#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgh n PHE 2 N 0.00 2.43 0.00 9.51 1.16 -1.26 -4.90 117.46 124.40 2kgh n PHE 2 Ca 0.00 -2.53 0.00 0.00 -1.87 0.00 0.00 57.45 53.05 2kgh n PHE 2 Cb 0.00 -2.16 0.00 0.00 -1.61 0.00 0.00 39.48 35.71 2kgh n PHE 2 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 2kgh n GLU 3 N 5.31 0.00 0.00 3.97 1.02 -1.26 -4.52 120.64 125.16 2kgh n GLU 3 Ca 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.70 2kgh n GLU 3 Cb 0.30 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.72 2kgh n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgh n VAL 5 N 0.00 0.00 -2.80 0.00 0.31 -1.23 -5.08 118.33 109.54 2kgh n VAL 5 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.22 2kgh n VAL 5 Cb 0.00 -0.49 0.05 0.00 -0.91 0.00 0.00 33.84 32.49 2kgh n VAL 5 CO 0.00 0.00 0.00 0.33 -1.32 0.00 0.00 176.83 175.84 2kgh n PHE 6 N -2.64 -1.82 1.22 3.52 -0.00 -1.17 -4.86 117.46 111.71 2kgh n PHE 6 Ca 0.00 0.64 0.12 0.00 -0.00 0.00 0.00 57.45 58.21 2kgh n PHE 6 Cb 0.00 -3.72 0.38 0.00 -0.00 0.00 0.00 39.48 36.14 2kgh n PHE 6 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 2kgh n SER 7 N -2.77 2.01 0.00 -2.13 7.64 -1.26 -4.60 113.62 112.51 2kgh n SER 7 Ca -0.06 -1.70 0.00 0.00 1.01 0.00 0.00 58.87 58.13 2kgh n SER 7 Cb 0.59 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 2kgh n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kgh s ASP 9 N -2.21 4.79 0.65 0.00 1.11 -1.26 -4.48 116.67 115.27 2kgh s ASP 9 Ca 0.00 2.32 0.38 0.00 0.18 0.00 0.00 52.55 55.43 2kgh s ASP 9 Cb 0.00 -2.59 2.12 0.00 1.07 0.00 0.00 42.92 43.52 2kgh s ASP 9 CO 0.00 -1.86 2.25 -0.29 1.18 0.00 0.00 175.17 176.45 2kgh h ILE 10 N 0.30 0.14 0.00 0.77 2.10 -1.85 0.26 117.51 119.22 2kgh h ILE 10 Ca -0.49 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.42 2kgh h ILE 10 Cb 1.29 0.93 -0.01 0.00 -1.09 0.00 0.00 36.82 37.94 2kgh h ILE 10 CO 0.53 0.00 -1.15 1.17 -1.08 0.00 0.00 178.15 177.61 2kgh n LYS 11 N -3.26 3.09 0.15 2.19 4.81 -1.26 -3.97 118.16 119.92 2kgh n LYS 11 Ca -0.02 -0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.42 2kgh n LYS 11 Cb 0.15 -1.06 0.21 0.00 0.02 0.00 0.00 35.03 34.35 2kgh n LYS 11 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2kgh h LYS 12 N 0.00 0.00 0.00 1.64 1.79 -1.92 -3.44 116.57 114.64 2kgh h LYS 12 Ca -0.05 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kgh h LYS 12 Cb 0.99 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.64 2kgh h LYS 12 CO 0.00 0.55 0.00 -1.91 -1.08 0.00 0.00 179.45 177.01 2kgh n GLU 13 N -3.66 1.18 0.00 3.15 0.00 0.07 -3.03 120.64 118.35 2kgh n GLU 13 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.15 2kgh n GLU 13 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 2kgh n GLU 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgh n GLY 14 N 1.73 0.69 0.00 8.31 0.00 -1.16 -4.53 105.19 110.23 2kgh n GLY 14 Ca 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.65 2kgh n GLY 14 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kgh n LYS 15 N 0.00 -2.41 -2.30 1.61 2.85 -0.73 -4.89 118.16 112.30 2kgh n LYS 15 Ca 0.00 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.85 2kgh n LYS 15 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 2kgh n LYS 15 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kgh s PRO 16 N -2.00 3.24 0.00 -1.58 0.04 -1.26 -1.80 135.00 131.64 2kgh s PRO 16 Ca 0.00 0.61 0.00 0.00 0.04 0.00 0.00 61.00 61.65 2kgh s PRO 16 Cb 0.00 -4.16 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2kgh s PRO 16 CO 0.00 -2.01 0.00 0.00 0.04 0.00 0.00 177.00 175.03 2kgh s LYS 18 N -0.55 2.13 -0.57 0.00 0.00 -1.26 -1.79 119.74 117.69 2kgh s LYS 18 Ca 0.00 -1.54 -0.27 0.00 0.00 0.00 0.00 55.97 