#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 1.78 0.14 0.00 7.64 -1.26 -4.87 113.62 117.04 1bku n SER 2 Ca 0.00 0.29 0.00 0.00 1.01 0.00 0.00 58.87 60.17 1bku n SER 2 Cb 0.00 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 62.54 1bku n SER 2 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1bku n ASN 3 N -4.27 -0.39 0.00 6.43 3.02 -1.26 -5.04 115.26 113.76 1bku n ASN 3 Ca -0.12 0.47 0.00 0.00 -0.03 0.00 0.00 54.58 54.90 1bku n ASN 3 Cb 0.42 0.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.17 1bku n ASN 3 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1bku n LEU 4 N -3.37 0.00 0.27 3.41 -0.00 -1.26 -4.87 117.00 111.18 1bku n LEU 4 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1bku n LEU 4 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1bku n LEU 4 CO 0.00 0.00 0.41 0.77 -0.00 0.00 0.00 177.39 178.57 1bku h SER 5 N 0.00 -0.60 -0.25 1.45 4.64 -1.99 -1.62 113.55 115.17 1bku h SER 5 Ca 0.00 0.02 0.04 0.00 -0.47 0.00 0.00 61.79 61.38 1bku h SER 5 Cb 0.00 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.23 1bku h SER 5 CO 0.00 -0.36 0.17 0.74 -0.87 0.00 0.00 176.83 176.51 1bku h THR 6 N -0.86 0.97 0.16 2.95 2.02 -1.97 -1.46 112.91 114.71 1bku h THR 6 Ca -0.07 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.04 1bku h THR 6 Cb 0.55 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 1bku h THR 6 CO 0.12 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.97 1bku h VAL 8 N -0.55 1.24 -0.63 0.00 2.07 -1.06 -0.98 116.25 116.34 1bku h VAL 8 Ca -0.02 -0.76 0.05 0.00 0.82 0.00 0.00 66.70 66.78 1bku h VAL 8 Cb 0.42 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 1bku h VAL 8 CO 0.03 0.22 0.36 -0.07 0.02 0.00 0.00 177.57 178.14 1bku h LEU 9 N 0.00 0.55 -0.53 2.57 3.38 -1.34 -1.27 115.31 118.67 1bku h LEU 9 Ca 0.04 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1bku h LEU 9 Cb 0.33 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1bku h LEU 9 CO 0.00 0.36 0.29 1.23 0.09 0.00 0.00 178.44 180.42 1bku h GLY 10 N 0.68 0.79 0.93 0.83 0.00 -0.92 -1.03 103.07 104.34 1bku h GLY 10 Ca 0.27 -0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 1bku h GLY 10 CO -0.15 0.34 -0.02 1.70 0.00 0.00 0.00 176.54 178.40 1bku h LYS 11 N 0.70 -0.06 -0.58 4.80 3.64 -0.74 -0.78 116.57 123.55 1bku h LYS 11 Ca 0.19 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1bku h LYS 11 Cb 0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 1bku h LYS 11 CO -0.03 0.03 0.29 -0.07 -2.27 0.00 0.00 179.45 177.40 1bku h LEU 12 N -0.13 0.75 -0.63 5.20 3.38 -1.19 -0.81 115.31 121.88 1bku h LEU 12 Ca -0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.84 1bku h LEU 12 Cb 0.11 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 1bku h LEU 12 CO 0.01 0.66 0.37 -1.28 0.09 0.00 0.00 178.44 178.29 1bku h SER 13 N 0.79 0.76 -0.56 -0.43 0.87 -1.08 -0.98 113.55 112.93 1bku h SER 13 Ca 0.20 -0.07 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 1bku h SER 13 Cb 0.10 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1bku h SER 13 CO -0.03 0.61 -0.07 -0.61 -0.53 0.00 0.00 176.83 176.20 1bku h GLN 14 N 0.86 1.04 -0.08 2.24 5.75 -0.89 -0.89 115.11 123.14 1bku h GLN 14 Ca 0.23 -0.36 -0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1bku h GLN 14 Cb -0.01 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 28.46 1bku h GLN 14 CO -0.04 1.06 0.04 1.49 -2.65 0.00 0.00 178.83 178.73 1bku h GLU 15 N 0.93 0.12 -0.37 1.69 4.22 -0.90 -0.09 114.58 120.18 1bku h GLU 15 Ca 0.15 -0.02 0.03 0.00 0.08 0.00 0.00 59.36 59.61 1bku h GLU 15 Cb 0.64 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 1bku h GLU 15 CO 0.04 0.19 0.16 1.25 -2.18 0.00 0.00 179.01 178.47 1bku h LEU 16 N 0.02 0.21 -0.77 1.64 6.46 -1.11 -2.42 115.31 119.33 1bku h LEU 16 Ca 0.03 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 1bku h LEU 16 Cb 0.11 -0.01 -0.04 0.00 -0.73 0.00 0.00 40.66 40.00 1bku h LEU 16 CO -0.00 0.16 0.45 -0.74 -0.62 0.00 0.00 178.44 177.68 1bku h HIS 17 N 0.33 1.04 -0.62 1.25 2.76 -0.99 -0.66 115.15 118.26 1bku h HIS 17 Ca 0.16 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1bku h HIS 17 Cb 0.10 -0.34 -0.04 0.00 1.55 0.00 0.00 27.41 28.68 1bku h HIS 17 CO -0.12 0.71 0.38 -0.22 -1.30 0.00 0.00 177.93 177.38 1bku h LYS 18 N 1.06 0.71 0.15 5.26 3.11 -0.66 -3.16 116.57 123.04 1bku h LYS 18 Ca 0.27 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.06 1bku h LYS 18 Cb -0.01 -0.16 0.00 0.00 -1.00 0.00 0.00 32.23 31.06 1bku h LYS 18 CO -0.05 0.47 -0.07 -0.07 -2.81 0.00 0.00 179.45 176.92 1bku h LEU 19 N 0.74 -0.17 0.00 5.20 3.38 -1.18 -3.45 115.31 119.82 1bku h LEU 19 Ca 0.25 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1bku h LEU 19 Cb 0.04 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1bku h LEU 19 CO -0.11 -0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.33 1bku n GLN 20 N -2.72 0.00 -0.09 1.13 10.64 -0.28 -1.11 117.38 124.96 1bku n GLN 20 Ca -0.02 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.97 1bku n GLN 20 Cb 0.08 0.00 -0.06 0.00 -0.86 0.00 0.00 30.24 29.40 1bku n GLN 20 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 1bku n THR 21 N 0.00 1.07 -3.16 -0.39 -1.04 -1.26 -5.08 114.28 104.42 1bku n THR 21 Ca 0.00 -0.19 -0.06 0.00 -2.04 0.00 0.00 64.05 61.76 1bku n THR 21 Cb 0.00 -1.80 0.00 0.00 -1.82 0.00 0.00 70.33 66.71 1bku n THR 21 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1bku n TYR 22 N -3.87 -2.90 -1.51 -1.42 9.36 -0.27 -4.88 117.16 111.67 1bku n TYR 22 Ca -0.33 1.13 -0.40 0.00 3.32 0.00 0.00 57.90 61.62 1bku n TYR 22 Cb 0.70 -3.83 -0.02 0.00 -0.63 0.00 0.00 39.34 35.56 1bku n TYR 22 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1bku n PRO 23 N -1.66 3.51 -3.39 2.98 -0.04 -1.26 -4.38 135.00 130.77 1bku n PRO 23 Ca -0.04 -2.43 -0.16 0.00 -0.04 0.00 0.00 63.50 60.83 1bku n PRO 23 Cb 0.53 -2.94 0.03 0.00 -0.04 0.00 0.00 33.50 31.08 1bku n PRO 23 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1bku n ARG 24 N 4.21 -1.52 -0.35 0.54 5.12 -1.26 -4.74 116.66 118.66 1bku n ARG 24 Ca 0.69 0.95 0.00 0.00 -1.93 0.00 0.00 57.85 57.56 1bku n ARG 24 Cb 0.28 -4.79 0.00 0.00 -1.16 0.00 0.00 32.46 26.79 1bku n ARG 24 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 1bku n THR 25 N -2.92 -1.93 -1.80 0.55 -1.04 -1.26 -4.79 114.28 101.09 1bku n THR 25 Ca -0.09 0.51 -0.41 0.00 -2.04 0.00 0.00 64.05 62.02 1bku n THR 25 Cb 0.58 -1.01 -0.01 0.00 -1.82 0.00 0.00 70.33 68.08 1bku n THR 25 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1bku n ASP 26 N -0.71 5.59 0.05 8.00 9.92 -1.26 -4.67 116.55 133.47 1bku n ASP 26 Ca 0.00 -2.87 -0.10 0.00 -0.53 0.00 0.00 54.79 51.29 1bku n ASP 26 Cb 0.00 -1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 38.84 1bku n ASP 26 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1bku h VAL 27 N 3.59 0.74 0.00 2.53 2.07 -1.89 -3.48 116.25 119.81 1bku h VAL 27 Ca 0.61 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1bku h VAL 27 Cb 0.53 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1bku h VAL 27 CO 1.77 0.20 0.00 0.61 0.02 0.00 0.00 177.57 180.18 1bku n GLY 28 N 0.79 2.15 2.60 2.17 0.00 -1.26 -4.68 105.19 106.96 1bku n GLY 28 Ca -0.07 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1bku n GLY 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bku n ALA 29 N 0.00 6.29 0.16 4.61 0.00 -1.26 -4.67 120.51 125.64 1bku n ALA 29 Ca 0.00 -3.92 -0.08 0.00 0.00 0.00 0.00 53.44 49.43 1bku n ALA 29 Cb 0.00 -3.23 -0.04 0.00 0.00 0.00 0.00 19.45 16.18 1bku n ALA 29 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1bku h GLY 30 N 7.89 -0.50 -6.62 0.00 0.00 -2.01 -3.40 103.07 98.43 1bku h GLY 30 Ca 0.64 0.19 -0.60 0.00 0.00 0.00 0.00 47.33 47.55 1bku h GLY 30 CO 1.73 -0.18 -0.81 2.41 0.00 0.00 0.00 176.54 179.69 1bku n THR 31 N -5.10 0.12 1.30 4.70 -1.04 -1.26 -5.21 114.28 107.78 1bku n THR 31 Ca -0.07 -4.12 0.10 0.00 -2.04 0.00 0.00 64.05 57.93 1bku n THR 31 Cb 0.22 -1.90 0.62 0.00 -1.82 0.00 0.00 70.33 67.44 1bku n THR 31 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62