#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khb s LEU 2 N 0.00 0.37 -0.31 0.99 1.43 0.84 -4.98 118.68 117.01 2khb s LEU 2 Ca 0.00 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.65 2khb s LEU 2 Cb 0.00 0.89 -0.17 0.00 0.03 0.00 0.00 46.19 46.94 2khb s LEU 2 CO 0.00 -0.16 2.75 -0.81 0.23 0.00 0.00 176.35 178.36 2khb n PRO 3 N 4.08 1.83 -0.05 1.29 -0.04 -1.26 -1.82 135.00 139.03 2khb n PRO 3 Ca -0.23 -1.01 -0.14 0.00 -0.04 0.00 0.00 63.50 62.07 2khb n PRO 3 Cb 0.54 -2.06 -0.07 0.00 -0.04 0.00 0.00 33.50 31.87 2khb n PRO 3 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2khb h VAL 4 N 2.51 1.36 -1.50 0.52 2.07 -1.93 -3.46 116.25 115.82 2khb h VAL 4 Ca 0.27 -1.50 -0.47 0.00 0.82 0.00 0.00 66.70 65.82 2khb h VAL 4 Cb 0.90 1.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.63 2khb h VAL 4 CO 0.63 0.45 -0.35 0.00 0.02 0.00 0.00 177.57 178.32 2khb n GLY 6 N -1.62 0.61 3.75 0.00 0.00 -1.23 -4.62 105.19 102.08 2khb n GLY 6 Ca 0.05 -0.03 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2khb n GLY 6 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2khb s GLU 7 N 0.00 4.76 -0.08 1.61 8.01 -1.26 -4.80 118.70 126.94 2khb s GLU 7 Ca 0.01 1.63 -0.30 0.00 0.01 0.00 0.00 54.97 56.32 2khb s GLU 7 Cb 0.01 -3.24 -0.03 0.00 -4.31 0.00 0.00 34.13 26.56 2khb s GLU 7 CO -0.01 0.38 1.24 0.95 0.01 0.00 0.00 175.26 177.84 2khb s THR 8 N -1.17 4.21 -0.39 3.63 -4.23 -1.26 -0.02 115.64 116.41 2khb s THR 8 Ca 0.43 1.52 0.01 0.00 -1.18 0.00 0.00 61.69 62.46 2khb s THR 8 Cb -0.29 -3.98 0.38 0.00 1.34 0.00 0.00 72.50 69.96 2khb s THR 8 CO 0.36 -0.04 1.84 0.00 -0.54 0.00 0.00 174.62 176.23 2khb h VAL 10 N 0.85 1.25 -0.51 0.00 2.07 -1.84 -1.99 116.25 116.08 2khb h VAL 10 Ca 0.43 -0.69 -0.16 0.00 0.82 0.00 0.00 66.70 67.10 2khb h VAL 10 Cb 1.56 0.23 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 2khb h VAL 10 CO 0.94 0.30 0.20 0.61 0.02 0.00 0.00 177.57 179.64 2khb n GLY 11 N -1.00 3.02 3.52 2.17 0.00 -1.26 -4.90 105.19 106.74 2khb n GLY 11 Ca 0.07 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2khb n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2khb n GLY 12 N -0.05 -0.39 3.27 -0.02 0.00 -0.75 -5.01 105.19 102.24 2khb n GLY 12 Ca 0.28 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.33 2khb n GLY 12 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2khb s THR 13 N -3.39 0.08 0.00 2.61 -1.32 -1.26 -5.06 115.64 107.30 2khb s THR 13 Ca 0.15 -0.66 0.00 0.00 -1.21 0.00 0.00 61.69 59.97 2khb s THR 13 Cb -0.07 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.92 2khb s THR 13 CO 0.75 -0.36 0.00 0.00 -2.21 0.00 0.00 174.62 172.79 2khb n ASN 15 N -2.17 0.00 -4.60 0.00 3.02 -1.26 -4.91 115.26 105.33 2khb n ASN 15 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.12 2khb n ASN 15 Cb 0.17 