.70 69.39 7.77 10.30 69.79 8.79 9.00 69.59 8.28 3 0 6.48 -999 ? O3 BTN B 500 >GLN^B 322 3.84 68.81 1.28 2.28 70.23 1.47 3.06 69.52 1.38 2 0 14.14 -999 ? O3 BTN B 500 >TYR^B 323 -0.02 63.45 5.96 -0.90 60.85 6.43 -0.46 62.15 6.20 3 0 17.50 -999 ? O3 BTN B 500 >VAL^B 324 2.86 61.69 3.34 4.77 61.26 2.51 3.81 61.47 2.93 3 0 14.67 -999 ? O3 BTN B 500 >PRO.B 325 -0.88 59.90 1.99 0.87 59.29 3.27 0.00 59.59 2.63 3 0 18.46 -999 ? O12 BTN F 900 >THR.B 326 2.10 55.24 4.03 2.27 54.01 5.80 2.19 54.63 4.92 2 0 13.00 -999 ? O12 BTN F 900 >THR.B 327 3.02 53.65 0.69 4.44 55.15 -0.11 3.73 54.40 0.29 2 0 12.73 -999 ? O12 BTN F 900 >GLU.B 328 2.27 47.74 -1.03 1.33 47.40 0.86 1.80 47.57 -0.09 2 0 10.44 -999 ? O11 BTN F 900 >ASN.C 5 30.88 54.29 52.85 32.72 55.08 52.05 31.80 54.69 52.45 2 0 27.20 -999 ? O3 BTN C 600 >PHE.C 6 23.87 52.88 50.83 21.77 51.06 50.40 22.82 51.97 50.62 3 0 19.76 -999 ? O12 BTN D 700 >LYS.C 7 25.70 50.10 53.72 29.74 49.72 56.65 27.72 49.91 55.18 2 0 23.68 -999 ? O12 BTN D 700 >ASP~C 8 21.89 48.24 55.33 20.65 46.54 55.23 21.27 47.39 55.28 2 0 15.31 -999 ? O12 BTN D 700 >PHE~C 9 17.59 50.40 51.05 17.69 51.06 48.32 17.64 50.73 49.68 3 0 16.49 -999 ? O12 BTN D 700 >SER~C 10 18.82 51.22 57.05 20.40 49.74 58.16 19.61 50.48 57.61 2 0 19.01 -999 ? O12 BTN D 700 >SER~C 11 21.68 53.69 56.44 23.48 52.31 55.65 22.58 53.00 56.05 2 0 21.42 -999 ? O12 BTN D 700 >ILE~C 12 19.02 56.14 53.36 18.97 55.71 52.13 18.99 55.93 52.75 3 0 18.88 -999 ? O3 BTN C 600 >ALA~C 13 16.58 55.59 57.69 16.60 54.41 58.64 16.59 55.00 58.16 2 0 21.69 -999 ? O11 BTN D 700 >SER.C 14 14.99 58.53 59.52 15.44 57.12 61.48 15.22 57.83 60.50 2 0 25.06 -999 ? O11 BTN D 700 >ALA.C 15 15.91 60.90 56.69 17.40 61.09 56.38 16.66 60.99 56.54 2 0 20.35 -999 ? O12 BTN E 800 >SER^C 16 14.54 62.01 53.36 12.62 63.42 53.49 13.58 62.71 53.42 2 0 16.72 -999 ? C10 BTN E 800 >SER^C 17 16.89 61.28 50.47 16.88 58.83 50.43 16.88 60.06 50.45 2 0 15.90 -999 ? O3 BTN C 600 >SER^C 18 16.78 62.53 46.86 16.20 64.79 47.40 16.49 63.66 47.13 2 0 14.69 -999 ? O3 BTN C 600 >TRP^C 19 16.45 58.79 46.57 19.63 56.53 47.10 18.04 57.66 46.84 3 0 13.13 -999 ? O3 BTN C 600 >GLN^C 20 17.80 62.38 38.15 18.83 64.11 37.44 18.31 63.24 37.79 2 0 10.24 -999 ? O3 BTN C 600 >ASN^C 21 16.31 56.98 37.10 14.53 57.78 36.23 15.42 57.38 36.66 2 0 -3.42 -999 ? O3 BTN C 600s >GLN.C 22 18.33 55.83 32.37 16.95 55.02 33.79 17.64 55.42 33.08 2 0 6.20 -999 ? N1 BTN C 600 >SER.C 23 15.72 59.58 32.21 14.74 57.42 31.72 15.23 58.50 31.96 2 0 5.25 -999 ? C3 BTN C 600 >GLY.C 24 15.98 62.61 34.49 15.50 61.97 34.62 15.74 62.29 34.55 1 0 7.08 -999 ? O3 BTN C 600 >SER.C 25 13.18 61.32 36.72 11.51 60.12 35.49 12.34 60.72 36.11 2 0 -2.59 -999 ? O3 BTN C 600s >THR^C 26 13.44 62.27 40.35 13.75 64.33 41.04 13.60 63.30 40.70 2 0 9.04 -999 ? O3 BTN C 600 >MET^C 27 12.29 60.75 43.69 12.63 56.51 44.04 12.46 58.63 43.86 2 0 8.58 -999 ? O3 BTN C 600 >ILE^C 28 11.84 63.43 47.60 12.10 64.89 47.91 11.97 64.16 47.76 3 0 13.82 -999 ? O3 BTN C 600 >ILE^C 29 12.48 57.72 49.24 13.15 56.86 48.26 12.82 57.29 48.75 3 0 13.21 -999 ? O3 BTN C 600 >GLN^C 30 10.02 60.72 54.16 9.39 61.31 52.20 9.71 61.01 53.18 2 0 17.06 -999 ? O3 BTN C 600 >VAL^C 31 12.74 55.41 55.00 14.07 54.04 53.92 13.41 54.72 54.46 3 0 19.16 -999 ? O3 BTN C 600 >ASP.C 32 10.04 54.39 58.90 8.96 52.65 58.39 9.50 53.52 58.65 2 0 19.41 -999 ? O11 BTN D 700 >SER.C 33 13.43 51.92 60.79 13.14 53.14 62.88 13.28 52.53 61.84 2 0 22.14 -999 ? O11 BTN D 700 >PHE.C 34 9.37 49.99 62.44 9.53 50.88 65.10 9.45 50.44 63.77 3 0 20.59 -999 ? O11 BTN D 700 >GLY.C 35 11.57 49.20 56.59 11.01 49.66 56.79 11.29 49.43 56.69 1 0 15.41 -999 ? O11 BTN D 700 >ASN^C 36 7.46 51.81 55.74 6.40 50.34 56.89 6.93 51.07 56.31 2 0 17.20 -999 ? O11 BTN D 700 >VAL^C 37 9.43 53.67 52.22 11.02 53.37 50.71 10.23 53.52 51.47 3 0 16.35 -999 ? O3 BTN C 600 >SER^C 38 7.31 56.76 51.58 5.69 56.57 53.28 6.50 56.66 52.43 2 0 18.49 -999 ? O3 BTN C 600 >GLY^C 39 7.78 59.73 49.27 7.15 59.33 48.97 7.47 59.53 49.12 1 0 14.20 -999 ? O3 BTN C 600 >GLN^C 40 6.02 63.22 47.39 3.92 62.82 47.01 4.97 63.02 47.20 2 0 14.47 -999 ? O3 BTN C 600 >TYR^C 41 8.64 58.59 40.85 10.48 57.50 39.05 9.56 58.04 39.95 3 0 -4.62 -999 ? O3 BTN C 600s >VAL^C 42 8.66 63.24 39.76 8.90 65.48 39.99 8.78 64.36 39.87 3 0 8.36 -999 ? O3 BTN C 600 >ASN.C 43 7.41 60.77 35.78 7.57 60.16 33.73 7.49 60.46 34.75 2 0 -3.38 -999 ? C7 BTN C 600s >ARG.C 44 12.29 66.20 35.16 12.71 66.51 38.16 12.50 66.36 36.66 2 0 9.43 -999 ? O3 BTN C 600 >ALA.C 45 10.91 60.38 30.96 10.50 58.94 31.19 10.71 59.66 31.08 2 0 -3.47 -999 ? N2 BTN C 600s >GLN.C 46 11.92 62.42 25.15 10.66 61.29 23.80 11.29 61.86 24.47 2 0 10.90 -999 ? C4 BTN C 600 >GLY.C 47 7.65 60.96 25.65 7.73 60.90 26.43 7.69 60.93 26.04 1 0 7.98 -999 ? O11 BTN C 600 >THR.C 48 5.74 59.76 28.74 7.32 58.96 30.01 6.53 59.36 29.37 2 0 4.23 -999 ? C7 BTN C 600 >GLY.C 49 2.59 61.10 30.38 3.24 60.79 30.78 2.92 60.94 30.58 1 0 -3.66 -999 ? O11 BTN C 600s >CSS.C 50 2.29 62.42 33.98 0.07 60.89 34.54 1.18 61.65 34.26 2 0 4.70 -999 ? C10 BTN C 600 >GLN.C 51 6.82 63.66 31.79 7.69 64.31 29.91 7.26 63.99 30.85 2 0 7.97 -999 ? C9 BTN C 600 >ASN.C 52 6.70 68.44 35.28 8.06 68.23 33.69 7.38 68.34 34.48 2 0 11.04 -999 ? C9 BTN C 600 >SER.C 53 4.12 66.78 39.08 2.07 65.77 38.22 3.09 66.27 38.65 2 0 9.67 -999 ? C10 BTN C 600 >PRO^C 54 4.26 66.73 43.54 4.63 65.28 41.80 4.45 66.00 42.67 3 0 12.54 -999 ? C9 BTN C 600 >TYR^C 55 2.39 61.00 40.21 1.03 62.17 38.07 1.71 61.58 39.14 3 0 7.24 -999 ? C10 BTN C 600 >PRO^C 56 0.49 60.15 45.93 2.67 59.80 45.23 1.58 59.97 45.58 3 0 12.60 -999 ? C10 BTN C 600 >LEU^C 57 6.69 57.04 45.88 8.64 56.05 46.18 7.66 56.55 46.03 3 0 11.01 -999 ? O3 BTN C 600 >THR^C 58 5.11 53.64 48.57 3.40 52.63 49.39 4.26 53.14 48.98 2 0 15.39 -999 ? S1 BTN C 600 >GLY^C 59 7.61 50.86 49.19 7.37 51.05 49.90 7.49 50.95 49.55 1 0 14.98 -999 ? S1 BTN C 600 >ARG^C 60 6.80 47.44 52.71 8.43 47.40 55.32 7.61 47.42 54.02 2 0 13.49 -999 ? O11 BTN D 700 >VAL^C 61 13.02 47.83 52.02 13.93 49.70 52.65 13.48 48.76 52.34 3 0 13.85 -999 ? O11 BTN D 700 >ASN^C 62 14.11 43.45 52.64 14.64 41.64 53.64 14.37 42.55 53.14 2 0 8.15 -999 ? O11 BTN D 700 >GLY.C 63 18.52 45.03 53.79 18.00 45.45 53.24 18.26 45.24 53.51 1 0 12.54 -999 ? O12 BTN D 700 >THR.C 64 20.00 45.88 50.43 21.67 45.21 49.20 20.84 45.54 49.82 2 0 13.48 -999 ? O12 BTN D 700 >PHE^C 65 17.49 42.91 48.19 19.68 41.24 47.71 18.59 42.07 47.95 3 0 9.13 -999 ? O12 BTN D 700 >ILE^C 66 14.31 49.01 47.58 14.31 50.33 47.03 14.31 49.67 47.31 3 0 14.31 -999 ? N1 BTN C 600 >ALA^C 67 10.47 47.34 46.03 9.65 46.06 46.18 10.06 46.70 46.11 2 0 10.03 -999 ? S1 BTN D 700 >PHE^C 68 10.03 52.24 44.77 11.80 53.24 42.83 10.92 52.74 43.80 3 0 9.47 -999 ? O3 BTN C 600 >SER^C 69 5.22 51.47 43.66 4.72 49.33 44.63 4.97 