#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k7b s PRO 12 N 0.44 -0.50 0.53 0.00 0.02 -1.26 -4.94 135.00 129.29 1k7b s PRO 12 Ca 0.00 1.06 -0.21 0.00 0.02 0.00 0.00 61.00 61.87 1k7b s PRO 12 Cb 0.00 -1.59 -0.05 0.00 0.02 0.00 0.00 34.50 32.88 1k7b s PRO 12 CO 0.00 -3.51 1.23 -1.25 -0.33 0.00 0.00 177.00 173.14 1k7b s PRO 13 N -4.48 3.29 -1.83 5.54 0.04 -1.26 -2.67 135.00 133.64 1k7b s PRO 13 Ca 0.68 1.91 0.00 0.00 0.04 0.00 0.00 61.00 63.63 1k7b s PRO 13 Cb -0.25 -2.18 0.00 0.00 0.04 0.00 0.00 34.50 32.12 1k7b s PRO 13 CO 0.63 -0.97 0.00 0.41 0.04 0.00 0.00 177.00 177.11 1k7b n GLY 14 N 0.53 1.14 2.95 0.56 0.00 -1.26 -5.01 105.19 104.10 1k7b n GLY 14 Ca 0.11 -0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1k7b n GLY 14 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k7b s GLN 15 N -3.96 0.94 0.22 1.61 -0.21 -1.09 -0.55 119.66 116.63 1k7b s GLN 15 Ca 0.00 -0.22 0.05 0.00 0.02 0.00 0.00 55.36 55.22 1k7b s GLN 15 Cb 0.00 -0.89 -0.05 0.00 1.00 0.00 0.00 33.01 33.07 1k7b s GLN 15 CO 0.00 0.02 -0.07 -0.59 -2.12 0.00 0.00 175.29 172.53 1k7b s PHE 16 N 0.55 1.64 0.02 0.91 -0.71 -0.29 -4.25 117.98 115.85 1k7b s PHE 16 Ca -0.08 -0.75 -0.00 0.00 -1.04 0.00 0.00 56.93 55.06 1k7b s PHE 16 Cb -0.12 -0.89 -0.04 0.00 -1.21 0.00 0.00 43.02 40.77 1k7b s PHE 16 CO 0.01 0.16 0.11 -0.98 -1.34 0.00 0.00 175.22 173.17 1k7b s ARG 17 N -3.75 3.12 0.00 1.99 1.70 -1.26 -0.51 118.95 120.24 1k7b s ARG 17 Ca 0.25 -0.50 0.00 0.00 -0.47 0.00 0.00 55.73 55.01 1k7b s ARG 17 Cb 0.03 -2.89 0.00 0.00 -0.57 0.00 0.00 34.95 31.53 1k7b s ARG 17 CO 0.08 0.63 0.00 0.00 -1.08 0.00 0.00 175.30 174.93 1k7b n SER 19 N 0.00 2.57 -3.70 0.00 3.41 -1.26 -4.86 113.62 109.78 1k7b n SER 19 Ca 0.00 -3.68 -0.18 0.00 -0.26 0.00 0.00 58.87 54.75 1k7b n SER 19 Cb 0.00 -0.61 -0.17 0.00 -0.26 0.00 0.00 64.21 63.17 1k7b n SER 19 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 1k7b s GLU 20 N -3.19 -0.03 0.89 4.33 2.12 -1.26 -5.11 118.70 116.45 1k7b s GLU 20 Ca 0.44 0.37 -0.12 0.00 0.36 0.00 0.00 54.97 56.02 1k7b s GLU 20 Cb 0.39 -0.37 0.13 0.00 0.26 0.00 0.00 34.13 34.54 1k7b s GLU 20 CO 0.00 -0.27 1.10 -1.25 -0.54 0.00 0.00 175.26 174.31 1k7b s PRO 21 N 1.84 1.31 1.05 4.30 0.04 -1.26 -4.97 135.00 137.31 1k7b s PRO 21 Ca -0.00 0.58 -0.12 0.00 0.04 0.00 0.00 61.00 61.50 1k7b s PRO 21 Cb -0.12 -1.83 0.22 0.00 0.04 0.00 0.00 34.50 32.80 1k7b s PRO 21 CO -0.04 -2.15 1.07 -1.25 0.04 0.00 0.00 177.00 174.67 1k7b s PRO 22 N -5.09 -0.01 0.00 0.56 0.04 -1.26 -3.26 135.00 125.99 1k7b s PRO 22 Ca 0.63 0.73 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1k7b s PRO 22 Cb -0.16 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.71 1k7b s PRO 22 CO 0.55 -3.09 0.00 0.41 0.04 0.00 0.00 177.00 174.92 1k7b n GLY 23 N -0.27 2.55 2.60 0.56 0.00 -1.26 -4.87 105.19 104.50 1k7b n GLY 23 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1k7b n GLY 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k7b n ALA 24 N 0.15 3.49 -0.30 4.61 