#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 0.59 -0.32 0.99 1.43 -1.26 -5.05 118.68 115.06 2khb s LEU 2 Ca 0.00 0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 53.66 2khb s LEU 2 Cb 0.00 0.97 -0.17 0.00 0.03 0.00 0.00 46.19 47.02 2khb s LEU 2 CO 0.00 -0.13 2.77 -0.81 0.23 0.00 0.00 176.35 178.41 2khb n PRO 3 N 3.52 1.85 -0.05 1.29 -0.04 -1.26 -4.46 135.00 135.86 2khb n PRO 3 Ca -0.18 -1.03 -0.14 0.00 -0.04 0.00 0.00 63.50 62.11 2khb n PRO 3 Cb 0.56 -2.07 -0.08 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 1.37 -3.37 0.52 2.07 -2.00 -3.45 116.25 113.90 2khb h VAL 4 Ca 0.28 -1.52 -0.49 0.00 0.82 0.00 0.00 66.70 65.80 2khb h VAL 4 Cb 0.90 2.04 0.03 0.00 -1.52 0.00 0.00 31.29 32.74 2khb h VAL 4 CO 0.64 0.45 0.04 0.00 0.02 0.00 0.00 177.57 178.71 2khb n GLY 6 N -2.16 -0.05 3.82 0.00 0.00 -1.26 -4.92 105.19 100.61 2khb n GLY 6 Ca -0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 2khb n GLY 6 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2khb s GLU 7 N 0.00 4.24 -0.07 1.61 1.03 -1.26 -4.89 118.70 119.36 2khb s GLU 7 Ca 0.00 0.87 -0.30 0.00 0.03 0.00 0.00 54.97 55.57 2khb s GLU 7 Cb 0.00 -2.84 -0.02 0.00 -0.80 0.00 0.00 34.13 30.47 2khb s GLU 7 CO 0.00 0.37 1.12 0.95 -1.33 0.00 0.00 175.26 176.37 2khb s THR 8 N -1.57 4.47 -0.39 1.83 -4.23 -1.26 -0.39 115.64 114.10 2khb s THR 8 Ca 0.44 1.77 -0.00 0.00 -1.18 0.00 0.00 61.69 62.72 2khb s THR 8 Cb -0.16 -4.14 0.32 0.00 1.34 0.00 0.00 72.50 69.86 2khb s THR 8 CO 0.21 0.01 1.93 0.00 -0.54 0.00 0.00 174.62 176.22 2khb h VAL 10 N 0.92 1.18 -0.51 0.00 3.04 -1.85 -1.76 116.25 117.26 2khb h VAL 10 Ca 0.39 -0.54 -0.07 0.00 -1.01 0.00 0.00 66.70 65.48 2khb h VAL 10 Cb 1.17 0.59 -0.04 0.00 -2.01 0.00 0.00 31.29 31.01 2khb h VAL 10 CO 0.95 0.21 0.09 0.61 -1.01 0.00 0.00 177.57 178.41 2khb n GLY 11 N -1.15 2.90 3.44 3.17 0.00 -1.26 -4.91 105.19 107.37 2khb n GLY 11 Ca 0.04 -0.75 -0.20 0.00 0.00 0.00 0.00 46.02 45.11 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 0.28 -0.41 3.27 -0.02 0.00 -0.66 -5.01 105.19 102.64 2khb n GLY 12 Ca 0.26 0.15 -0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -3.33 0.06 -0.01 2.61 -1.32 -1.26 -5.11 115.64 107.28 2khb s THR 13 Ca 0.25 -0.52 0.04 0.00 -1.21 0.00 0.00 61.69 60.25 2khb s THR 13 Cb -0.11 -0.81 -0.01 0.00 -1.51 0.00 0.00 72.50 70.06 2khb s THR 13 CO 0.71 -0.29 -0.12 0.00 -2.21 0.00 0.00 174.62 172.71 2khb h ASN 15 N 5.77 0.05 -3.27 0.00 -1.24 -1.95 -3.46 115.58 111.49 2khb h ASN 15 Ca -0.33 -0.57 -0.57 0.00 0.71 0.00 0.00 56.30 55.54 2khb h ASN 15 Cb 1.17 -0.02 -0.05 0.00 0.73 0.00 0.00 38.32 40.15 2khb h ASN 