#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 0.71 -0.18 0.47 0.00 0.02 -1.26 -4.93 135.00 129.83 1k7b s PRO 12 Ca 0.00 1.14 -0.24 0.00 0.02 0.00 0.00 61.00 61.92 1k7b s PRO 12 Cb 0.00 -1.62 -0.07 0.00 0.02 0.00 0.00 34.50 32.83 1k7b s PRO 12 CO 0.00 -3.31 1.28 -1.25 -0.33 0.00 0.00 177.00 173.39 1k7b s PRO 13 N -4.53 3.62 -1.28 5.54 0.04 -1.26 -2.48 135.00 134.65 1k7b s PRO 13 Ca 0.68 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.78 1k7b s PRO 13 Cb -0.24 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.82 1k7b s PRO 13 CO 0.62 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.32 1k7b n GLY 14 N 0.61 1.28 2.87 0.56 0.00 -1.26 -5.03 105.19 104.22 1k7b n GLY 14 Ca 0.07 -0.46 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.07 0.87 0.32 1.61 -0.21 -1.03 -0.62 119.66 117.52 1k7b s GLN 15 Ca 0.00 -0.08 0.08 0.00 0.02 0.00 0.00 55.36 55.38 1k7b s GLN 15 Cb 0.00 -0.95 -0.06 0.00 1.00 0.00 0.00 33.01 33.00 1k7b s GLN 15 CO 0.00 -0.14 -0.08 -0.59 -2.12 0.00 0.00 175.29 172.36 1k7b s PHE 16 N 1.20 2.20 0.02 0.91 -0.71 -0.27 -4.05 117.98 117.28 1k7b s PHE 16 Ca -0.06 -0.59 -0.01 0.00 -1.04 0.00 0.00 56.93 55.23 1k7b s PHE 16 Cb -0.14 -1.26 -0.04 0.00 -1.21 0.00 0.00 43.02 40.37 1k7b s PHE 16 CO -0.02 0.45 0.16 -0.98 -1.34 0.00 0.00 175.22 173.49 1k7b s ARG 17 N -3.66 3.31 0.00 1.99 1.70 -1.26 -0.53 118.95 120.50 1k7b s ARG 17 Ca 0.31 -0.42 0.00 0.00 -0.47 0.00 0.00 55.73 55.15 1k7b s ARG 17 Cb 0.03 -3.00 0.00 0.00 -0.57 0.00 0.00 34.95 31.41 1k7b s ARG 17 CO 0.14 0.64 0.00 0.00 -1.08 0.00 0.00 175.30 175.01 1k7b n SER 19 N 0.00 2.67 -3.66 0.00 3.41 -1.26 -4.82 113.62 109.96 1k7b n SER 19 Ca 0.00 -3.73 -0.19 0.00 -0.26 0.00 0.00 58.87 54.69 1k7b n SER 19 Cb 0.00 -0.65 -0.17 0.00 -0.26 0.00 0.00 64.21 63.13 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 -3.23 -0.02 0.94 4.33 2.56 -1.26 -5.10 118.70 116.93 1k7b s GLU 20 Ca 0.46 0.43 -0.12 0.00 0.00 0.00 0.00 54.97 55.73 1k7b s GLU 20 Cb 0.41 -0.51 0.16 0.00 2.00 0.00 0.00 34.13 36.19 1k7b s GLU 20 CO 0.01 -0.35 1.11 -1.25 -0.56 0.00 0.00 175.26 174.22 1k7b s PRO 21 N 2.23 0.88 1.06 4.30 0.04 -1.26 -4.97 135.00 137.28 1k7b s PRO 21 Ca 0.04 0.44 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 1k7b s PRO 21 Cb -0.12 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.74 1k7b s PRO 21 CO -0.05 -2.40 0.40 -2.30 0.04 0.00 0.00 177.00 172.69 1k7b n PRO 22 N -3.93 -1.28 0.00 0.56 -0.02 -1.26 -3.20 135.00 125.86 1k7b n PRO 22 Ca 0.06 -0.34 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 1k7b n PRO 22 Cb 0.58 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 1k7b n PRO 22 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1k7b n GLY 23 N 1.53 2.15 2.65 -1.23 0.00 -1.26 -4.82 105.19 104.22 1k7b n GLY 23 