#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bku h SER 2 N 0.00 -0.10 -3.22 0.00 0.02 -2.03 -3.43 113.55 104.80 1bku h SER 2 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 1bku h SER 2 Cb 0.00 0.03 -0.06 0.00 0.14 0.00 0.00 62.40 62.51 1bku h SER 2 CO 0.00 0.32 1.05 0.21 -1.14 0.00 0.00 176.83 177.27 1bku s ASN 3 N -5.04 6.33 -1.21 3.07 3.84 -1.26 -4.92 114.94 115.75 1bku s ASN 3 Ca -0.02 0.56 -0.08 0.00 0.21 0.00 0.00 52.86 53.53 1bku s ASN 3 Cb 0.00 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.12 1bku s ASN 3 CO 0.05 -1.49 2.87 0.18 -2.79 0.00 0.00 177.10 175.92 1bku n LEU 4 N 8.87 7.87 0.17 3.21 4.77 -1.26 -2.08 117.00 138.55 1bku n LEU 4 Ca 0.14 -4.33 0.00 0.00 -0.03 0.00 0.00 56.01 51.79 1bku n LEU 4 Cb 0.49 -1.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.12 1bku n LEU 4 CO 0.71 1.99 0.00 -0.24 -1.33 0.00 0.00 177.39 178.52 1bku n SER 5 N 2.63 -1.69 -0.10 -1.43 2.88 -1.26 -4.70 113.62 109.95 1bku n SER 5 Ca 0.66 0.62 -0.09 0.00 -1.33 0.00 0.00 58.87 58.73 1bku n SER 5 Cb 0.36 1.72 -0.02 0.00 -0.75 0.00 0.00 64.21 65.52 1bku n SER 5 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1bku h THR 6 N 0.00 1.14 0.79 2.46 2.02 -2.00 -2.60 112.91 114.72 1bku h THR 6 Ca 0.00 -0.38 -0.04 0.00 0.77 0.00 0.00 66.41 66.76 1bku h THR 6 Cb 0.00 0.83 0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1bku h THR 6 CO 0.00 0.14 -0.39 0.00 0.37 0.00 0.00 175.52 175.64 1bku h VAL 8 N -1.08 1.26 -0.76 0.00 3.04 -1.78 0.01 116.25 116.93 1bku h VAL 8 Ca -0.11 -0.59 0.02 0.00 -1.01 0.00 0.00 66.70 65.01 1bku h VAL 8 Cb 0.83 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.29 30.06 1bku h VAL 8 CO 0.17 0.28 0.50 -0.07 -1.01 0.00 0.00 177.57 177.43 1bku h LEU 9 N 1.26 0.85 0.04 3.16 3.38 -1.50 -1.91 115.31 120.58 1bku h LEU 9 Ca 0.32 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.29 1bku h LEU 9 Cb -0.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 1bku h LEU 9 CO -0.06 0.60 -0.08 1.23 0.09 0.00 0.00 178.44 180.22 1bku h GLY 10 N 1.00 -0.12 0.86 0.83 0.00 -0.58 -1.98 103.07 103.08 1bku h GLY 10 Ca 0.29 0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.71 1bku h GLY 10 CO -0.08 -0.09 -0.16 0.50 0.00 0.00 0.00 176.54 176.72 1bku h LYS 11 N -0.16 -0.35 -0.20 4.80 1.79 -0.77 -1.17 116.57 120.51 1bku h LYS 11 Ca 0.02 0.02 -0.10 0.00 -2.18 0.00 0.00 60.65 58.42 1bku h LYS 11 Cb 0.18 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 1bku h LYS 11 CO -0.06 -0.23 -0.30 1.37 -1.08 0.00 0.00 179.45 179.15 1bku h LEU 12 N -0.37 0.40 -0.21 2.94 8.10 -1.40 -1.19 115.31 123.59 1bku h LEU 12 Ca -0.01 -0.14 -0.02 0.00 0.11 0.00 0.00 57.88 57.82 1bku h LEU 12 Cb 0.33 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 40.43 1bku h LEU 12 CO -0.01 0.69 0.06 -1.28 -4.11 0.00 0.00 178.44 173.78 1bku h SER 13 N 0.34 0.31 -0.74 0.17 0.87 -1.16 -2.28 113.55 111.06 1bku h SER 13 Ca 0.05 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.40 1bku h SER 13 Cb 0.70 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.55 1bku h SER 13 CO 0.05 0.44 0.49 1.56 -0.53 0.00 0.00 176.83 178.84 1bku h GLN 14 N 0.16 0.98 -0.29 2.24 4.20 -1.07 -3.09 115.11 118.25 1bku h GLN 14 Ca 0.07 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.74 1bku h GLN 14 Cb 0.25 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 1bku h GLN 14 CO -0.00 0.65 0.14 1.49 -0.67 0.00 0.00 178.83 180.44 1bku h GLU 15 N 1.01 0.28 0.00 1.46 4.81 -1.02 0.24 114.58 121.36 1bku h GLU 15 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1bku h GLU 15 Cb -0.11 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.21 1bku h GLU 15 CO -0.06 0.18 0.00 1.47 -0.73 0.00 0.00 179.01 179.88 1bku n LEU 16 N -4.97 0.00 -0.02 1.64 -0.00 -0.87 -1.87 117.00 110.91 1bku n LEU 16 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.98 1bku n LEU 16 Cb 0.07 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.47 1bku n LEU 16 CO 0.31 0.00 -0.61 1.41 -0.00 0.00 0.00 177.39 178.49 