15 CO 0.49 1.52 1.00 -0.89 -1.29 0.00 0.00 177.43 178.26 2khb s THR 16 N -2.38 4.06 0.26 -3.57 2.01 -1.26 -4.98 115.64 109.78 2khb s THR 16 Ca -0.28 1.15 -0.31 0.00 0.31 0.00 0.00 61.69 62.56 2khb s THR 16 Cb 0.06 -4.23 -0.12 0.00 0.01 0.00 0.00 72.50 68.22 2khb s THR 16 CO 0.62 -0.65 1.65 -2.16 -0.69 0.00 0.00 174.62 173.39 2khb s PRO 17 N 4.49 4.12 0.00 4.92 0.04 -1.26 -1.82 135.00 145.49 2khb s PRO 17 Ca 0.57 2.60 0.00 0.00 0.04 0.00 0.00 61.00 64.21 2khb s PRO 17 Cb -0.14 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.36 2khb s PRO 17 CO 0.28 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2khb n GLY 18 N 2.90 2.42 3.71 0.56 0.00 -1.26 -5.05 105.19 108.47 2khb n GLY 18 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 0.90 4.77 0.03 0.00 -1.32 0.68 -4.74 115.64 115.96 2khb s THR 20 Ca 0.28 -0.17 -0.29 0.00 -1.21 0.00 0.00 61.69 60.29 2khb s THR 20 Cb -0.16 -3.78 -0.04 0.00 -1.51 0.00 0.00 72.50 67.01 2khb s THR 20 CO 0.12 -0.64 0.95 0.00 -2.21 0.00 0.00 174.62 172.83 2khb n SER 22 N 3.54 0.54 -2.16 0.00 7.64 0.09 -4.91 113.62 118.37 2khb n SER 22 Ca 0.04 -2.79 -0.29 0.00 1.01 0.00 0.00 58.87 56.85 2khb n SER 22 Cb 0.50 -0.64 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 2khb n SER 22 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 2khb n TRP 23 N 1.23 0.35 -0.97 1.43 -0.00 -1.26 -1.17 117.44 117.05 2khb n TRP 23 Ca 0.22 0.51 -0.23 0.00 -0.00 0.00 0.00 57.50 58.00 2khb n TRP 23 Cb 0.53 -1.00 0.12 0.00 -0.00 0.00 0.00 31.31 30.96 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 0.82 2.16 -3.85 5.87 -0.04 -1.26 -5.07 135.00 133.63 2khb n PRO 24 Ca 0.10 -2.58 -0.12 0.00 -0.04 0.00 0.00 63.50 60.86 2khb n PRO 24 Cb 0.03 -2.01 -0.12 0.00 -0.04 0.00 0.00 33.50 31.36 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 -3.16 0.03 0.26 0.52 -7.23 -0.32 -0.81 120.40 109.70 2khb s VAL 25 Ca 0.50 -0.29 -0.24 0.00 -1.81 0.00 0.00 61.98 60.14 2khb s VAL 25 Cb 0.41 -0.29 -0.09 0.00 0.56 0.00 0.00 36.38 36.97 2khb s VAL 25 CO 0.06 -0.16 0.84 0.00 -0.31 0.00 0.00 175.10 175.53 2khb s THR 27 N -1.51 0.10 -0.43 0.00 -1.32 0.53 -4.26 115.64 108.74 2khb s THR 27 Ca 0.45 -0.84 -0.07 0.00 -1.21 0.00 0.00 61.69 60.03 2khb s THR 27 Cb -0.19 -1.16 -0.19 0.00 -1.51 0.00 0.00 72.50 69.45 2khb s THR 27 CO 0.23 -0.46 3.38 -1.14 -2.21 0.00 0.00 174.62 174.42 2khb n ARG 28 N 0.08 2.48 0.00 7.08 3.00 -1.26 -0.23 116.66 127.80 2khb n ARG 28 Ca -0.16 -1.45 0.11 0.00 -0.00 0.00 0.00 57.85 56.34 2khb n ARG 28 Cb 0.62 -2.20 0.63 0.00 0.00 0.00 0.00 32.46 31.50 2khb n ARG 28 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92