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 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 0.21 4.33 -0.26 4.61 0.00 -1.20 -4.99 120.51 123.21 1k7b n ALA 24 Ca 0.00 -4.76 0.21 0.00 0.00 0.00 0.00 53.44 48.89 1k7b n ALA 24 Cb 0.00 -1.36 0.54 0.00 0.00 0.00 0.00 19.45 18.63 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 4.71 0.49 -0.24 0.00 -0.00 -1.88 -3.43 115.15 114.80 1k7b h HIS 25 Ca 0.19 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.58 1k7b h HIS 25 Cb 0.66 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 1k7b h HIS 25 CO 0.80 0.11 0.00 0.41 -0.00 0.00 0.00 177.93 179.24 1k7b n GLY 26 N -1.54 0.78 2.91 2.45 0.00 -1.26 -4.70 105.19 103.83 1k7b n GLY 26 Ca 0.21 -0.73 -0.29 0.00 0.00 0.00 0.00 46.02 45.20 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 1.50 1.16 1.61 2.12 -1.26 -5.14 118.70 118.70 1k7b s GLU 27 Ca 0.00 -0.72 -0.20 0.00 0.36 0.00 0.00 54.97 54.41 1k7b s GLU 27 Cb 0.00 -2.28 0.29 0.00 0.26 0.00 0.00 34.13 32.40 1k7b s GLU 27 CO 0.00 -0.51 1.03 0.00 -0.54 0.00 0.00 175.26 175.24 1k7b s TYR 29 N -2.88 0.25 0.61 0.00 2.02 0.31 -4.96 117.35 112.70 1k7b s TYR 29 Ca 0.67 -0.59 -0.19 0.00 -0.37 0.00 0.00 57.07 56.58 1k7b s TYR 29 Cb -0.07 -0.18 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1k7b s TYR 29 CO 0.52 -0.36 1.33 -2.14 -1.57 0.00 0.00 175.55 173.32 1k7b s PRO 30 N -2.78 2.75 0.00 -1.71 0.02 -1.26 -1.11 135.00 130.91 1k7b s PRO 30 Ca -0.04 2.15 0.25 0.00 0.02 0.00 0.00 61.00 63.38 1k7b s PRO 30 Cb -0.00 -2.00 1.40 0.00 0.02 0.00 0.00 34.50 33.92 1k7b s PRO 30 CO -0.05 -1.47 1.83 1.04 -0.33 0.00 0.00 177.00 178.02 1k7b n GLN 31 N -1.59 0.64 -0.04 5.54 6.02 0.21 -1.01 117.38 127.15 1k7b n GLN 31 Ca 0.14 0.02 0.02 0.00 -0.01 0.00 0.00 57.00 57.17 1k7b n GLN 31 Cb 0.47 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.57 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 0.55 -0.93 1.08 3.58 -1.91 -2.76 116.42 116.04 1k7b h ASP 32 Ca 0.00 -0.04 -0.50 0.00 0.42 0.00 0.00 57.03 56.90 1k7b h ASP 32 Cb 0.07 -0.14 -0.20 0.00 1.72 0.00 0.00 39.33 40.78 1k7b h ASP 32 CO 0.00 0.47 0.59 0.79 -2.88 0.00 0.00 179.24 178.21 1k7b n TRP 33 N -4.40 2.11 -3.72 0.28 7.02 -0.18 -4.06 117.44 114.48 1k7b n TRP 33 Ca 0.03 -2.25 -0.29 0.00 -1.02 0.00 0.00 57.50 53.98 1k7b n TRP 33 Cb 0.12 -1.21 -0.16 0.00 -2.42 0.00 0.00 31.31 27.64 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 -2.63 1.55 -0.90 -0.99 2.96 -1.04 -4.78 118.68 112.84 1k7b s LEU 34 Ca 0.49 -1.