50.40 44.14 2 0 11.56 -999 ? S1 BTN C 600 >VAL^C 70 3.54 54.50 42.08 4.84 56.21 41.57 4.19 55.35 41.83 3 0 7.92 -999 ? S1 BTN C 600 >GLY^C 71 -0.05 54.96 40.81 0.54 55.60 40.93 0.24 55.28 40.87 1 0 8.50 -999 ? C10 BTN C 600 >TRP^C 72 2.15 55.45 36.47 5.17 57.73 37.57 3.66 56.59 37.02 3 0 -3.72 -999 ? C8 BTN C 600s >ASN^C 73 -4.38 59.29 39.36 -5.99 60.76 39.68 -5.19 60.02 39.52 2 0 11.55 -999 ? C10 BTN C 600 >ASN.C 74 -0.86 63.33 41.70 -0.37 64.49 39.99 -0.62 63.91 40.85 2 0 10.27 -999 ? C10 BTN C 600 >SER.C 75 -5.41 64.70 40.69 -5.23 66.23 42.60 -5.32 65.47 41.65 2 0 15.21 -999 ? C10 BTN C 600 >THR.C 76 -3.23 66.97 38.47 -1.45 68.25 38.83 -2.34 67.61 38.65 2 0 12.90 -999 ? C10 BTN C 600 >GLU.C 77 -1.76 64.24 33.50 -0.02 64.75 32.35 -0.89 64.49 32.92 2 0 7.91 -999 ? O11 BTN C 600 >ASN^C 78 -5.77 60.53 35.64 -6.31 58.49 36.02 -6.04 59.51 35.83 2 0 9.56 -999 ? O12 BTN C 600 >CSS^C 79 -2.30 58.59 32.95 0.04 60.12 32.62 -1.13 59.35 32.79 2 0 4.08 -999 ? C10 BTN C 600 >ASN^C 80 -5.57 55.69 33.19 -6.82 53.96 33.42 -6.19 54.83 33.31 2 0 9.08 -999 ? O12 BTN C 600 >SER^C 81 -1.51 53.33 34.83 -0.08 54.95 33.78 -0.79 54.14 34.30 2 0 -2.82 -999 ? O12 BTN C 600s >ALA^C 82 0.74 52.06 37.62 0.02 51.05 38.53 0.38 51.55 38.07 2 0 8.30 -999 ? O12 BTN C 600 >THR^C 83 4.46 51.23 37.93 5.81 52.38 36.66 5.13 51.80 37.30 2 0 -3.35 -999 ? S1 BTN C 600s >GLY^C 84 6.47 49.07 40.35 6.81 49.22 39.58 6.64 49.15 39.96 1 0 7.93 -999 ? S1 BTN C 600 >TRP^C 85 11.80 51.91 39.04 8.40 53.90 39.22 10.10 52.90 39.13 3 0 4.96 -999 ? C6 BTN C 600 >THR^C 86 12.29 46.24 42.24 11.18 44.45 42.56 11.73 45.35 42.40 2 0 9.26 -999 ? S1 BTN D 700 >GLY^C 87 16.03 46.21 42.77 15.69 46.22 43.52 15.86 46.22 43.14 1 0 13.17 -999 ? O12 BTN D 700 >TYR^C 88 20.50 45.20 43.55 21.64 44.81 41.01 21.07 45.01 42.28 3 0 14.50 -999 ? O12 BTN D 700 >ALA^C 89 21.24 49.47 46.08 21.16 50.13 47.42 21.20 49.80 46.75 2 0 17.14 -999 ? O3 BTN C 600 >GLN^C 90 24.80 49.08 42.90 25.69 48.04 41.26 25.24 48.56 42.08 2 0 17.85 -999 ? N1 BTN C 600 >VAL^C 91 28.05 51.74 45.49 29.19 52.53 47.23 28.62 52.14 46.36 3 0 21.18 -999 ? O3 BTN C 600 >ASN^C 92 28.67 53.01 40.90 28.41 51.04 40.11 28.54 52.03 40.51 2 0 18.92 -999 ? N1 BTN C 600 >GLY.C 93 32.01 55.88 42.12 31.71 55.31 42.72 31.86 55.59 42.42 1 0 21.90 -999 ? O3 BTN C 600 >ASN.C 94 32.97 58.01 46.29 33.02 60.12 45.89 33.00 59.07 46.09 2 0 24.28 -999 ? O3 BTN C 600 >ASN^C 95 27.31 58.86 45.44 26.40 58.93 43.52 26.86 58.90 44.48 2 0 17.21 -999 ? O3 BTN C 600 >THR^C 96 25.26 54.99 45.87 24.51 55.25 47.92 24.88 55.12 46.90 2 0 18.28 -999 ? O3 BTN C 600 >GLU^C 97 24.45 53.83 41.07 25.51 52.75 39.53 24.98 53.29 40.30 2 0 15.62 -999 ? O3 BTN C 600 >ILE^C 98 18.25 52.57 43.79 17.27 52.67 44.86 17.76 52.62 44.32 3 0 11.97 -999 ? O3 BTN C 600 >VAL^C 99 19.47 49.55 40.16 21.22 48.59 39.26 20.34 49.07 39.71 3 0 12.49 -999 ? N1 BTN C 600 >THR^C 100 15.96 48.48 39.32 14.94 50.35 40.03 15.45 49.42 39.67 2 0 8.43 -999 ? N1 BTN C 600 >SER^C 101 13.69 46.83 36.85 13.20 44.46 37.14 13.45 45.64 37.00 2 0 10.54 -999 ? C6 BTN C 600 >TRP^C 102 12.02 50.79 35.14 9.73 51.13 31.93 10.88 50.96 33.54 3 0 -3.41 -999 ? C6 BTN C 600s >ASN^C 103 6.03 45.74 35.64 7.25 43.98 35.47 6.64 44.86 35.56 2 0 9.98 -999 ? C6 BTN C 600 >LEU^C 104 4.85 50.83 32.93 3.94 52.81 32.38 4.39 51.82 32.66 3 0 -4.54 -999 ? S1 BTN C 600s >ALA^C 105 0.74 48.44 33.60 0.10 47.74 34.76 0.42 48.09 34.18 2 0 8.73 -999 ? O12 BTN C 600 >TYR^C 106 0.28 51.06 29.27 1.40 49.97 26.92 0.84 50.51 28.09 3 0 6.71 -999 ? O12 BTN C 600 >GLU^C 107 -6.94 51.11 28.73 -7.89 49.39 29.55 -7.41 50.25 29.14 2 0 12.02 -999 ? O12 BTN C 600 >GLY^C 108 -3.38 50.26 25.48 -4.14 50.19 25.84 -3.76 50.22 25.66 1 0 10.12 -999 ? O12 BTN C 600 >GLY.C 109 -5.89 50.65 22.61 -5.58 49.95 22.88 -5.73 50.30 22.75 1 0 13.30 -999 ? O12 BTN C 600 >SER.C 110 -6.16 46.85 22.45 -4.98 46.22 20.40 -5.57 46.53 21.42 2 0 16.61 -999 ? O12 BTN C 600 >GLY^C 111 -6.69 46.87 26.21 -5.93 47.08 25.94 -6.31 46.98 26.08 1 0 13.74 -999 ? O12 BTN C 600 >PRO^C 112 -6.42 45.53 30.17 -4.95 46.44 28.74 -5.69 45.98 29.46 3 0 12.73 -999 ? O12 BTN C 600 >ALA^C 113 -0.76 45.92 28.49 -0.14 46.44 27.21 -0.45 46.18 27.85 2 0 10.75 -999 ? O12 BTN C 600 >ILE^C 114 2.55 44.68 31.67 2.55 44.18 33.05 2.55 44.43 32.36 3 0 11.42 -999 ? O12 BTN C 600 >GLU^C 115 6.96 49.11 28.02 7.57 51.14 27.81 7.26 50.13 27.91 2 0 7.11 -999 ? C2 BTN C 600 >GLN^C 116 8.34 44.24 31.41 9.04 42.24 31.61 8.69 43.24 31.51 2 0 11.81 -999 ? C6 BTN C 600 >GLY^C 117 12.37 48.46 31.56 12.17 48.08 32.27 12.27 48.27 31.91 1 0 6.82 -999 ? C6 BTN C 600 >GLN.C 118 16.22 47.32 32.55 15.39 45.53 33.41 15.81 46.42 32.98 2 0 10.41 -999 ? C6 BTN C 600 >ASP.C 119 14.79 53.24 36.70 13.34 53.99 35.36 14.07 53.62 36.03 2 0 -2.95 -999 ? N1 BTN C 600s >THR^C 120 19.09 53.13 37.75 21.07 52.35 37.27 20.08 52.74 37.51 2 0 11.00 -999 ? N1 BTN C 600 >PHE^C 121 16.34 55.64 40.83 13.85 55.07 39.85 15.09 55.35 40.34 3 0 6.51 -999 ? O3 BTN C 600 >GLN^C 122 22.62 57.79 39.18 24.63 57.18 38.71 23.63 57.48 38.95 2 0 13.82 -999 ? O3 BTN C 600 >TYR^C 123 22.38 59.96 47.41 22.33 61.84 49.46 22.36 60.90 48.44 3 0 17.32 -999 ? O3 BTN C 600 >VAL^C 124 21.53 63.44 44.90 20.64 64.49 43.14 21.09 63.96 44.02 3 0 14.48 -999 ? O3 BTN C 600 >PRO.C 125 24.61 66.07 46.51 22.72 65.15 47.27 23.66 65.61 46.89 3 0 18.64 -999 ? O3 BTN C 600 >THR.C 126 20.88 68.39 49.52 19.65 68.38 51.33 20.26 68.38 50.42 2 0 14.00 -999 ? O12 BTN E 800 >THR.C 127 21.55 71.93 48.37 21.78 72.68 46.35 21.66 72.30 47.36 2 0 13.34 -999 ? O11 BTN E 800 >GLU.C 128 23.00 73.53 52.35 21.96 72.66 54.01 22.48 73.09 53.18 2 0 12.46 -999 ? O12 BTN E 800 >SER.D 218 -9.15 38.28 50.70 -11.06 37.97 52.20 -10.11 38.12 51.45 2 0 15.78 -999 ? O3 BTN D 700 >TRP.D 219 -7.61 40.79 47.61 -9.22 41.12 44.03 -8.42 40.96 45.82 3 0 12.96 -999 ? O3 BTN D 700 >GLN.D 220 -6.40 32.25 47.50 -6.59 30.11 47.60 -6.50 31.18 47.55 2 0 10.59 -999 ? O3 BTN D 700 >SER.D 223 -0.55 28.92 41.87 -1.67 26.72 41.92 -1.11 27.82 41.89 2 0 9.68 -999 ? O3 BTN D 700 >GLY.D 224 -0.11 29.70 45.59 -0.10 30.22 44.94 -0.10 29.96 45.27 1 0 -5.62 -999 ? O3 BTN D 700s >SER.D 225 -1.55 33.12 46.52 -3.38 33.61 44.99 -2.46 33.37 45.75 2 0 6.28 -999 ? O3 BTN D 700 >THR^D 226 -2.92 34.66 49.74 -2.91 33.77 51.74 -2.92 34.21 50.74 2 0 8.48 -999 ? O3 BTN D 700 >MET^D 227 -2.99 38.40 50.34 -2.15 40.81 46.98 -2.57 39.61 48.66 2 0 8.17 -999 ? O3 BTN D 700 >ILE^D 228 -6.36 39.99 53.61 -5.93 38.73 54.45 -6.15 39.36 54.03 3 0 13.27 -999 ? O3 BTN D 700 >ILE^D 229 -4.89 44.11 49.59 -4.64 43.87 48.33 -4.77 43.99 48.96 3 0 12.62 -999 ? O3 BTN D 700 >GLN^D 230 -6.80 46.56 54.86 -5.08 46.40 56.13 -5.94 46.48 55.49 2 0 17.78 -999 ? O3 BTN D 700 >VAL^D 231 -7.34 49.95 49.82 -7.33 49.48 47.63 -7.33 49.72 48.72 3 0 18.57 -999 ? O3 BTN D 700 >ASP.D 232 -7.26 54.26 52.21 -5.71 55.42 51.32 -6.48 54.84 51.76 2 0 20.14 -999 ? C10 BTN C 600 >SER.D 233 -9.72 56.09 48.97 -11.06 57.83 50.04 -10.39 56.96 49.51 2 0 21.91 -999 ? C10 BTN C 600 >PHE.D 234 -6.59 59.69 50.17 -8.19 61.53 51.51 -7.39 60.61 50.84 3 0 20.64 -999 ? C10 BTN C 600 >GLY.D 235 -5.22 55.00 46.31 -5.04 55.10 47.08 -5.13 55.05 46.70 1 0 15.62 -999 ? C10 BTN C 600 >ASN^D 236 -2.80 54.24 50.49 -1.45 55.87 50.48 -2.13 55.06 50.48 2 0 17.82 -999 ? C10 BTN C 600 >VAL^D 237 -2.69 49.91 49.33 -3.00 48.43 47.76 -2.84 49.17 48.55 3 0 16.01 -999 ? O3 BTN D 700 >SER^D 238 -1.94 48.26 52.64 -1.76 49.14 54.87 -1.85 48.70 53.76 2 0 17.95 -999 ? O3 BTN D 700 >GLY^D 239 -2.05 44.74 53.96 -1.28 44.97 54.03 -1.67 44.86 54.00 1 0 14.13 -999 ? O3 BTN D 700 >GLN^D 240 -0.66 41.88 57.16 1.02 43.11 57.72 0.18 42.50 57.44 2 0 14.95 -999 ? O11 BTN D 700 >TYR^D 241 2.29 38.59 49.96 2.01 37.27 47.51 2.15 37.93 48.73 3 0 -4.73 -999 ? O3 BTN D 700s >VAL^D 242 1.41 35.26 53.39 0.38 34.62 55.26 0.90 34.94 54.32 3 0 9.00 -999 ? O3 BTN D 700 >ASN.D 243 4.88 33.70 50.63 5.82 32.74 49.00 5.35 33.22 49.82 2 0 -3.27 -999 ? C7 BTN D 700s >ARG.D 244 -1.23 29.72 51.01 -0.37 30.19 53.94 -0.80 29.96 52.47 2 0 9.96 -999 ? O3 BTN D 700 >ALA.D 245 4.04 28.82 46.36 4.20 29.88 45.28 4.12 29.35 45.82 2 0 4.12 -999 ? N2 BTN D 700 >GLN.D 246 6.80 23.17 46.26 6.15 21.38 45.25 6.47 22.28 45.75 2 0 12.54 -999 ? N2 BTN D 700 >GLY.D 247 9.95 26.03 47.73 9.45 26.59 47.45 9.70 26.31 47.59 1 0 8.04 -999 ? C9 BTN D 700 >THR.D 248 10.79 29.74 47.97 8.76 30.34 47.33 9.77 30.04 47.65 2 0 -3.87 -999 ? C9 BTN D 700s >GLY.D 249 11.46 31.07 51.48 10.64 31.16 51.17 11.05 31.11 51.32 1 0 4.57 -999 ? C11 BTN D 700 >CSS.D 250 9.50 33.20 53.94 11.49 35.16 54.28 10.50 34.18 54.11 2 0 4.44 -999 ? O11 BTN D 700 >GLN.D 251 7.39 29.12 52.03 6.33 28.40 50.29 6.86 28.76 51.16 2 0 6.80 -999 ? C9 BTN D 700 >ASN.D 252 2.81 29.73 55.65 2.94 28.57 53.87 2.87 29.15 54.76 2 0 10.14 -999 ? N2 BTN D 700 >SER.D 253 3.69 34.19 57.76 6.12 34.07 57.25 4.90 34.13 57.50 2 0 9.00 -999 ? O11 BTN D 700 >PRO.D 254 2.64 37.54 60.41 2.64 37.13 58.19 2.64 37.33 59.30 3 0 12.82 -999 ? O11 BTN D 700 >TYR^D 255 6.49 38.60 54.95 8.72 37.22 55.93 7.60 37.91 55.44 3 0 7.06 -999 ? O11 BTN D 700 >PRO^D 256 5.28 43.84 57.37 4.16 43.06 55.58 4.72 43.45 56.48 3 0 12.24 -999 ? O11 BTN D 700 >LEU^D 257 1.83 43.57 51.21 0.05 43.67 49.92 0.94 43.62 50.56 3 0 10.58 -999 ? O3 BTN D 700 >THR^D 258 2.27 48.13 50.41 3.60 49.81 50.74 2.93 48.97 50.58 2 0 15.09 -999 ? S1 BTN D 700 >GLY^D 259 1.20 49.60 47.08 0.84 50.06 47.64 1.02 49.83 47.36 1 0 14.71 -999 ? S1 BTN D 700 >ARG^D 260 0.41 54.64 46.40 -1.68 56.90 46.49 -0.63 55.77 46.44 2 0 14.01 -999 ? C10 BTN C 600 >VAL^D 261 -4.01 51.61 42.94 -5.57 50.63 44.18 -4.79 51.12 43.56 3 0 14.17 -999 ? O12 BTN C 600 >ASN^D 262 -3.90 54.36 39.06 -4.64 56.02 37.91 -4.27 55.19 38.48 2 0 8.84 -999 ? O12 BTN C 600 >GLY.D 263 -8.43 52.74 38.65 -7.79 52.27 39.03 -8.11 52.51 38.84 1 0 12.70 -999 ? O12 BTN C 600 >THR.D 264 -8.07 49.19 37.55 -8.62 48.24 35.70 -8.35 48.72 36.63 2 0 13.52 -999 ? O12 BTN C 600 >PHE^D 265 -3.85 49.95 35.41 -4.81 49.97 32.81 -4.33 49.96 34.11 3 0 8.85 -999 ? O12 BTN C 600 >ILE^D 266 -3.05 47.15 41.63 -3.27 46.07 42.46 -3.16 46.61 42.04 3 0 13.95 -999 ? O3 BTN D 700 >ALA^D 267 1.34 47.81 42.02 2.25 48.84 41.35 1.79 48.33 41.69 2 0 10.20 -999 ? S1 BTN C 600 >PHE^D 268 0.89 44.56 45.42 -0.15 42.32 44.12 0.37 43.44 44.77 3 0 9.30 -999 ? O3 BTN D 700 >SER^D 269 5.77 45.77 47.21 6.39 48.03 46.57 6.08 46.90 46.89 2 0 11.80 -999 ? S1 BTN D 700 >VAL^D 270 6.92 43.20 49.81 5.69 41.44 50.33 6.31 42.32 50.07 3 0 7.91 -999 ? S1 BTN D 700 >GLY^D 271 10.20 43.20 51.69 9.47 42.71 51.79 9.83 42.95 51.74 1 0 8.11 -999 ? O11 BTN D 700 >TRP.D 272 10.90 38.88 49.46 7.26 37.53 50.18 9.08 38.20 49.82 3 0 -3.49 -999 ? O11 BTN D 700s >ASN.D 273 12.68 41.29 56.64 13.72 41.49 58.49 13.20 41.39 57.57 2 0 10.91 -999 ? O11 BTN D 700 >ASN.D 274 7.54 39.54 59.14 7.77 37.41 58.94 7.66 38.47 59.04 2 0 9.88 -999 ? O11 BTN D 700 >SER.D 275 11.18 40.11 62.43 11.22 41.08 64.68 11.20 40.60 63.55 2 0 15.89 -999 ? O11 BTN D 700 >THR.D 276 10.85 36.28 62.53 8.98 35.43 63.24 9.91 35.86 62.89 2 0 13.54 -999 ? O11 BTN D 700 >GLU.D 277 12.24 32.97 57.58 11.11 31.85 56.17 11.67 32.41 56.88 2 0 7.21 -999 ? O11 BTN D 700 >ASN.D 278 15.62 37.61 57.54 16.53 39.28 56.57 16.08 38.44 57.06 2 0 9.49 -999 ? O11 BTN D 700 >CSS.D 279 14.84 35.86 53.05 12.68 34.16 52.95 13.76 35.01 53.00 2 0 -3.67 -999 ? O11 BTN D 700s >ASN.D 280 18.43 38.49 52.49 19.91 39.79 51.65 19.17 39.14 52.07 2 0 8.93 -999 ? O12 BTN D 700 >SER.D 281 14.97 39.99 49.26 13.91 37.80 49.35 14.44 38.90 49.30 2 0 -3.06 -999 ? O12 BTN D 700s >ALA^D 282 12.02 42.03 47.86 12.33 43.52 47.92 12.18 42.78 47.89 2 0 8.49 -999 ? O11 BTN D 700 >THR^D 283 9.21 41.56 45.34 8.60 39.55 44.87 8.91 40.56 45.10 2 0 -3.42 -999 ? S1 BTN D 700s >GLY^D 284 7.20 44.08 43.32 7.21 43.31 43.01 7.21 43.70 43.17 1 0 7.87 -999 ? S1 BTN D 700 >TRP^D 285 2.99 39.95 41.92 4.65 39.71 45.49 3.82 39.83 43.71 3 0 -4.69 -999 ? C6 BTN D 700s >THR^D 286 2.30 45.37 38.84 3.73 46.89 38.30 3.01 46.13 38.57 2 0 9.23 -999 ? S1 BTN C 600 >GLY^D 287 -0.94 44.68 36.95 -1.10 45.32 37.31 -1.02 45.00 37.13 1 0 12.53 -999 ? O12 BTN C 600 >TYR^D 288 -4.26 44.72 33.55 -3.53 42.93 31.50 -3.89 43.82 32.52 3 0 13.36 -999 ? O12 BTN C 600 >ALA.D 289 -8.08 44.08 37.10 -8.59 44.53 38.45 -8.33 44.31 37.78 2 0 16.73 -999 ? O12 BTN C 600 >ILE.D 298 -4.89 40.59 40.28 -5.25 42.00 40.83 -5.07 41.30 40.55 3 0 11.54 -999 ? O3 BTN D 700 >VAL.D 299 -2.91 40.07 35.80 -3.35 40.00 33.58 -3.13 40.04 34.69 3 0 12.86 -999 ? N1 BTN D 700 >THR.D 300 0.22 40.94 37.78 0.47 40.09 39.78 0.35 40.51 38.78 2 0 7.64 -999 ? N1 BTN D 700 >SER.D 301 3.90 40.49 36.87 3.39 40.88 34.54 3.64 40.69 35.71 2 0 10.55 -999 ? C6 BTN D 700 >TRP^D 302 5.46 37.14 39.70 9.03 35.49 39.85 7.24 36.32 39.78 3 0 -3.67 -999 ? C6 BTN D 700s >ASN^D 303 10.91 42.36 39.43 10.55 42.71 37.34 10.73 42.53 38.38 2 0 9.87 -999 ? C6 BTN D 700 >LEU^D 304 11.84 38.01 43.15 12.05 37.09 45.16 11.94 37.55 44.16 3 0 4.85 -999 ? S1 BTN D 700 >ALA^D 305 15.41 41.13 43.93 15.52 42.62 44.16 15.47 41.87 44.05 2 0 9.35 -999 ? O12 BTN D 700 >TYR^D 306 17.14 36.11 44.18 18.04 34.83 41.84 17.59 35.47 43.01 3 0 7.48 -999 ? O12 BTN D 700 >GLU^D 307 22.82 37.46 48.22 23.99 39.20 47.94 23.41 38.33 48.08 2 0 11.87 -999 ? O12 BTN D 700 >GLY^D 308 22.41 35.50 44.05 22.88 35.72 44.69 22.65 35.61 44.37 1 0 10.63 -999 ? O12 BTN D 700 >GLY.D 309 25.28 33.00 43.94 25.30 33.80 43.82 25.29 33.40 43.88 1 0 13.42 -999 ? O12 BTN D 700 >SER.D 310 27.66 35.83 43.01 27.23 35.29 40.67 27.45 35.56 41.84 2 0 16.46 -999 ? O12 BTN D 700 >GLY^D 311 25.79 39.03 