#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bku n SER 2 N 0.00 0.00 -4.64 0.00 2.88 -1.26 -4.44 113.62 106.15 1bku n SER 2 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1bku n SER 2 Cb 0.00 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 1bku n SER 2 CO 0.00 0.00 0.00 0.20 -1.23 0.00 0.00 175.04 174.01 1bku s ASN 3 N -4.00 6.61 -1.54 -3.46 0.01 -1.26 -4.91 114.94 106.40 1bku s ASN 3 Ca 0.00 1.70 -0.09 0.00 -0.71 0.00 0.00 52.86 53.75 1bku s ASN 3 Cb 0.00 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.10 1bku s ASN 3 CO 0.00 -1.05 2.73 0.18 -1.51 0.00 0.00 177.10 177.45 1bku n LEU 4 N 7.64 8.36 0.20 0.60 4.77 -1.26 -2.16 117.00 135.16 1bku n LEU 4 Ca 0.17 -4.47 0.00 0.00 -0.03 0.00 0.00 56.01 51.68 1bku n LEU 4 Cb 0.45 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 1bku n LEU 4 CO 0.62 1.95 0.00 -1.54 -1.33 0.00 0.00 177.39 177.09 1bku n SER 5 N 3.46 -2.68 -0.12 -1.43 3.41 -1.26 -4.76 113.62 110.25 1bku n SER 5 Ca 0.71 0.75 -0.09 0.00 -0.26 0.00 0.00 58.87 59.98 1bku n SER 5 Cb 0.25 2.58 -0.01 0.00 -0.26 0.00 0.00 64.21 66.77 1bku n SER 5 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1bku h THR 6 N 0.00 1.18 0.40 6.66 2.02 -1.92 -2.15 112.91 119.10 1bku h THR 6 Ca 0.00 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 66.62 1bku h THR 6 Cb 0.00 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1bku h THR 6 CO 0.00 0.20 -0.20 0.00 0.37 0.00 0.00 175.52 175.88 1bku h VAL 8 N -0.56 1.26 -0.37 0.00 -1.51 -1.79 -0.38 116.25 112.91 1bku h VAL 8 Ca -0.05 -1.03 -0.00 0.00 -1.23 0.00 0.00 66.70 64.39 1bku h VAL 8 Cb 0.43 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.44 1bku h VAL 8 CO 0.08 0.37 0.22 -0.07 -1.23 0.00 0.00 177.57 176.93 1bku h LEU 9 N 0.80 0.45 -0.50 4.19 3.38 -1.40 -1.63 115.31 120.61 1bku h LEU 9 Ca 0.16 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.11 1bku h LEU 9 Cb 0.47 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.06 1bku h LEU 9 CO 0.02 0.39 0.24 1.23 0.09 0.00 0.00 178.44 180.41 1bku h GLY 10 N 0.48 0.70 0.83 0.83 0.00 -0.96 -1.90 103.07 103.04 1bku h GLY 10 Ca 0.13 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1bku h GLY 10 CO -0.02 0.10 -0.14 1.70 0.00 0.00 0.00 176.54 178.18 1bku h LYS 11 N 0.48 -0.37 -0.35 4.80 3.11 -0.80 -1.56 116.57 121.87 1bku h LYS 11 Ca 0.22 0.03 -0.10 0.00 -2.81 0.00 0.00 60.65 57.98 1bku h LYS 11 Cb 0.15 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.45 1bku h LYS 11 CO -0.17 -0.13 -0.21 1.37 -2.81 0.00 0.00 179.45 177.50 1bku h LEU 12 N -0.57 0.68 -0.13 5.20 8.10 -1.29 -0.55 115.31 126.76 1bku h LEU 12 Ca -0.04 -0.23 -0.01 0.00 0.11 0.00 0.00 57.88 57.71 1bku h LEU 12 Cb 0.41 -0.19 -0.01 0.00 -0.44 0.00 0.00 40.66 40.44 1bku h LEU 12 CO 0.06 0.89 0.05 0.28 -4.11 0.00 0.00 178.44 175.61 1bku h SER 13 N 0.60 0.18 -0.32 0.17 0.02 -1.34 -1.14 113.55 111.70 1bku h SER 13 Ca 0.09 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.93 1bku h SER 13 Cb 0.69 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1bku h SER 13 CO 0.05 0.28 0.06 -0.61 -1.14 0.00 0.00 176.83 175.48 1bku h GLN 14 N 0.06 0.17 -0.14 3.45 -0.00 -1.12 -1.46 115.11 116.08 1bku h GLN 14 Ca 0.04 -0.01 -0.01 0.00 -0.00 0.00 0.00 58.65 58.67 1bku h GLN 14 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.59 1bku h GLN 14 CO -0.00 0.11 0.04 1.49 0.00 0.00 0.00 178.83 180.47 1bku h GLU 15 N 0.18 0.21 -0.72 1.69 4.57 -0.93 0.08 114.58 119.66 1bku h GLU 15 Ca 0.15 -0.05 -0.02 0.00 -1.18 0.00 0.00 59.36 58.26 1bku h GLU 15 Cb 0.17 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.69 1bku h GLU 15 CO -0.20 0.35 0.36 -0.07 -1.18 0.00 0.00 179.01 178.28 1bku h LEU 16 N 0.03 0.92 -0.74 1.64 3.38 -1.17 -1.51 115.31 117.86 1bku h LEU 16 Ca 0.04 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1bku h LEU 16 Cb 0.23 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1bku h LEU 16 CO -0.00 0.78 -0.07 -0.74 0.09 0.00 0.00 178.44 178.50 1bku h HIS 17 N 1.00 0.97 -0.03 1.13 2.76 -1.09 0.48 115.15 