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.16 1k7b s LEU 34 Cb 0.36 -0.69 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 1k7b s LEU 34 CO -0.11 -0.35 0.72 0.00 -1.32 0.00 0.00 176.35 175.29 1k7b n ASP 36 N -2.36 0.57 0.00 0.00 2.03 -1.26 -4.93 116.55 110.61 1k7b n ASP 36 Ca -0.11 0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1k7b n ASP 36 Cb 0.58 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.55 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 1.38 0.72 3.03 0.27 0.00 -1.26 -5.03 105.19 104.29 1k7b n GLY 37 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.53 -0.41 0.58 1.61 5.04 -1.26 -5.17 115.29 113.15 1k7b s HIS 38 Ca 0.00 0.95 -0.17 0.00 -1.54 0.00 0.00 55.06 54.29 1k7b s HIS 38 Cb 0.00 -0.01 -0.04 0.00 0.04 0.00 0.00 32.58 32.57 1k7b s HIS 38 CO 0.00 -0.33 1.09 -1.25 -2.34 0.00 0.00 174.74 171.91 1k7b s PRO 39 N 2.14 3.26 0.00 2.88 0.05 -1.26 -4.81 135.00 137.26 1k7b s PRO 39 Ca -0.01 1.39 0.00 0.00 0.05 0.00 0.00 61.00 62.43 1k7b s PRO 39 Cb -0.12 -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 0.11 -3.47 0.05 0.00 0.00 177.00 172.72 1k7b n ASP 40 N -1.77 0.00 0.00 6.66 -0.08 -1.26 -4.91 116.55 115.18 1k7b n ASP 40 Ca 0.10 -1.00 0.01 0.00 -1.51 0.00 0.00 54.79 52.39 1k7b n ASP 40 Cb 0.52 0.00 0.04 0.00 2.34 0.00 0.00 41.12 44.02 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 -0.53 0.00 0.00 0.00 2.03 -1.26 -4.16 116.55 112.63 1k7b n ASP 42 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 1k7b n ASP 42 Cb 0.00 -1.06 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 0.27 -0.60 1.67 2.03 -1.26 -5.02 116.55 113.65 1k7b n ASP 43 Ca 0.00 -0.60 -0.08 0.00 0.52 0.00 0.00 54.79 54.63 1k7b n ASP 43 Cb 0.00 0.54 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 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 0.54 0.87 0.00 0.27 0.00 -1.26 -4.88 105.19 100.72 1k7b n GLY 44 Ca 0.00 -0.17 0.07 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.41 0.81 0.10 1.61 1.85 -1.26 -1.49 116.66 116.87 1k7b n ARG 45 Ca -0.08 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.73 1k7b n ARG 45 Cb 0.43 -1.27 0.02 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 -3.30 116.42 116.88 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 0.81 -1.06 -0.33 -1.03 0.00 0.00 179.24 177.63 1k7b h GLU 47 N 0.00 0.16 -6.07 4.15 4.39 -1.58 -0.71 114.58 114.93 1k7b h GLU 47 Ca -0.01 -0.25 -0.59 0.00 0.34 0.00 0.00 59.36 58.86 1k7b h GLU 47 Cb 1.45 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.18 1k7b h GLU 47 CO 0.11 1.07 1.43 -1.58 -1.16 0.00 0.00 179.01 178.88 1k7b s TRP 48 N -2.83 1.34 0.00 4.33 0.52 -1.24 -1.44 118.94 119.62 1k7b s TRP 48 Ca -0.02 0.55 0.00 0.00 0.02 0.00 0.00 56.10 56.65 1k7b s TRP 48 Cb 0.09 -3.98 0.00 0.00 -1.15 0.00 0.00 33.47 28.43 1k7b s TRP 48 CO 0.85 -3.81 0.00 0.41 0.02 0.00 0.00 176.95 174.42 1k7b n GLY 49 N 5.65 0.84 2.41 0.98 0.00 -1.26 -4.26 105.19 109.54 1k7b n GLY 49 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 1k7b n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32