44.15 25.27 38.40 43.94 25.53 38.71 44.04 1 0 14.27 -999 ? O12 BTN D 700 >PRO^D 312 23.44 42.65 44.38 23.03 40.51 43.82 23.24 41.58 44.10 3 0 13.13 -999 ? O12 BTN D 700 >ALA^D 313 19.90 39.49 41.00 20.25 38.03 40.66 20.07 38.76 40.83 2 0 11.40 -999 ? O12 BTN D 700 >ILE^D 314 15.93 41.26 39.23 15.63 42.60 39.23 15.78 41.93 39.23 3 0 11.63 -999 ? S1 BTN D 700 >GLU^D 315 13.28 35.23 39.67 12.57 33.27 39.23 12.93 34.25 39.45 2 0 7.82 -999 ? C6 BTN D 700 >GLN^D 316 11.97 39.00 34.45 12.05 39.51 32.37 12.01 39.26 33.41 2 0 12.79 -999 ? C6 BTN D 700 >GLY^D 317 7.20 36.06 36.25 7.07 36.88 36.17 7.14 36.47 36.21 1 0 7.14 -999 ? C6 BTN D 700 >GLN.D 318 4.10 36.58 33.73 3.43 37.33 31.83 3.77 36.95 32.78 2 0 12.01 -999 ? C6 BTN D 700 >ASP.D 319 0.95 36.31 40.34 2.80 35.60 41.12 1.88 35.95 40.73 2 0 -3.16 -999 ? N1 BTN D 700s >THR.D 320 -3.04 35.91 38.21 -3.75 35.58 36.18 -3.39 35.74 37.20 2 0 11.15 -999 ? N1 BTN D 700 >PHE.D 321 -3.40 37.53 42.90 -0.77 37.61 43.91 -2.08 37.57 43.41 3 0 6.16 -999 ? O3 BTN D 700 >SER.E 10 -16.12 73.49 51.56 -18.53 73.47 52.01 -17.33 73.48 51.79 2 0 23.85 -999 ? N1 BTN E 800 >SER.E 11 -16.46 69.74 50.71 -17.85 67.75 50.62 -17.16 68.75 50.66 2 0 25.29 -999 ? O3 BTN E 800 >ILE.E 12 -12.65 68.45 48.22 -12.11 69.67 47.62 -12.38 69.06 47.92 3 0 19.68 -999 ? O3 BTN E 800 >ALA.E 13 -13.05 65.34 52.05 -13.72 65.52 53.41 -13.39 65.43 52.73 2 0 23.83 -999 ? O3 BTN E 800 >SER.E 14 -11.53 61.95 51.14 -12.59 60.63 52.85 -12.06 61.29 52.00 2 0 25.23 -999 ? C10 BTN C 600 >ALA.E 15 -10.55 63.47 47.77 -11.61 64.29 46.97 -11.08 63.88 47.37 2 0 21.17 -999 ? C10 BTN C 600 >SER^E 16 -7.23 64.65 46.22 -4.96 63.83 45.72 -6.10 64.24 45.97 2 0 16.08 -999 ? C10 BTN C 600 >SER^E 17 -7.15 68.17 44.67 -8.10 69.69 46.35 -7.62 68.93 45.51 2 0 15.87 -999 ? O3 BTN E 800 >SER^E 18 -4.76 70.60 42.95 -3.87 68.72 41.73 -4.31 69.66 42.34 2 0 14.65 -999 ? O3 BTN E 800 >TRP^E 19 -5.64 72.53 45.79 -9.26 74.17 45.84 -7.45 73.35 45.82 3 0 13.20 -999 ? O3 BTN E 800 >GLN^E 20 -1.14 77.78 39.64 -1.28 78.04 37.54 -1.21 77.91 38.59 2 0 10.67 -999 ? O3 BTN E 800 >ASN^E 21 -1.01 80.79 44.58 1.09 80.79 44.65 0.04 80.79 44.61 2 0 -3.45 -999 ? O3 BTN E 800s >GLN.E 22 -0.87 85.90 43.07 -0.75 84.81 44.93 -0.81 85.36 44.00 2 0 6.56 -999 ? N1 BTN E 800 >SER.E 23 2.81 83.32 41.46 2.97 84.28 43.65 2.89 83.80 42.56 2 0 5.17 -999 ? O3 BTN E 800 >GLY.E 24 2.62 79.96 39.61 2.59 79.95 40.41 2.61 79.96 40.01 1 0 7.16 -999 ? O3 BTN E 800 >SER.E 25 3.02 77.76 42.72 4.45 79.14 44.14 3.73 78.45 43.43 2 0 -2.80 -999 ? O3 BTN E 800s >THR^E 26 0.99 74.59 42.90 1.56 73.71 40.93 1.27 74.15 41.91 2 0 8.93 -999 ? O3 BTN E 800 >MET^E 27 -0.13 72.28 45.66 -1.93 74.29 48.93 -1.03 73.29 47.29 2 0 8.53 -999 ? O3 BTN E 800 >ILE^E 28 -0.92 67.69 44.87 -0.94 66.84 43.61 -0.93 67.27 44.24 3 0 13.96 -999 ? O3 BTN E 800 >ILE^E 29 -4.24 69.32 49.50 -4.63 70.83 49.47 -4.44 70.08 49.49 3 0 13.34 -999 ? O3 BTN E 800 >GLN^E 30 -4.26 63.03 49.53 -2.43 63.66 48.64 -3.35 63.34 49.08 2 0 17.40 -999 ? C10 BTN C 600 >VAL^E 31 -8.26 65.98 52.93 -9.54 67.80 53.05 -8.90 66.89 52.99 3 0 19.44 -999 ? O3 BTN E 800 >ASP.E 32 -8.51 61.97 55.76 -8.03 62.76 57.69 -8.27 62.37 56.73 2 0 23.77 -999 ? O3 BTN E 800 >SER.E 33 -12.83 62.60 56.73 -13.04 60.22 56.88 -12.94 61.41 56.81 2 0 28.05 -999 ? O3 BTN E 800 >PHE.E 34 -10.61 61.25 60.74 -11.40 58.57 60.91 -11.01 59.91 60.82 3 0 28.80 -999 ? C6 BTN E 800 >GLY.E 35 -10.12 66.98 58.67 -9.64 66.41 58.65 -9.88 66.70 58.66 1 0 22.43 -999 ? C6 BTN E 800 >ASN^E 36 -5.71 64.85 58.49 -3.54 64.92 58.35 -4.63 64.88 58.42 2 0 20.29 -999 ? S1 BTN E 800 >VAL^E 37 -4.75 67.86 55.14 -5.16 69.87 54.25 -4.96 68.87 54.70 3 0 16.41 -999 ? O3 BTN E 800 >SER^E 38 -1.70 66.16 53.61 -1.30 64.21 54.95 -1.50 65.18 54.28 2 0 18.70 -999 ? O3 BTN E 800 >GLY^E 39 0.11 66.83 50.39 0.65 67.04 50.96 0.38 66.94 50.68 1 0 14.34 -999 ? O3 BTN E 800 >GLN^E 40 3.75 66.12 48.12 5.60 65.94 49.21 4.67 66.03 48.66 2 0 14.33 -999 ? C8 BTN E 800 >TYR^E 41 3.53 74.46 48.40 2.62 77.07 47.83 3.07 75.76 48.12 3 0 -4.70 -999 ? O3 BTN E 800s >VAL^E 42 5.78 73.29 44.53 6.41 72.07 42.79 6.10 72.68 43.66 3 0 8.38 -999 ? O3 BTN E 800 >ASN.E 43 7.91 77.28 46.15 8.59 79.29 46.04 8.25 78.29 46.10 2 0 -3.47 -999 ? C7 BTN E 800s >ARG.E 44 6.29 76.82 39.03 4.84 74.16 39.51 5.56 75.49 39.27 2 0 9.39 -999 ? O3 BTN E 800 >ALA.E 45 7.35 82.64 43.36 7.00 82.97 44.80 7.18 82.80 44.08 2 0 -3.45 -999 ? N2 BTN E 800s >GLN.E 46 11.10 85.67 39.51 10.90 87.05 37.85 11.00 86.36 38.68 2 0 10.19 -999 ? O3 BTN A 400 >GLY.E 47 12.81 85.86 44.09 12.51 85.16 44.17 12.66 85.51 44.13 1 0 7.52 -999 ? O11 BTN E 800 >THR.E 48 12.62 82.90 46.56 10.41 82.67 46.56 11.52 82.79 46.56 2 0 -3.67 -999 ? C7 BTN E 800s >GLY.E 49 14.65 79.74 47.08 13.83 79.80 47.14 14.24 79.77 47.11 1 0 -4.15 -999 ? O11 BTN E 800s >CSS.E 50 13.37 76.18 47.05 14.26 75.79 49.64 13.81 75.98 48.34 2 0 5.26 -999 ? C10 BTN E 800 >GLN.E 51 11.68 78.84 43.27 11.76 80.30 41.72 11.72 79.57 42.50 2 0 8.14 -999 ? C7 BTN E 800 >ASN.E 52 11.55 73.68 40.26 11.37 75.69 39.58 11.46 74.69 39.92 2 0 11.28 -999 ? O3 BTN E 800 >SER.E 53 10.85 70.48 43.91 12.43 71.11 45.70 11.64 70.80 44.81 2 0 9.86 -999 ? C10 BTN E 800 >PRO^E 54 8.30 67.10 44.95 8.44 69.28 45.55 8.37 68.19 45.25 3 0 12.58 -999 ? C8 BTN E 800 >TYR^E 55 9.57 71.88 49.87 12.11 72.51 48.98 10.84 72.20 49.42 3 0 7.56 -999 ? C10 BTN E 800 >PRO^E 56 7.71 66.88 52.88 6.30 68.34 51.91 7.01 67.61 52.39 3 0 12.76 -999 ? C8 BTN E 800 >LEU^E 57 1.70 70.36 52.05 -0.12 71.42 51.84 0.79 70.89 51.94 3 0 11.10 -999 ? O3 BTN E 800 >THR^E 58 0.34 69.35 56.22 0.97 68.66 58.15 0.65 69.00 57.19 2 0 15.30 -999 ? S1 BTN E 800 >GLY^E 59 -2.68 71.17 57.69 -2.89 70.37 57.67 -2.78 70.77 57.68 1 0 14.71 -999 ? C6 BTN E 800 >ARG^E 60 -5.53 69.14 61.58 -7.83 67.15 61.92 -6.68 68.14 61.75 2 0 22.31 -999 ? C6 BTN E 800 >VAL^E 61 -9.70 71.95 57.49 -9.98 70.57 55.75 -9.84 71.26 56.62 3 0 18.77 -999 ? N1 BTN E 800 >ASN^E 62 -12.52 73.70 60.68 -14.22 73.91 61.93 -13.37 73.81 61.30 2 0 23.33 -999 ? C6 BTN E 800 >GLY.E 63 -15.82 73.68 57.21 -15.00 73.63 57.01 -15.41 73.65 57.11 1 0 22.69 -999 ? N1 BTN E 800 >THR.E 64 -14.71 76.15 54.58 -16.32 77.62 54.31 -15.51 76.89 54.45 2 0 21.12 -999 ? N1 BTN E 800 >PHE^E 65 -12.90 78.78 58.14 -14.87 80.69 57.94 -13.89 79.73 58.04 3 0 19.98 -999 ? N1 BTN E 800 >ILE^E 66 -7.89 75.41 54.65 -7.16 75.24 53.46 -7.52 75.33 54.05 3 0 13.90 -999 ? N1 BTN E 800 >ALA^E 67 -4.72 76.21 57.65 -4.65 76.54 59.15 -4.68 76.37 58.40 2 0 13.61 -999 ? C6 BTN E 800 >PHE^E 68 -1.92 74.77 53.78 -2.09 76.50 51.59 -2.00 75.63 52.69 3 0 9.16 -999 ? N1 BTN E 800 >SER^E 69 2.10 74.54 56.76 1.34 74.24 59.12 1.72 74.39 57.94 2 0 11.78 -999 ? S1 BTN E 800 >VAL^E 70 5.29 73.90 54.80 5.29 73.79 52.54 5.29 73.85 53.67 3 0 7.77 -999 ? S1 BTN E 800 >GLY^E 71 8.87 73.52 55.96 8.62 73.35 55.18 8.75 73.43 55.57 1 0 8.58 -999 ? O12 BTN E 800 >TRP^E 72 9.74 77.44 53.54 7.81 76.40 50.27 8.77 76.92 51.91 3 0 -3.71 -999 ? C9 BTN E 800s >ASN^E 73 14.43 71.13 54.69 16.24 69.98 54.43 15.33 70.56 54.56 2 0 11.30 -999 ? O12 BTN E 800 >ASN.E 74 11.85 68.42 50.22 12.79 69.32 48.51 12.32 68.87 49.36 2 0 10.72 -999 ? C10 BTN E 800 >SER.E 75 16.37 66.96 51.08 15.60 64.77 50.33 15.99 65.86 50.71 2 0 15.70 -999 ? C10 BTN E 800 >THR.E 76 16.73 68.31 47.55 15.82 67.89 45.65 16.27 68.10 46.60 2 0 13.64 -999 ? C10 BTN E 800 >GLU.E 77 17.31 74.35 47.75 16.62 75.78 46.29 16.97 75.06 47.02 2 0 8.01 -999 ? O11 BTN E 800 >ASN^E 78 17.71 72.91 53.31 17.30 73.73 55.26 17.51 73.32 54.28 2 0 8.86 -999 ? O12 BTN E 800 >CSS^E 79 16.07 77.21 52.64 14.90 77.66 50.05 15.49 77.44 51.35 2 0 -4.16 -999 ? O12 BTN E 800s >ASN^E 80 17.35 77.74 57.10 18.39 76.33 58.28 17.87 77.03 57.69 2 0 9.60 -999 ? O12 BTN E 800 >SER^E 81 12.59 78.62 56.56 12.11 80.23 54.83 12.35 79.42 55.70 2 0 -2.86 -999 ? O12 BTN E 800s >ALA^E 82 8.95 77.67 57.02 8.78 77.04 58.38 8.86 77.35 57.70 2 0 8.00 -999 ? O12 BTN E 800 >THR^E 83 5.58 79.09 55.95 5.78 80.17 53.99 5.68 79.63 54.97 2 0 -3.30 -999 ? S1 BTN E 800s >GLY^E 84 2.03 78.86 57.26 2.17 79.49 56.78 2.10 79.18 57.02 1 0 7.62 -999 ? C6 BTN E 800 >TRP^E 85 -0.26 80.14 51.79 2.91 77.75 52.02 1.33 78.94 51.90 3 0 4.59 -999 ? C6 BTN E 800 >THR^E 86 -4.60 80.24 56.74 -4.64 80.55 58.89 -4.62 80.40 57.82 2 0 12.41 -999 ? C6 BTN E 800 >GLY^E 87 -7.87 81.15 55.10 -7.93 80.34 55.28 -7.90 80.74 55.19 1 0 13.22 -999 ? N1 BTN E 800 >TYR^E 88 -12.05 82.17 53.50 -11.73 84.75 52.48 -11.89 83.46 52.99 3 0 16.24 -999 ? N1 BTN E 800 >ALA^E 89 -12.52 78.23 50.36 -12.97 76.81 50.28 -12.74 77.52 50.32 2 0 17.36 -999 ? N1 BTN E 800 >GLN^E 90 -13.82 82.29 47.92 -13.92 84.36 48.12 -13.87 83.32 48.02 2 0 17.77 -999 ? N1 BTN E 800 >VAL^E 91 -16.86 79.65 44.95 -18.58 78.31 44.49 -17.72 78.98 44.72 3 0 21.66 -999 ? O3 BTN E 800 >ASN^E 92 -14.45 83.22 43.03 -14.03 84.94 41.87 -14.24 84.08 42.45 2 0 19.08 -999 ? O3 BTN E 800 >GLY.E 93 -17.97 82.54 39.63 -17.73 81.91 40.13 -17.85 82.23 39.88 1 0 23.02 -999 ? O3 BTN E 800 >ASN.E 94 -16.87 79.32 36.30 -15.05 80.31 35.69 -15.96 79.81 35.99 2 0 20.14 -999 ? O11 BTN A 400 >ASN^E 95 -12.88 78.41 39.36 -11.46 76.80 39.53 -12.17 77.61 39.45 2 0 17.19 -999 ? O3 BTN E 800 >THR^E 96 -13.49 77.62 43.70 -13.40 75.71 44.74 -13.45 76.67 44.22 2 0 17.89 -999 ? O3 BTN E 800 >GLU^E 97 -11.42 82.10 44.86 -10.86 84.01 44.10 -11.14 83.06 44.48 2 0 15.37 -999 ? N1 BTN E 800 >ILE^E 98 -7.82 78.28 48.89 -7.57 77.01 49.55 -7.69 77.64 49.22 3 0 12.01 -999 ? N1 BTN E 800 >VAL^E 99 -7.98 82.94 49.90 -9.20 84.77 49.63 -8.59 83.86 49.77 3 0 12.48 -999 ? N1 BTN E 800 >THR^E 100 -5.09 82.96 52.39 -4.08 81.25 51.49 -4.59 82.10 51.94 2 0 8.24 -999 ? N1 BTN E 800 >SER^E 101 -2.55 85.04 54.28 -4.18 86.40 55.41 -3.37 85.72 54.85 2 0 10.95 -999 ? C6 BTN E 800 >TRP^E 102 1.11 83.93 51.38 4.63 85.73 51.78 2.87 84.83 51.58 3 0 -3.53 -999 ? C6 BTN E 800s >ASN^E 103 3.60 84.15 58.85 2.11 85.56 59.53 2.86 84.86 59.19 2 0 9.81 -999 ? C6 BTN E 800 >LEU^E 104 7.65 83.55 54.94 9.33 82.73 53.72 8.49 83.14 54.33 3 0 4.67 -999 ? S1 BTN E 800 >ALA^E 105 9.77 82.59 59.08 9.39 81.73 60.31 9.58 82.16 59.69 2 0 8.94 -999 ? O12 BTN E 800 >TYR^E 106 13.13 84.68 56.33 12.80 87.49 56.13 12.96 86.08 56.23 3 0 7.20 -999 ? O12 BTN E 800 >GLU^E 107 19.18 82.99 59.98 18.94 81.90 61.77 19.06 82.45 60.88 2 0 11.92 -999 ? O12 BTN E 800 >GLY.E 108 17.17 87.33 58.13 17.73 87.01 58.64 17.45 87.17 58.38 1 0 10.52 -999 ? O12 BTN E 800 >GLY.E 109 19.97 89.96 58.24 19.59 89.51 58.85 19.78 89.74 58.55 1 0 13.81 -999 ? O12 BTN E 800 >SER.E 110 19.83 90.17 62.05 17.38 90.37 62.24 18.61 90.27 62.15 2 0 15.23 -999 ? O12 BTN E 800 >GLY.E 111 18.50 86.72 63.13 17.95 87.23 62.68 18.23 86.97 62.90 1 0 14.27 -999 ? O12 BTN E 800 >PRO^E 112 15.88 83.46 64.26 15.79 85.19 62.85 15.84 84.32 63.56 3 0 12.74 -999 ? O12 BTN E 800 >ALA^E 113 12.40 87.14 61.16 13.01 88.24 60.32 12.70 87.69 60.74 2 0 11.53 -999 ? O12 BTN E 800 >ILE^E 114 7.80 86.61 60.92 6.93 85.85 61.76 7.37 86.23 61.34 3 0 11.72 -999 ? C6 BTN E 800 >GLU^E 115 7.63 88.94 54.13 8.58 88.75 52.24 8.10 88.85 53.18 2 0 7.45 -999 ? C2 BTN E 800 >GLN^E 116 3.25 89.45 58.08 1.60 89.90 59.35 2.42 89.67 58.72 2 0 12.12 -999 ? C6 BTN E 800 >GLY^E 117 1.82 88.03 52.51 1.35 87.69 53.10 1.58 87.86 52.80 1 0 6.85 -999 ? C5 BTN E 800 >GLN^E 118 -3.66 88.22 50.47 -4.35 90.18 51.05 -4.00 89.20 50.76 2 0 11.78 -999 ? C5 BTN E 800 >ASP^E 119 -1.10 82.69 48.56 0.95 82.78 48.08 -0.07 82.73 48.32 2 0 -2.98 -999 ? N1 BTN E 800s >THR^E 120 -5.03 83.15 46.41 -6.80 84.39 46.00 -5.92 83.77 46.21 2 0 11.11 -999 ? N1 BTN E 800 >PHE^E 121 -3.81 78.52 46.79 -1.36 78.61 48.07 -2.58 78.57 47.43 3 0 6.64 -999 ? O3 BTN E 800 >GLN^E 122 -7.58 80.70 40.58 -9.74 80.93 40.66 -8.66 80.82 40.62 2 0 14.84 -999 ? O3 BTN E 800 >TYR^E 123 -10.38 73.31 41.54 -10.74 70.64 40.87 -10.56 71.98 41.21 3 0 17.43 -999 ? O3 BTN E 800 >VAL^E 124 -6.95 73.16 38.94 -4.82 73.23 38.51 -5.89 73.19 38.73 3 0 14.34 -999 ? O3 BTN E 800 >PRO.E 125 -9.74 72.01 35.68 -8.69 71.10 37.45 -9.21 71.56 36.57 3 0 18.60 -999 ? O3 BTN E 800 >THR.E 126 -7.32 67.09 36.41 -7.36 65.31 37.67 -7.34 66.20 37.04 2 0 13.74 -999 ? C10 BTN C 600 >THR.E 127 -5.99 66.28 32.93 -4.48 67.32 31.78 -5.23 66.80 32.36 2 0 12.26 -999 ? O11 BTN C 600 >GLU.E 128 -8.70 62.70 34.06 -10.09 61.53 35.07 -9.40 62.12 34.56 2 0 13.68 -999 ? O12 BTN C 600 >SER.F 14 24.71 52.44 27.96 24.66 50.18 28.97 24.68 51.31 28.47 2 0 15.84 -999 ? N1 BTN C 600 >ALA.F 15 26.24 53.13 24.53 27.60 52.42 24.29 26.92 52.78 24.41 2 0 19.94 -999 ? N1 BTN C 600 >SER.F 16 24.40 54.74 21.60 22.85 56.23 20.52 23.62 55.49 21.06 2 0 16.76 -999 ? C10 BTN B 500 >SER^F 17 26.41 53.32 18.67 26.69 50.92 19.22 26.55 52.12 18.95 2 0 15.76 -999 ? O3 BTN F 900 >SER^F 18 26.52 53.05 14.84 25.60 55.27 14.54 26.06 54.16 14.69 2 0 13.78 -999 ? O3 BTN F 900 >TRP^F 19 26.03 49.53 15.58 29.24 47.63 16.88 27.64 48.58 16.23 3 0 13.05 -999 ? O3 BTN F 900 >GLN^F 20 27.66 51.06 6.53 27.93 53.00 5.73 27.79 52.03 6.13 2 0 10.00 -999 ? O3 BTN F 900 >ASN^F 21 25.66 45.64 6.96 24.02 46.01 5.61 24.84 45.82 6.28 2 0 -3.37 -999 ? O3 BTN F 900s >GLN.F 22 27.65 42.80 2.97 26.33 42.61 4.67 26.99 42.70 3.82 2 0 6.09 -999 ? N1 BTN F 900 >SER.F 23 25.24 46.49 1.70 23.71 44.67 1.13 24.47 45.58 1.41 2 0 5.28 -999 ? C3 BTN F 900 >GLY.F 24 25.60 50.15 2.73 25.21 49.60 3.20 25.41 49.88 2.97 1 0 6.93 -999 ? O3 BTN F 900 >SER.F 25 22.73 49.69 5.21 20.88 48.31 4.44 21.80 49.00 4.82 2 0 -2.41 -999 ? O3 BTN F 900s >THR^F 26 23.18 51.40 8.53 23.65 53.52 8.83 23.42 52.46 8.68 2 0 8.64 -999 ? O3 BTN F 900 >MET^F 