1bku n HIS 17 N -0.52 0.00 0.12 1.47 8.25 -0.76 -4.53 115.22 119.25 1bku n HIS 17 Ca 0.01 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.34 1bku n HIS 17 Cb 0.00 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 30.88 1bku n HIS 17 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1bku h LYS 18 N 0.00 -0.52 0.00 -0.41 3.11 -0.23 -3.39 116.57 115.14 1bku h LYS 18 Ca -0.09 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.78 1bku h LYS 18 Cb 1.21 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.56 1bku h LYS 18 CO 0.00 -0.34 0.00 1.47 -2.81 0.00 0.00 179.45 177.77 1bku n LEU 19 N -5.41 0.00 0.00 5.20 -0.00 -1.16 -4.20 117.00 111.43 1bku n LEU 19 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 1bku n LEU 19 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 1bku n LEU 19 CO 0.24 0.00 0.00 1.67 -0.00 0.00 0.00 177.39 179.30 1bku n GLN 20 N 0.00 0.00 -0.03 1.47 7.27 -1.26 -3.59 117.38 121.23 1bku n GLN 20 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.07 1bku n GLN 20 Cb 0.00 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 32.65 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 0.00 0.00 1.69 2.02 -1.83 -3.38 112.91 111.41 1bku h THR 21 Ca 0.00 -0.66 0.00 0.00 0.77 0.00 0.00 66.41 66.52 1bku h THR 21 Cb 0.00 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1bku h THR 21 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1bku n TYR 22 N -3.83 -0.64 -1.56 3.16 4.01 -1.24 -3.97 117.16 113.10 1bku n TYR 22 Ca -0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1bku n TYR 22 Cb 0.01 0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.14 1bku n TYR 22 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 1bku n PRO 23 N -1.65 1.30 -0.96 -0.72 -0.02 -1.26 -4.56 135.00 127.12 1bku n PRO 23 Ca 0.00 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 1bku n PRO 23 Cb 0.00 -3.33 0.00 0.00 -0.02 0.00 0.00 33.50 30.15 1bku n PRO 23 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1bku n ARG 24 N 8.91 0.00 -0.31 -0.52 1.85 -1.26 -3.55 116.66 121.79 1bku n ARG 24 Ca 0.36 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 57.30 1bku n ARG 24 Cb 0.50 0.00 0.26 0.00 -1.05 0.00 0.00 32.46 32.17 1bku n ARG 24 CO 0.00 0.00 0.00 1.15 -0.01 0.00 0.00 177.63 178.77 1bku h THR 25 N 0.63 0.68 -4.44 8.89 2.02 -2.02 -3.47 112.91 115.19 1bku h THR 25 Ca 0.00 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 66.92 1bku h THR 25 Cb 0.00 0.02 0.04 0.00 -1.74 0.00 0.00 68.15 66.47 1bku h THR 25 CO 0.00 0.11 -0.16 -0.67 0.37 0.00 0.00 175.52 175.17 1bku n ASP 26 N -4.88 -5.27 0.00 4.18 -0.08 -1.26 -4.96 116.55 104.26 1bku n ASP 26 Ca 0.19 -0.16 0.00 0.00 -1.51 0.00 0.00 54.79 53.31 1bku n ASP 26 Cb 0.50 -3.52 0.00 0.00 2.34 0.00 0.00 41.12 40.44 1bku n ASP 26 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1bku n VAL 27 N -1.80 0.00 -1.93 5.18 0.31 -1.26 -4.23 118.33 114.59 1bku n VAL 27 Ca -0.01 0.26 -0.40 0.00 -0.01 0.00 0.00 64.34 64.18 1bku n VAL 27 Cb 0.52 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.64 1bku n VAL 27 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1bku n GLY 28 N 2.23 4.94 2.35 2.92 0.00 -1.26 -4.49 105.19 111.89 1bku n GLY 28 Ca 0.00 -1.95 -0.16 0.00 0.00 0.00 0.00 46.02 43.91 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 2.60 -0.54 -0.60 4.61 0.00 -1.26 -4.73 120.51 120.59 1bku n ALA 29 Ca 0.61 0.18 0.00 0.00 0.00 0.00 0.00 53.44 54.22 1bku n ALA 29 Cb 0.27 -1.74 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 -0.68 2.24 3.82 0.00 0.00 -1.26 -4.48 105.19 104.84 1bku n GLY 30 Ca -0.18 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 1bku n GLY 30 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1bku s THR 31 N 0.00 4.41 -2.00 2.61 -4.23 -1.26 -4.88 115.64 110.29 1bku s THR 31 Ca 0.00 1.45 0.24 0.00 -1.18 0.00 0.00 61.69 62.20 1bku s THR 31 Cb 0.00 -3.60 0.69 0.00 1.34 0.00 0.00 72.50 70.93 1bku s THR 31 CO 0.00 -0.31 1.81 -0.81 -0.54 0.00 0.00 174.62 174.77