0.00 -1.20 -5.03 120.51 122.22 1k7b n ALA 24 Ca 0.00 -4.33 0.14 0.00 0.00 0.00 0.00 53.44 49.24 1k7b n ALA 24 Cb 0.00 -0.93 0.37 0.00 0.00 0.00 0.00 19.45 18.90 1k7b n ALA 24 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1k7b h HIS 25 N 4.85 0.88 0.00 0.00 -0.00 -1.90 -3.44 115.15 115.54 1k7b h HIS 25 Ca 0.17 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.57 1k7b h HIS 25 Cb 0.75 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1k7b h HIS 25 CO 0.62 0.26 0.00 0.41 -0.00 0.00 0.00 177.93 179.22 1k7b n GLY 26 N -1.41 2.01 2.74 2.45 0.00 -1.26 -4.65 105.19 105.07 1k7b n GLY 26 Ca 0.20 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.52 1k7b n GLY 26 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1k7b s GLU 27 N 0.00 0.62 0.94 1.61 2.12 -1.26 -5.15 118.70 117.58 1k7b s GLU 27 Ca 0.00 -0.21 -0.16 0.00 0.36 0.00 0.00 54.97 54.97 1k7b s GLU 27 Cb 0.00 -1.67 0.24 0.00 0.26 0.00 0.00 34.13 32.96 1k7b s GLU 27 CO 0.00 -0.51 0.74 0.00 -0.54 0.00 0.00 175.26 174.94 1k7b s TYR 29 N -2.23 0.34 0.62 0.00 2.02 0.34 -4.96 117.35 113.47 1k7b s TYR 29 Ca 0.50 -0.75 -0.19 0.00 -0.37 0.00 0.00 57.07 56.26 1k7b s TYR 29 Cb -0.06 -0.24 -0.02 0.00 -0.40 0.00 0.00 41.96 41.23 1k7b s TYR 29 CO 0.40 -0.37 1.31 -2.30 -1.57 0.00 0.00 175.55 173.01 1k7b n PRO 30 N 0.50 1.27 0.00 -1.71 -0.02 -1.26 -1.13 135.00 132.64 1k7b n PRO 30 Ca -0.17 0.49 0.13 0.00 -2.02 0.00 0.00 63.50 61.92 1k7b n PRO 30 Cb 0.60 -2.54 0.73 0.00 -0.02 0.00 0.00 33.50 32.27 1k7b n PRO 30 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1k7b n GLN 31 N -1.65 0.69 -0.04 -0.52 6.02 0.28 -1.08 117.38 121.08 1k7b n GLN 31 Ca 0.14 0.01 0.01 0.00 -0.01 0.00 0.00 57.00 57.16 1k7b n GLN 31 Cb 0.47 -1.50 0.33 0.00 1.02 0.00 0.00 30.24 30.56 1k7b n GLN 31 CO 0.00 0.00 0.00 0.22 -1.01 0.00 0.00 177.06 176.27 1k7b h ASP 32 N 0.00 0.56 -0.81 1.08 3.58 -1.91 -2.79 116.42 116.13 1k7b h ASP 32 Ca 0.00 -0.05 -0.46 0.00 0.42 0.00 0.00 57.03 56.93 1k7b h ASP 32 Cb 0.06 -0.14 -0.19 0.00 1.72 0.00 0.00 39.33 40.78 1k7b h ASP 32 CO 0.00 0.50 0.55 0.79 -2.88 0.00 0.00 179.24 178.20 1k7b n TRP 33 N -4.38 2.00 -3.74 0.28 7.02 -0.24 -4.04 117.44 114.34 1k7b n TRP 33 Ca 0.03 -2.22 -0.29 0.00 -1.02 0.00 0.00 57.50 54.01 1k7b n TRP 33 Cb 0.14 -1.17 -0.16 0.00 -2.42 0.00 0.00 31.31 27.70 1k7b n TRP 33 CO 0.00 0.00 0.00 -1.17 -2.02 0.00 0.00 177.69 174.50 1k7b s LEU 34 N -2.47 1.72 -0.90 -0.99 2.96 -1.05 -4.79 118.68 113.16 1k7b s LEU 34 Ca 0.46 -1.22 -0.06 0.00 -0.22 0.00 0.00 54.13 53.09 1k7b s LEU 34 Cb 0.34 -0.75 -0.01 0.00 0.50 0.00 0.00 46.19 46.27 1k7b s LEU 34 CO -0.08 -0.35 0.74 0.00 -1.32 0.00 0.00 176.35 175.34 1k7b n ASP 36 N -2.38 0.51 0.00 0.00 2.03 -1.26 -4.92 116.55 110.54 1k7b n ASP 36 Ca -0.10 0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.56 1k7b n ASP 36 Cb 0.58 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.61 1k7b n ASP 36 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k7b n GLY 37 N 1.40 0.72 3.03 0.27 