27 21.81 51.04 12.02 21.83 47.12 13.70 21.82 49.08 12.86 2 0 8.37 -999 ? O3 BTN F 900 >ILE^F 28 21.57 54.43 15.41 21.66 55.76 15.38 21.62 55.10 15.39 3 0 13.39 -999 ? O3 BTN F 900 >ILE^F 29 22.03 49.55 18.44 22.72 48.44 17.78 22.38 48.99 18.11 3 0 13.07 -999 ? O3 BTN F 900 >GLN^F 30 20.47 54.04 21.94 18.62 55.11 21.93 19.55 54.57 21.94 2 0 14.57 -999 ? C5 BTN C 600 >VAL^F 31 21.62 48.89 24.94 22.75 47.16 24.28 22.19 48.02 24.61 3 0 16.60 -999 ? C5 BTN C 600 >ASP^F 32 18.83 49.30 29.10 17.58 47.54 29.31 18.20 48.42 29.20 2 0 11.31 -999 ? C5 BTN C 600 >SER.F 33 22.89 47.12 30.46 25.04 46.85 31.59 23.96 46.98 31.02 2 0 16.86 -999 ? N1 BTN C 600 >PHE.F 34 19.35 46.29 32.91 19.98 48.63 34.32 19.66 47.46 33.61 3 0 11.91 -999 ? N1 BTN C 600 >GLY.F 35 20.27 43.60 27.66 19.78 44.18 27.80 20.02 43.89 27.73 1 0 15.35 -999 ? C10 BTN G 350 >ASN^F 36 16.33 46.46 26.64 14.58 46.65 25.34 15.45 46.55 25.99 2 0 12.47 -999 ? C5 BTN C 600 >VAL^F 37 18.37 46.83 22.50 19.80 45.80 21.18 19.09 46.31 21.84 3 0 16.45 -999 ? O3 BTN F 900 >SER^F 38 16.53 49.68 20.83 16.58 51.35 22.50 16.56 50.51 21.67 2 0 13.39 -999 ? C5 BTN C 600 >GLY^F 39 17.48 51.65 17.77 16.72 51.39 17.63 17.10 51.52 17.70 1 0 13.84 -999 ? O3 BTN F 900 >GLN^F 40 15.72 54.87 15.09 13.60 54.72 14.66 14.66 54.80 14.87 2 0 14.41 -999 ? O3 BTN F 900 >TYR^F 41 18.02 48.47 10.13 19.88 46.89 8.72 18.95 47.68 9.42 3 0 -4.56 -999 ? O3 BTN F 900s >VAL^F 42 18.26 52.42 7.65 18.43 54.58 7.20 18.35 53.50 7.43 3 0 7.95 -999 ? O3 BTN F 900 >ASN.F 43 17.19 48.97 4.63 17.38 47.74 2.94 17.29 48.36 3.78 2 0 -3.34 -999 ? C7 BTN F 900s >ARG.F 44 22.30 53.90 3.05 22.82 55.10 5.85 22.56 54.50 4.45 2 0 9.21 -999 ? O3 BTN F 900 >ALA.F 45 20.73 47.41 0.08 20.55 46.14 0.92 20.64 46.77 0.50 2 0 -3.60 -999 ? N2 BTN F 900s >GLN.F 46 20.79 47.45 -6.17 21.56 46.30 -7.83 21.18 46.88 -7.00 2 0 12.16 -999 ? N2 BTN F 900 >GLY.F 47 16.90 45.72 -5.08 16.94 46.01 -4.32 16.92 45.86 -4.70 1 0 7.82 -999 ? C10 BTN F 900 >THR.F 48 15.13 45.89 -1.73 16.71 45.46 -0.27 15.92 45.67 -1.00 2 0 -3.89 -999 ? C9 BTN F 900s >GLY.F 49 12.08 48.02 -0.91 12.70 47.78 -0.43 12.39 47.90 -0.67 1 0 -4.34 -999 ? C10 BTN F 900s >CSS.F 50 11.79 50.24 2.20 9.65 48.97 3.28 10.72 49.61 2.74 2 0 4.17 -999 ? O12 BTN F 900 >GLN.F 51 15.56 50.87 -0.73 17.48 49.99 -1.04 16.52 50.43 -0.89 2 0 6.76 -999 ? C9 BTN F 900 >ASN.F 52 16.48 56.40 1.75 18.00 55.87 0.36 17.24 56.14 1.06 2 0 11.30 -999 ? O3 BTN F 900 >SER.F 53 13.90 55.72 5.84 11.77 54.73 5.27 12.83 55.23 5.56 2 0 9.56 -999 ? O12 BTN F 900 >PRO.F 54 14.01 57.06 10.11 14.22 55.13 8.93 14.11 56.09 9.52 3 0 12.55 -999 ? O12 BTN F 900 >TYR^F 55 11.86 50.69 8.67 10.75 51.30 6.15 11.31 50.99 7.41 3 0 6.87 -999 ? O12 BTN F 900 >PRO^F 56 10.01 51.83 14.59 12.10 51.13 13.98 11.05 51.48 14.29 3 0 12.41 -999 ? O12 BTN F 900 >LEU^F 57 16.01 48.33 15.40 17.93 47.91 16.26 16.97 48.12 15.83 3 0 11.17 -999 ? O3 BTN F 900 >THR^F 58 14.40 45.98 18.96 12.69 45.29 20.13 13.55 45.64 19.55 2 0 15.41 -999 ? S1 BTN F 900 >GLY^F 59 16.61 43.20 20.31 16.45 43.68 20.94 16.53 43.44 20.63 1 0 14.56 -999 ? S1 BTN G 350 >ARG^F 60 15.83 41.21 24.78 16.29 41.96 27.73 16.06 41.58 26.25 2 0 14.23 -999 ? C10 BTN G 350 >VAL^F 61 22.24 41.28 23.78 23.22 43.30 23.66 22.73 42.29 23.72 3 0 14.04 -999 ? C10 BTN G 350 >ASN^F 62 23.20 37.41 25.86 23.69 36.01 27.40 23.45 36.71 26.63 2 0 8.61 -999 ? O12 BTN G 350 >GLY.F 63 27.76 39.21 26.12 27.18 39.53 25.56 27.47 39.37 25.84 1 0 12.47 -999 ? O12 BTN G 350 >THR.F 64 28.98 39.46 22.53 30.99 38.55 22.65 29.99 39.00 22.59 2 0 13.61 -999 ? O12 BTN G 350 >PHE^F 65 26.65 35.39 21.43 28.92 33.78 21.27 27.79 34.59 21.35 3 0 8.86 -999 ? O12 BTN G 350 >ILE^F 66 23.51 41.15 19.08 23.54 42.28 18.32 23.52 41.71 18.70 3 0 13.82 -999 ? N1 BTN F 900 >ALA^F 67 19.54 39.22 18.20 18.75 38.03 18.57 19.15 38.63 18.38 2 0 9.92 -999 ? S1 BTN G 350 >PHE^F 68 19.13 43.55 15.64 20.96 43.79 13.50 20.05 43.67 14.57 3 0 9.17 -999 ? C6 BTN F 900 >SER^F 69 14.15 42.59 14.89 13.43 40.84 16.45 13.79 41.71 15.67 2 0 11.66 -999 ? S1 BTN F 900 >VAL^F 70 12.70 45.08 12.38 13.98 46.42 11.21 13.34 45.75 11.79 3 0 7.81 -999 ? S1 BTN F 900 >GLY^F 71 9.10 45.20 11.07 9.73 45.78 10.97 9.42 45.49 11.02 1 0 7.98 -999 ? O12 BTN F 900 >TRP^F 72 11.38 44.23 6.76 14.44 46.68 7.09 12.91 45.46 6.93 3 0 -3.62 -999 ? O12 BTN F 900s >ASN^F 73 5.40 48.78 8.63 3.59 49.76 8.01 4.49 49.27 8.32 2 0 10.26 -999 ? O12 BTN F 900 >ASN.F 74 8.69 53.79 9.44 9.44 53.98 7.44 9.07 53.89 8.44 2 0 9.76 -999 ? O12 BTN F 900 >SER.F 75 4.51 55.19 8.46 4.90 57.20 9.66 4.70 56.20 9.06 2 0 14.99 -999 ? O12 BTN F 900 >THR.F 76 6.67 56.23 5.42 8.47 57.44 5.26 7.57 56.84 5.34 2 0 12.64 -999 ? O12 BTN F 900 >GLU.F 77 8.56 52.65 1.40 10.49 53.13 0.71 9.53 52.89 1.05 2 0 8.37 -999 ? O12 BTN F 900 >ASN^F 78 4.06 49.37 4.69 3.52 47.34 5.10 3.79 48.36 4.89 2 0 8.56 -999 ? O12 BTN F 900 >CSS^F 79 7.10 46.46 2.56 9.51 47.62 1.72 8.31 47.04 2.14 2 0 -3.63 -999 ? O12 BTN F 900s >ASN^F 80 3.70 43.26 3.18 1.71 43.51 3.91 2.70 43.39 3.54 2 0 9.58 -999 ? O11 BTN F 900 >SER^F 81 7.60 41.94 5.88 9.08 43.29 4.53 8.34 42.62 5.20 2 0 -3.26 -999 ? O11 BTN F 900s >ALA^F 82 9.90 41.58 8.90 9.20 41.03 10.13 9.55 41.31 9.52 2 0 8.27 -999 ? O12 BTN F 900 >THR^F 83 13.59 40.79 9.32 15.15 41.27 7.90 14.37 41.03 8.61 2 0 -3.40 -999 ? S1 BTN F 900s >GLY^F 84 15.40 39.22 12.27 15.73 39.14 11.51 15.56 39.18 11.89 1 0 7.82 -999 ? S1 BTN F 900 >TRP^F 85 20.79 41.35 10.16 17.58 43.59 9.73 19.18 42.47 9.95 3 0 -4.35 -999 ? C6 BTN F 900s >THR^F 86 21.23 37.06 15.02 20.29 35.37 15.99 20.76 36.22 15.51 2 0 9.08 -999 ? S1 BTN G 350 >GLY^F 87 24.96 37.23 15.43 24.68 37.39 16.17 24.82 37.31 15.80 1 0 12.60 -999 ? C6 BTN F 900 >TYR^F 88 29.36 36.24 16.53 30.50 35.08 14.26 29.93 35.66 15.39 3 0 13.75 -999 ? O12 BTN G 350 >ALA^F 89 30.64 40.87 17.75 30.45 42.08 18.68 30.54 41.48 18.21 2 0 16.75 -999 ? N1 BTN F 900 >GLN^F 90 34.27 39.23 14.49 34.74 37.54 13.24 34.51 38.39 13.86 2 0 17.50 -999 ? N1 BTN F 900 >VAL^F 91 37.27 42.28 15.63 38.28 43.69 17.00 37.78 42.99 16.31 3 0 20.51 -999 ? O3 BTN F 900 >ASN.F 92 37.37 41.05 11.24 38.30 39.88 9.68 37.83 40.46 10.46 2 0 18.82 -999 ? N1 BTN F 900 >ASN.F 94 41.32 46.68 11.79 42.41 48.54 11.87 41.86 47.61 11.83 2 0 22.80 -999 ? O3 BTN F 900 >ASN.F 95 37.48 48.94 13.91 35.87 48.89 12.47 36.68 48.91 13.19 2 0 16.97 -999 ? O3 BTN F 900 >THR^F 96 34.81 46.07 16.13 34.21 46.16 18.22 34.51 46.11 17.17 2 0 18.60 -999 ? O3 BTN F 900 >GLU^F 97 32.53 42.77 11.69 33.93 41.45 10.77 33.23 42.11 11.23 2 0 14.75 -999 ? N1 BTN F 900 >ILE^F 98 27.67 43.09 14.47 26.62 43.37 15.59 27.14 43.23 15.03 3 0 11.78 -999 ? N1 BTN F 900 >VAL^F 99 28.73 39.12 12.11 30.49 37.97 11.40 29.61 38.54 11.76 3 0 12.36 -999 ? N1 BTN F 900 >THR^F 100 25.14 38.00 11.64 24.30 