120.37 1bku h HIS 17 Ca 0.25 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1bku h HIS 17 Cb 0.09 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 1bku h HIS 17 CO 0.00 0.92 0.00 -0.22 -1.30 0.00 0.00 177.93 177.33 1bku h LYS 18 N 0.81 0.05 0.00 5.26 1.63 -0.71 -3.36 116.57 120.24 1bku h LYS 18 Ca 0.14 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.92 1bku h LYS 18 Cb 0.58 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.21 1bku h LYS 18 CO 0.04 0.31 0.00 1.28 -3.45 0.00 0.00 179.45 177.63 1bku n LEU 19 N -4.92 0.87 0.00 5.20 4.77 -0.59 -4.82 117.00 117.51 1bku n LEU 19 Ca -0.07 0.44 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 1bku n LEU 19 Cb 0.16 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.11 1bku n LEU 19 CO 0.34 -0.15 0.00 1.67 -1.33 0.00 0.00 177.39 177.92 1bku n GLN 20 N -0.94 0.00 -0.05 3.23 7.27 0.15 -1.47 117.38 125.57 1bku n GLN 20 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 57.00 56.90 1bku n GLN 20 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1bku n GLN 20 CO 0.00 0.00 0.00 1.15 0.07 0.00 0.00 177.06 178.28 1bku h THR 21 N 0.00 1.50 -6.53 1.69 2.02 -1.88 -3.50 112.91 106.22 1bku h THR 21 Ca 0.00 -2.34 -0.40 0.00 0.77 0.00 0.00 66.41 64.44 1bku h THR 21 Cb 0.00 3.06 0.01 0.00 -1.74 0.00 0.00 68.15 69.48 1bku h THR 21 CO 0.00 0.57 -1.09 0.00 0.37 0.00 0.00 175.52 175.37 1bku n TYR 22 N -4.44 -2.50 -1.58 3.16 4.11 -0.54 -4.90 117.16 110.47 1bku n TYR 22 Ca -0.17 1.03 -0.37 0.00 -0.00 0.00 0.00 57.90 58.40 1bku n TYR 22 Cb 0.61 -2.37 0.06 0.00 -0.00 0.00 0.00 39.34 37.65 1bku n TYR 22 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.86 174.56 1bku n PRO 23 N -1.20 0.82 -1.98 -3.48 -0.02 -1.26 -4.88 135.00 123.00 1bku n PRO 23 Ca -0.17 0.33 -0.40 0.00 -2.02 0.00 0.00 63.50 61.24 1bku n PRO 23 Cb 0.67 -2.23 -0.02 0.00 -0.02 0.00 0.00 33.50 31.90 1bku n PRO 23 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1bku n ARG 24 N -1.36 2.53 -3.33 -0.52 0.63 0.52 -4.47 116.66 110.65 1bku n ARG 24 Ca 0.14 -2.69 -0.21 0.00 -0.92 0.00 0.00 57.85 54.18 1bku n ARG 24 Cb 0.48 -3.38 0.01 0.00 0.45 0.00 0.00 32.46 30.03 1bku n ARG 24 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 1bku n THR 25 N 6.17 -6.74 0.00 5.15 -2.24 -1.26 -3.34 114.28 112.02 1bku n THR 25 Ca 0.49 0.20 0.00 0.00 -2.27 0.00 0.00 64.05 62.47 1bku n THR 25 Cb 0.43 -4.97 0.00 0.00 -2.10 0.00 0.00 70.33 63.69 1bku n THR 25 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1bku n ASP 26 N -1.13 0.00 -4.75 3.42 8.00 -1.26 -4.92 116.55 115.92 1bku n ASP 26 Ca -0.08 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.00 1bku n ASP 26 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.69 1bku n ASP 26 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1bku n VAL 27 N 0.00 1.64 0.08 2.53 0.31 -1.21 -4.92 118.33 116.76 1bku n VAL 27 Ca 0.00 -0.41 -0.04 0.00 -0.01 0.00 0.00 64.34 63.88 1bku n VAL 27 Cb 0.00 -1.88 -0.02 0.00 -0.91 0.00 0.00 33.84 31.03 1bku n VAL 27 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1bku h GLY 28 N 3.53 -0.40 -5.00 2.92 0.00 -1.64 0.15 103.07 102.63 1bku h GLY 28 Ca -0.49 0.16 -0.22 0.00 0.00 0.00 0.00 47.33 46.79 1bku h GLY 28 CO 0.69 -0.14 -0.46 0.00 0.00 0.00 0.00 176.54 176.63 1bku n ALA 29 N -2.18 -1.42 0.00 3.60 0.00 -1.26 -1.48 120.51 117.77 1bku n ALA 29 Ca -0.03 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1bku n ALA 29 Cb 0.09 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1bku n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bku n GLY 30 N 1.40 1.69 3.73 0.00 0.00 -1.26 -4.92 105.19 105.82 1bku n GLY 30 Ca 0.08 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1bku n GLY 30 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1bku s THR 31 N 0.00 3.55 -2.00 2.61 2.01 -1.26 -5.04 115.64 115.52 1bku s THR 31 Ca 0.00 1.20 0.17 0.00 0.31 0.00 0.00 61.69 63.37 1bku s THR 31 Cb 0.00 -3.77 0.48 0.00 0.01 0.00 0.00 72.50 69.22 1bku s THR 31 CO 0.00 0.14 1.41 -0.81 -0.69 0.00 0.00 174.62 174.67