0.00 -1.26 -5.03 105.19 104.32 1k7b n GLY 37 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 1k7b n GLY 37 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1k7b s HIS 38 N -2.56 -0.41 0.58 1.61 5.04 -1.26 -5.17 115.29 113.13 1k7b s HIS 38 Ca 0.00 0.94 -0.17 0.00 -1.54 0.00 0.00 55.06 54.29 1k7b s HIS 38 Cb 0.00 0.00 -0.04 0.00 0.04 0.00 0.00 32.58 32.58 1k7b s HIS 38 CO 0.00 -0.32 1.09 -1.25 -2.34 0.00 0.00 174.74 171.91 1k7b s PRO 39 N 2.07 3.26 0.00 2.88 0.05 -1.26 -4.81 135.00 137.19 1k7b s PRO 39 Ca -0.02 1.37 0.00 0.00 0.05 0.00 0.00 61.00 62.40 1k7b s PRO 39 Cb -0.11 -2.01 0.00 0.00 0.05 0.00 0.00 34.50 32.42 1k7b s PRO 39 CO -0.09 -0.88 0.12 -3.47 0.05 0.00 0.00 177.00 172.73 1k7b n ASP 40 N -1.80 0.00 -0.01 6.66 -0.08 -1.26 -4.92 116.55 115.14 1k7b n ASP 40 Ca 0.10 -1.00 0.00 0.00 -1.51 0.00 0.00 54.79 52.38 1k7b n ASP 40 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 1k7b n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1k7b n ASP 42 N -0.49 0.00 0.00 0.00 2.03 -1.26 -4.16 116.55 112.67 1k7b n ASP 42 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1k7b n ASP 42 Cb 0.00 -1.07 0.00 0.00 -0.72 0.00 0.00 41.12 39.34 1k7b n ASP 42 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1k7b n ASP 43 N 0.00 0.29 -0.62 1.67 2.03 -1.26 -5.02 116.55 113.65 1k7b n ASP 43 Ca 0.00 -0.62 -0.08 0.00 0.52 0.00 0.00 54.79 54.61 1k7b n ASP 43 Cb 0.00 0.47 -0.03 0.00 -0.72 0.00 0.00 41.12 40.84 1k7b n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1k7b n GLY 44 N 0.47 0.89 0.00 0.27 0.00 -1.26 -4.89 105.19 100.68 1k7b n GLY 44 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.91 1k7b n GLY 44 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1k7b n ARG 45 N -1.47 0.81 0.09 1.61 1.85 -1.26 -1.52 116.66 116.77 1k7b n ARG 45 Ca -0.08 0.00 -0.05 0.00 -1.00 0.00 0.00 57.85 56.72 1k7b n ARG 45 Cb 0.43 -1.26 -0.00 0.00 -1.05 0.00 0.00 32.46 30.58 1k7b n ARG 45 CO 0.00 0.00 0.00 0.38 -0.01 0.00 0.00 177.63 178.00 1k7b h ASP 46 N 0.00 0.00 0.73 2.89 2.03 -1.90 -3.30 116.42 116.87 1k7b h ASP 46 Ca 0.00 0.00 -0.23 0.00 -0.73 0.00 0.00 57.03 56.07 1k7b h ASP 46 Cb 0.00 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.49 1k7b h ASP 46 CO 0.00 0.84 -1.06 -0.33 -1.03 0.00 0.00 179.24 177.66 1k7b h GLU 47 N 0.00 0.17 -6.10 4.15 4.39 -1.59 -0.86 114.58 114.74 1k7b h GLU 47 Ca -0.01 -0.25 -0.58 0.00 0.34 0.00 0.00 59.36 58.86 1k7b h GLU 47 Cb 1.50 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.23 1k7b h GLU 47 CO 0.11 1.08 1.41 -1.58 -1.16 0.00 0.00 179.01 178.86 1k7b s TRP 48 N -2.83 1.39 0.00 4.33 0.52 -1.24 -1.48 118.94 119.64 1k7b s TRP 48 Ca -0.02 0.52 0.00 0.00 0.02 0.00 0.00 56.10 56.62 1k7b s TRP 48 Cb 0.09 -4.00 0.00 0.00 -1.15 0.00 0.00 33.47 28.41 1k7b s TRP 48 CO 0.85 -3.79 0.00 0.41 0.02 0.00 0.00 176.95 174.44 1k7b n GLY 49 N 5.57 0.63 2.31 0.98 0.00 -1.26 -4.24 105.19 109.19 1k7b n GLY 49 Ca 0.27 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32