40.04 11.46 24.72 39.02 11.55 2 0 8.12 -999 ? N1 BTN F 900 >SER^F 101 22.70 35.86 9.73 24.08 33.89 9.95 23.39 34.87 9.84 2 0 10.72 -999 ? C6 BTN F 900 >TRP^F 102 21.13 39.22 6.85 18.74 38.74 3.74 19.94 38.98 5.29 3 0 -3.36 -999 ? C6 BTN F 900s >ASN^F 103 15.17 34.75 8.63 16.47 33.04 8.84 15.82 33.89 8.74 2 0 9.82 -999 ? C6 BTN F 900 >LEU^F 104 13.94 38.86 4.64 13.07 40.61 3.70 13.50 39.74 4.17 3 0 4.85 -999 ? C8 BTN F 900 >ALA^F 105 9.82 36.85 6.03 9.16 36.47 7.33 9.49 36.66 6.68 2 0 9.33 -999 ? O11 BTN F 900 >TYR^F 106 9.61 38.21 1.21 10.96 36.58 -0.62 10.28 37.39 0.30 3 0 6.79 -999 ? O11 BTN F 900 >GLU^F 107 2.73 39.33 -0.03 1.30 38.27 1.09 2.01 38.80 0.53 2 0 11.34 -999 ? O11 BTN F 900 >GLY^F 108 6.23 36.59 -2.17 5.42 36.80 -1.94 5.83 36.70 -2.06 1 0 9.74 -999 ? O11 BTN F 900 >GLY.F 109 4.11 36.45 -5.34 4.10 35.97 -4.66 4.11 36.21 -5.00 1 0 12.59 -999 ? O11 BTN F 900 >SER.F 110 2.39 33.43 -3.82 1.55 31.76 -5.39 1.97 32.60 -4.61 2 0 17.14 -999 ? O11 BTN F 900 >GLY^F 111 1.84 34.49 -0.19 2.56 34.52 -0.55 2.20 34.51 -0.37 1 0 13.39 -999 ? O11 BTN F 900 >PRO^F 112 2.24 33.83 3.89 3.76 34.13 2.29 3.00 33.98 3.09 3 0 12.85 -999 ? O11 BTN F 900 >ALA.F 113 7.98 33.33 1.87 8.62 33.94 0.62 8.30 33.64 1.24 2 0 10.36 -999 ? O11 BTN F 900 >ILE.F 114 11.12 32.64 5.26 10.91 32.41 6.69 11.01 32.53 5.97 3 0 11.96 -999 ? S1 BTN F 900 >GLU^F 115 16.20 35.63 0.90 16.35 37.02 -0.68 16.28 36.32 0.11 2 0 7.90 -999 ? C2 BTN F 900 >GLN^F 116 17.48 31.53 5.10 18.30 29.59 5.50 17.89 30.56 5.30 2 0 12.48 -999 ? C6 BTN F 900 >GLY^F 117 21.20 35.90 4.13 21.07 35.66 4.92 21.14 35.78 4.53 1 0 6.84 -999 ? C6 BTN F 900 >GLN.F 118 26.66 36.42 5.78 27.64 38.03 6.80 27.15 37.23 6.29 2 0 9.34 -999 ? N1 BTN F 900 >ASP.F 119 24.01 41.72 7.48 22.50 42.11 6.09 23.25 41.92 6.78 2 0 -2.76 -999 ? N1 BTN F 900s >THR^F 120 28.33 41.96 8.42 30.03 40.69 7.97 29.18 41.33 8.20 2 0 10.44 -999 ? N1 BTN F 900 >PHE^F 121 25.68 45.35 10.78 23.06 45.00 9.84 24.37 45.17 10.31 3 0 6.18 -999 ? O3 BTN F 900 >GLN^F 122 32.96 46.83 9.00 34.86 46.59 9.95 33.91 46.71 9.47 2 0 14.90 -999 ? O3 BTN F 900 >TYR^F 123 32.18 50.84 16.00 32.40 53.13 17.57 32.29 51.99 16.79 3 0 17.25 -999 ? O3 BTN F 900 >VAL^F 124 31.13 53.37 12.44 29.87 54.14 10.84 30.50 53.76 11.64 3 0 13.88 -999 ? O3 BTN F 900 >PRO.F 125 34.90 54.79 13.92 32.74 55.33 14.24 33.82 55.06 14.08 3 0 18.07 -999 ? O3 BTN F 900 >THR.F 126 31.06 59.12 14.79 30.58 60.08 16.70 30.82 59.60 15.75 2 0 13.95 -999 ? C10 BTN B 500 >THR^F 127 32.06 61.73 12.19 32.01 61.90 10.01 32.03 61.81 11.10 2 0 12.30 -999 ? C11 BTN B 500 >GLU^F 128 33.43 66.66 15.29 31.70 66.11 16.36 32.57 66.38 15.83 2 0 10.42 -999 ? O12 BTN B 500 >ASN.F 129 30.07 66.76 9.68 30.16 67.31 7.61 30.12 67.04 8.64 2 0 7.56 -999 ? O11 BTN B 500 >LYS.F 130 30.78 71.11 9.85 34.47 72.20 7.58 32.62 71.66 8.71 2 0 10.76 -999 ? O11 BTN B 500 >SER.F 131 27.28 72.60 10.02 27.62 73.43 12.30 27.45 73.02 11.16 2 0 -3.91 -999 ? O12 BTN B 500s >LEU.F 132 25.57 74.84 6.69 24.17 76.11 7.82 24.87 75.48 7.26 3 0 4.84 -999 ? O11 BTN B 500 >LYS.F 134 23.97 76.79 3.20 19.82 74.43 2.61 21.90 75.61 2.90 2 0 5.72 -999 ? C4 BTN B 500 >ALA.G 215 -3.54 41.91 22.37 -5.05 41.75 22.58 -4.29 41.83 22.48 2 0 18.34 -999 ? O12 BTN C 600 >SER.G 216 -2.19 39.24 24.79 -1.68 38.84 27.13 -1.94 39.04 25.96 2 0 18.05 -999 ? O12 BTN C 600 >SER^G 217 -1.41 35.54 24.07 -1.65 36.69 21.91 -1.53 36.12 22.99 2 0 17.04 -999 ? O3 BTN G 350 >SER^G 218 0.34 32.21 24.67 0.12 32.26 27.06 0.23 32.23 25.86 2 0 14.42 -999 ? O3 BTN G 350 >TRP^G 219 1.55 33.16 21.26 -0.35 32.73 17.85 0.60 32.94 19.56 3 0 13.18 -999 ? O3 BTN G 350 >GLN^G 220 4.06 24.54 23.76 3.12 23.07 24.98 3.59 23.80 24.37 2 0 10.18 -999 ? O3 BTN G 350 >ASN^G 221 7.42 25.63 19.12 9.00 25.31 20.51 8.21 25.47 19.81 2 0 -3.23 -999 ? O3 BTN G 350s >GLN.G 222 8.25 20.88 17.07 8.97 22.87 16.78 8.61 21.88 16.92 2 0 6.43 -999 ? O3 BTN G 350 >SER.G 223 9.43 21.10 21.18 11.17 21.52 19.57 10.30 21.31 20.37 2 0 5.25 -999 ? O3 BTN G 350 >GLY.G 224 7.35 22.12 24.18 7.76 22.66 23.76 7.55 22.39 23.97 1 0 6.98 -999 ? O3 BTN G 350 >SER.G 225 9.05 25.56 24.32 11.41 25.35 23.77 10.23 25.46 24.05 2 0 -2.83 -999 ? O3 BTN G 350s >THR^G 226 6.56 28.27 25.23 5.09 28.04 26.80 5.82 28.15 26.01 2 0 8.99 -999 ? O3 BTN G 350 >MET^G 227 6.06 32.04 24.83 6.88 33.45 21.00 6.47 32.74 22.92 2 0 8.65 -999 ? O3 BTN G 350 >ILE^G 228 3.59 34.83 27.70 3.01 34.57 28.90 3.30 34.70 28.30 3 0 13.89 -999 ? O3 BTN G 350 >ILE^G 229 3.85 37.65 22.43 4.08 36.82 21.26 3.97 37.24 21.85 3 0 13.44 -999 ? O3 BTN G 350 >GLN^G 230 1.23 41.75 26.62 2.41 40.79 28.14 1.82 41.27 27.38 2 0 15.53 -999 ? O12 BTN C 600 >VAL^G 231 1.47 43.22 20.87 1.44 42.33 18.86 1.45 42.78 19.87 3 0 17.85 -999 ? O12 BTN C 600 >ASP.G 232 1.73 47.93 21.98 3.51 48.24 20.87 2.62 48.09 21.42 2 0 13.58 -999 ? O12 BTN C 600 >SER.G 233 -0.58 49.61 18.84 -1.27 51.08 20.65 -0.93 50.34 19.75 2 0 12.75 -999 ? O12 BTN C 600 >PHE.G 234 3.45 52.56 19.41 2.50 55.01 20.41 2.97 53.78 19.91 3 0 11.64 -999 ? O11 BTN C 600 >GLY.G 235 3.94 47.03 16.62 4.20 47.29 17.33 4.07 47.16 16.97 1 0 15.31 -999 ? O12 BTN F 900 >ASN^G 236 6.61 46.91 20.69 7.25 48.81 20.05 6.93 47.86 20.37 2 0 14.62 -999 ? O11 BTN C 600 >VAL^G 237 6.23 42.49 20.73 6.04 40.66 19.55 6.13 41.57 20.14 3 0 16.24 -999 ? O3 BTN G 350 >SER^G 238 6.88 42.08 24.44 7.05 43.90 26.05 6.97 42.99 25.25 2 0 13.02 -999 ? C6 BTN C 600 >GLY^G 239 6.93 39.03 26.71 7.65 39.18 26.61 7.29 39.10 26.66 1 0 14.62 -999 ? O3 BTN G 350 >GLN^G 240 8.55 36.42 30.44 7.93 35.84 32.42 8.24 36.13 31.43 2 0 11.03 -999 ? C6 BTN D 700 >TYR^G 241 10.90 31.75 24.33 11.06 29.88 22.24 10.98 30.82 23.28 3 0 -4.93 -999 ? O3 BTN G 350s >VAL^G 242 10.55 29.32 28.44 9.41 28.98 30.31 9.98 29.15 29.38 3 0 8.82 -999 ? O3 BTN G 350 >ASN.G 243 14.27 27.36 26.13 15.41 25.77 25.23 14.84 26.57 25.68 2 0 -3.33 -999 ? C7 BTN G 350s >ARG.G 244 8.85 23.16 28.26 7.03 25.47 29.15 7.94 24.31 28.71 2 0 9.39 -999 ? O3 BTN G 350 >ALA.G 245 13.96 22.03 23.29 14.48 22.85 22.11 14.22 22.44 22.70 2 0 -3.39 -999 ? N2 BTN G 350s >GLN.G 246 15.87 16.25 23.87 14.87 14.50 23.17 15.37 15.38 23.52 2 0 11.81 -999 ? N2 BTN G 350 >GLY.G 247 19.62 18.95 24.07 19.17 19.57 24.20 19.39 19.26 24.13 1 0 -7.63 -999 ? O11 BTN G 350s >THR.G 248 19.82 22.75 24.58 18.05 23.53 23.58 18.94 23.14 24.08 2 0 -3.97 -999 ? C7 BTN G 350s >GLY.G 249 21.02 24.97 27.48 20.30 25.04 27.01 20.66 25.00 27.25 1 0 -3.55 -999 ? O11 BTN G 350s >CSS.G 250 18.75 27.39 29.39 20.50 29.49 29.18 19.63 28.44 29.29 2 0 4.71 -999 ? C10 BTN G 350 >GLN.G 251 15.79 23.18 28.12 16.60 21.23 27.78 16.20 22.20 27.95 2 0 7.64 -999 ? O11 BTN G 350 >ASN.G 252 12.56 24.26 32.73 12.44 22.51 31.49 12.50 23.39 32.11 2 0 10.76 -999 ? N2 BTN G 350 >SER.G 253 13.13 29.20 33.12 15.41 29.98 32.97 