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.31 2khb n ASN 15 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2khb s THR 16 N 0.00 3.19 0.22 3.41 2.01 -1.26 -4.93 115.64 118.28 2khb s THR 16 Ca 0.00 0.19 -0.31 0.00 0.31 0.00 0.00 61.69 61.88 2khb s THR 16 Cb 0.00 -3.24 -0.11 0.00 0.01 0.00 0.00 72.50 69.16 2khb s THR 16 CO 0.00 -0.15 1.63 -2.16 -0.69 0.00 0.00 174.62 173.25 2khb s PRO 17 N 5.98 4.16 0.00 4.92 0.04 -1.26 -1.86 135.00 146.97 2khb s PRO 17 Ca 0.92 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.48 2khb s PRO 17 Cb -0.30 -3.08 0.00 0.00 0.04 0.00 0.00 34.50 31.16 2khb s PRO 17 CO 0.35 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.13 2khb n GLY 18 N 3.30 3.22 3.79 0.56 0.00 -1.26 -5.05 105.19 109.77 2khb n GLY 18 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2khb n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2khb s THR 20 N -0.27 5.35 -0.07 0.00 2.01 0.14 -4.84 115.64 117.95 2khb s THR 20 Ca 0.14 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.57 2khb s THR 20 Cb -0.12 -3.62 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2khb s THR 20 CO 0.03 0.14 1.16 0.00 -0.69 0.00 0.00 174.62 175.27 2khb n SER 22 N 5.22 3.06 -1.53 0.00 2.88 0.15 -4.92 113.62 118.47 2khb n SER 22 Ca 0.11 -3.36 -0.20 0.00 -1.33 0.00 0.00 58.87 54.08 2khb n SER 22 Cb 0.47 -0.62 -0.03 0.00 -0.75 0.00 0.00 64.21 63.28 2khb n SER 22 CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68 2khb n TRP 23 N 0.40 0.27 -0.71 0.66 -0.00 -1.26 -1.30 117.44 115.50 2khb n TRP 23 Ca 0.28 0.36 -0.18 0.00 -0.00 0.00 0.00 57.50 57.96 2khb n TRP 23 Cb 0.46 -0.71 0.14 0.00 -0.00 0.00 0.00 31.31 31.20 2khb n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2khb n PRO 24 N 0.63 1.96 -3.90 5.87 -0.04 -1.26 -5.06 135.00 133.20 2khb n PRO 24 Ca 0.07 -2.31 -0.14 0.00 -0.04 0.00 0.00 63.50 61.09 2khb n PRO 24 Cb 0.02 -1.91 -0.15 0.00 -0.04 0.00 0.00 33.50 31.43 2khb n PRO 24 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 2khb s VAL 25 N -2.53 0.07 0.21 0.52 -7.23 -0.42 -0.69 120.40 110.32 2khb s VAL 25 Ca 0.44 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.34 2khb s VAL 25 Cb 0.37 -0.10 -0.09 0.00 0.56 0.00 0.00 36.38 37.12 2khb s VAL 25 CO 0.08 0.05 0.86 0.00 -0.31 0.00 0.00 175.10 175.78 2khb s THR 27 N -1.17 0.00 -0.18 0.00 -1.32 0.17 -3.54 115.64 109.60 2khb s THR 27 Ca 0.39 -1.45 -0.13 0.00 -1.21 0.00 0.00 61.69 59.28 2khb s THR 27 Cb -0.25 -2.38 -0.05 0.00 -1.51 0.00 0.00 72.50 68.32 2khb s THR 27 CO 0.29 0.00 0.27 -0.60 -2.21 0.00 0.00 174.62 172.37 2khb s ARG 28 N -3.64 4.22 0.00 7.08 6.06 -0.75 0.24 118.95 132.16 2khb s ARG 28 Ca 0.25 0.02 0.29 0.00 -2.50 0.00 0.00 55.73 53.79 2khb s ARG 28 Cb -0.01 -3.46 1.74 0.00 0.06 0.00 0.00 34.95 33.29 2khb s ARG 28 CO 0.12 0.18 2.08 0.27 -2.50 0.00 0.00 175.30 175.45