14.27 29.59 33.04 2 0 9.44 -999 ? C9 BTN G 350 >PRO^G 254 11.40 33.23 33.97 12.01 31.98 32.19 11.70 32.61 33.08 3 0 12.00 -999 ? C6 BTN D 700 >TYR^G 255 15.64 33.17 29.10 17.40 31.45 30.40 16.52 32.31 29.75 3 0 7.22 -999 ? C10 BTN G 350 >PRO^G 256 14.13 38.93 29.90 12.88 37.63 28.52 13.51 38.28 29.21 3 0 12.53 -999 ? C10 BTN G 350 >LEU^G 257 10.10 37.41 24.44 8.74 36.99 22.92 9.42 37.20 23.68 3 0 11.32 -999 ? O3 BTN G 350 >THR^G 258 11.28 41.37 22.35 12.68 43.02 22.37 11.98 42.19 22.36 2 0 14.90 -999 ? S1 BTN G 350 >GLY^G 259 10.14 41.85 18.77 9.81 42.43 19.16 9.98 42.14 18.97 1 0 14.61 -999 ? S1 BTN G 350 >ARG^G 260 9.54 46.69 16.47 7.44 48.93 16.03 8.49 47.81 16.25 2 0 13.68 -999 ? O12 BTN F 900 >VAL^G 261 5.22 42.84 14.09 3.57 42.78 15.56 4.39 42.81 14.83 3 0 13.69 -999 ? O12 BTN F 900 >ASN^G 262 5.50 44.19 9.52 4.84 45.53 8.00 5.17 44.86 8.76 2 0 8.19 -999 ? O12 BTN F 900 >GLY.G 263 0.91 42.82 9.48 1.48 42.43 10.02 1.20 42.63 9.75 1 0 12.57 -999 ? O12 BTN F 900 >THR.G 264 1.07 39.04 9.44 0.50 37.41 8.06 0.79 38.23 8.75 2 0 13.81 -999 ? O11 BTN F 900 >PHE^G 265 5.26 39.31 7.19 4.33 38.41 4.72 4.79 38.86 5.96 3 0 8.97 -999 ? O11 BTN F 900 >ILE^G 266 6.12 38.06 13.99 6.00 37.27 15.15 6.06 37.66 14.57 3 0 14.18 -999 ? N1 BTN G 350 >ALA^G 267 10.40 38.94 14.21 11.34 39.75 13.36 10.87 39.35 13.78 2 0 10.15 -999 ? S1 BTN F 900 >PHE^G 268 9.86 36.39 18.60 9.42 33.62 18.32 9.64 35.00 18.46 3 0 9.19 -999 ? N1 BTN G 350 >SER^G 269 14.50 38.05 19.80 15.05 39.87 18.42 14.77 38.96 19.11 2 0 11.47 -999 ? S1 BTN G 350 >VAL^G 270 15.67 36.39 23.04 14.41 34.79 23.91 15.04 35.59 23.47 3 0 7.63 -999 ? S1 BTN G 350 >GLY^G 271 19.10 36.68 24.74 18.41 36.29 25.15 18.76 36.48 24.94 1 0 8.16 -999 ? C10 BTN G 350 >TRP^G 272 19.71 32.00 23.76 16.03 30.86 24.60 17.87 31.43 24.18 3 0 -3.55 -999 ? C10 BTN G 350s >ASN^G 273 21.60 36.30 30.18 22.51 36.71 32.09 22.06 36.51 31.14 2 0 11.37 -999 ? C10 BTN G 350 >ASN.G 274 16.90 34.83 32.92 16.83 32.71 33.29 16.86 33.77 33.11 2 0 10.12 -999 ? C10 BTN G 350 >SER.G 275 20.06 35.08 36.69 17.96 35.57 37.93 19.01 35.33 37.31 2 0 12.03 -999 ? O12 BTN D 700 >THR.G 276 18.94 31.44 36.78 17.10 30.40 36.79 18.02 30.92 36.78 2 0 12.65 -999 ? C10 BTN G 350 >GLU.G 277 21.56 28.16 32.58 20.68 26.34 31.91 21.12 27.25 32.25 2 0 7.65 -999 ? O11 BTN G 350 >ASN^G 278 24.47 33.13 31.81 25.25 34.34 30.22 24.86 33.74 31.02 2 0 9.21 -999 ? O12 BTN G 350 >CSS^G 279 23.95 30.27 28.02 21.97 28.47 28.13 22.96 29.37 28.08 2 0 -4.02 -999 ? C11 BTN G 350s >ASN^G 280 27.47 32.57 26.81 28.94 33.84 25.94 28.20 33.20 26.38 2 0 8.95 -999 ? O12 BTN G 350 >SER^G 281 23.92 33.01 23.36 22.34 31.33 23.99 23.13 32.17 23.67 2 0 -3.10 -999 ? O12 BTN G 350s >ALA^G 282 20.91 34.62 21.61 21.07 36.17 21.43 20.99 35.40 21.52 2 0 8.33 -999 ? C10 BTN G 350 >THR^G 283 18.11 33.63 19.24 17.40 31.58 19.24 17.75 32.60 19.24 2 0 -3.42 -999 ? S1 BTN G 350s >GLY^G 284 16.10 35.52 16.62 16.12 34.71 16.54 16.11 35.11 16.58 1 0 7.90 -999 ? S1 BTN G 350 >TRP^G 285 11.68 31.24 16.63 13.58 32.10 19.96 12.63 31.67 18.30 3 0 5.05 -999 ? C6 BTN G 350 >THR^G 286 11.69 35.62 11.77 12.90 36.94 10.55 12.29 36.28 11.16 2 0 8.78 -999 ? S1 BTN F 900 >GLY^G 287 8.31 34.55 10.40 8.19 35.27 10.58 8.25 34.91 10.49 1 0 12.85 -999 ? O11 BTN F 900 >TYR^G 288 4.63 33.62 7.54 4.83 31.10 6.36 4.73 32.36 6.95 3 0 14.07 -999 ? O11 BTN F 900 >ALA^G 289 1.18 33.87 11.00 0.31 34.71 11.91 0.74 34.29 11.45 2 0 17.04 -999 ? O3 BTN G 350 >GLN^G 290 0.79 29.79 8.36 1.18 28.17 7.02 0.99 28.98 7.69 2 0 17.81 -999 ? N1 BTN G 350 >VAL.G 291 -4.34 29.97 9.72 -6.47 30.59 9.39 -5.40 30.28 9.55 3 0 21.25 -999 ? O3 BTN G 350 >ASN.G 292 -2.54 25.51 9.70 -2.39 23.49 9.00 -2.46 24.50 9.35 2 0 19.07 -999 ? O3 BTN G 350 >GLY.G 293 -7.03 24.43 8.36 -6.84 25.19 8.71 -6.93 24.81 8.54 1 0 23.01 -999 ? O3 BTN G 350 >ASN.G 294 -10.20 24.96 11.83 -11.90 26.14 12.40 -11.05 25.55 12.11 2 0 25.43 -999 ? O3 BTN G 350 >ASN.G 295 -4.93 25.19 13.87 -3.93 25.44 15.73 -4.43 25.32 14.80 2 0 16.82 -999 ? O3 BTN G 350 >THR.G 296 -3.71 29.38 13.42 -4.80 30.92 14.56 -4.25 30.15 13.99 2 0 18.57 -999 ? O3 BTN G 350 >GLU^G 297 0.71 27.37 11.41 1.08 25.36 10.81 0.89 26.36 11.11 2 0 15.09 -999 ? O3 BTN G 350 >ILE^G 298 3.71 31.99 14.57 3.79 33.26 15.28 3.75 32.62 14.93 3 0 12.04 -999 ? O3 BTN G 350 >VAL^G 299 5.68 29.64 10.85 5.41 28.63 8.93 5.55 29.14 9.89 3 0 12.90 -999 ? N1 BTN G 350 >THR^G 300 9.12 30.88 11.89 8.81 30.98 14.02 8.97 30.93 12.95 2 0 8.51 -999 ? N1 BTN G 350 >SER^G 301 12.72 30.31 10.92 12.93 30.08 8.49 12.82 30.19 9.70 2 0 11.10 -999 ? C6 BTN G 350 >TRP^G 302 13.72 28.31 15.19 17.15 26.49 15.88 15.43 27.40 15.53 3 0 -3.48 -999 ? C6 BTN G 350s >ASN^G 303 19.86 32.62 13.30 19.74 32.35 11.20 19.80 32.48 12.25 2 0 9.84 -999 ? C6 BTN G 350 >LEU^G 304 20.74 29.35 18.00 21.02 28.78 20.06 20.88 29.06 19.03 3 0 4.80 -999 ? C8 BTN G 350 >ALA^G 305 24.18 32.51 17.86 24.43 33.99 17.59 24.30 33.25 17.73 2 0 8.92 -999 ? O12 BTN G 350 >TYR^G 306 25.94 28.48 19.68 26.55 26.60 17.71 26.25 27.54 18.70 3 0 6.71 -999 ? O12 BTN G 350 >GLU^G 307 31.65 30.36 23.52 33.24 31.55 22.80 32.45 30.96 23.16 2 0 11.57 -999 ? O12 BTN G 350 >GLY^G 308 30.61 27.15 19.84 31.19 27.60 20.24 30.90 27.37 20.04 1 0 9.43 -999 ? O12 BTN G 350 >GLY.G 309 33.53 24.76 20.35 33.53 25.34 19.83 33.53 25.05 20.09 1 0 12.37 -999 ? O12 BTN G 350 >SER.G 310 35.80 26.48 17.81 35.16 25.63 15.64 35.48 26.06 16.73 2 0 15.63 -999 ? O12 BTN G 350 >GLY^G 311 34.59 30.10 18.13 34.04 29.49 18.25 34.32 29.80 18.19 1 0 13.82 -999 ? O12 BTN G 350 >PRO^G 312 32.54 33.79 17.71 31.88 31.66 18.12 32.21 32.72 17.91 3 0 12.54 -999 ? O12 BTN G 350 >ALA^G 313 28.75 30.17 15.58 29.00 28.64 15.59 28.88 29.40 15.58 2 0 10.83 -999 ? O12 BTN G 350 >ILE^G 314 24.89 31.68 13.39 24.54 33.04 13.12 24.72 32.36 13.26 3 0 11.54 -999 ? C6 BTN G 350 >GLU^G 315 21.70 26.06 15.56 21.56 24.27 16.67 21.63 25.16 16.11 2 0 7.15 -999 ? C6 BTN G 350 >GLN^G 316 21.06 28.50 10.06 21.23 28.38 7.91 21.15 28.44 8.98 2 0 12.34 -999 ? C6 BTN G 350 >GLY^G 317 16.25 25.91 12.31 16.11 26.69 12.07 16.18 26.30 12.19 1 0 6.93 -999 ? C6 BTN G 350 >GLN^G 318 12.83 25.34 9.60 11.99 23.97 8.14 12.41 24.66 8.87 2 0 11.92 -999 ? C5 BTN G 350 >ASP^G 319 9.92 27.19 15.96 11.56 26.50 17.15 10.74 26.85 16.56 2 0 -3.29 -999 ? N1 BTN G 350s >THR^G 320 5.94 26.41 14.52 4.94 25.57 12.75 5.44 25.99 13.63 2 0 11.02 -999 ? O3 BTN G 350 >PHE^G 321 5.55 29.24 18.16 8.28 29.77 18.42 6.91 29.51 18.29 3 0 6.58 -999 ? O3 BTN G 350 >GLN^G 322 0.37 24.34 17.35 -0.23 24.45 15.29 0.07 24.39 16.32 2 0 13.70 -999 ? O3 BTN G 350 >TYR^G 323 -4.24 30.21 20.99 -5.54 32.01 22.69 -4.89 31.11 21.84 3 0 17.48 -999 ? O3 BTN G 350 >VAL.G 324 -2.08 27.47 24.03 -0.46 27.46 25.54 -1.27 27.47 24.78 3 0 13.73 -999 ? O3 BTN G 350