54.17 2kgh s LYS 18 Cb 0.00 -3.27 -0.09 0.00 0.00 0.00 0.00 37.83 34.47 2kgh s LYS 18 CO 0.00 -0.80 2.46 -2.30 0.00 0.00 0.00 175.35 174.71 2kgh n PRO 19 N 4.53 0.88 -3.44 1.78 -0.02 -1.26 -4.77 135.00 132.70 2kgh n PRO 19 Ca -0.07 -0.03 -0.41 0.00 -2.02 0.00 0.00 63.50 60.97 2kgh n PRO 19 Cb 0.42 -3.18 -0.10 0.00 -0.02 0.00 0.00 33.50 30.63 2kgh n PRO 19 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kgh s LYS 20 N 8.41 3.51 0.00 -0.52 2.20 -1.26 -3.99 119.74 128.09 2kgh s LYS 20 Ca 1.03 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 56.13 2kgh s LYS 20 Cb -0.32 -3.82 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 2kgh s LYS 20 CO 0.29 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.17 2kgh n GLY 21 N 5.01 0.56 3.86 5.54 0.00 -1.26 -5.00 105.19 113.90 2kgh n GLY 21 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2kgh n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kgh s GLU 22 N -0.83 3.89 -0.03 1.61 -6.30 -1.26 -4.99 118.70 110.81 2kgh s GLU 22 Ca 0.00 0.37 0.19 0.00 -2.50 0.00 0.00 54.97 53.03 2kgh s GLU 22 Cb 0.00 -2.87 -0.29 0.00 0.00 0.00 0.00 34.13 30.97 2kgh s GLU 22 CO 0.00 0.45 0.42 1.63 0.02 0.00 0.00 175.26 177.78 2kgh n LYS 23 N 0.57 0.58 -0.10 4.30 5.02 -1.26 -4.66 118.16 122.61 2kgh n LYS 23 Ca -0.04 -0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 55.91 2kgh n LYS 23 Cb 0.52 -1.45 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 2kgh n LYS 23 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kgh n LYS 24 N -2.14 0.47 -2.55 1.97 5.02 -1.26 -4.96 118.16 114.72 2kgh n LYS 24 Ca -0.03 0.15 -0.41 0.00 -2.02 0.00 0.00 58.31 56.00 2kgh n LYS 24 Cb 0.49 -1.33 -0.04 0.00 -0.02 0.00 0.00 35.03 34.12 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kgh s THR 26 N -0.66 1.60 0.32 0.00 2.01 -1.26 -4.72 115.64 112.93 2kgh s THR 26 Ca 0.46 -1.75 -0.29 0.00 0.31 0.00 0.00 61.69 60.43 2kgh s THR 26 Cb -0.29 -2.35 -0.10 0.00 0.01 0.00 0.00 72.50 69.77 2kgh s THR 26 CO 0.36 0.00 1.33 -0.83 -0.69 0.00 0.00 174.62 174.79 2kgh s GLY 27 N -4.03 2.90 0.00 4.40 0.00 -1.26 -3.32 107.32 106.01 2kgh s GLY 27 Ca 0.24 1.28 0.00 0.00 0.00 0.00 0.00 44.72 46.24 2kgh s GLY 27 CO 0.14 1.98 0.00 0.61 0.00 0.00 0.00 173.10 175.83 2kgh n GLY 28 N 1.01 1.20 3.47 0.20 0.00 -0.74 -5.01 105.19 105.31 2kgh n GLY 28 Ca 0.01 -0.29 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 2kgh n GLY 28 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kgh s TRP 29 N -2.00 2.99 -0.42 1.61 0.52 -1.02 -1.64 118.94 118.98 2kgh s TRP 29 Ca 0.00 -0.39 -0.23 0.00 0.02 0.00 0.00 56.10 55.50 2kgh s TRP 29 Cb 0.00 -1.96 0.02 0.00 -1.15 0.00 0.00 33.47 30.38 2kgh s TRP 29 CO 0.00 -0.10 0.77 1.03 0.02 0.00 0.00 176.95 178.66 2kgh s ARG 30 N 0.46 3.53 0.14 4.98 0.52 0.75 -0.72 118.95 128.59 2kgh s ARG 30 Ca -0.04 0.02 -0.31 0.00 -0.52 0.00 0.00 55.73 54.87 2kgh s ARG 30 Cb -0.14 -3.89 -0.09 0.00 0.52 0.00 0.00 34.95 31.34 2kgh s ARG 30 CO 0.03 -1.00 1.53 0.00 0.02 0.00 0.00 175.30 175.88 2kgh s LYS 32 N 1.35 0.72 0.00 0.00 2.20 0.80 -1.76 119.74 123.05 2kgh s LYS 32 Ca 0.69 -1.54 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 2kgh s LYS 32 Cb -0.41 -1.50 0.00 0.00 -1.51 0.00 0.00 37.83 34.41 2kgh s LYS 32 CO 0.31 -1.22 0.00 -0.89 -0.36 0.00 0.00 175.35 173.19 2kgh n ILE 33 N 3.82 0.00 -0.10 5.43 5.41 -1.26 -2.63 119.36 130.03 2kgh n ILE 33 Ca 0.13 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.64 2kgh n ILE 33 Cb 0.38 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 39.19 2kgh n ILE 33 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kgh n LYS 34 N 0.00 0.60 -2.59 0.38 5.02 -1.26 -4.75 118.16 115.57 2kgh n LYS 34 Ca 0.00 0.41 -0.06 0.00 -2.02 0.00 0.00 58.31 56.64 2kgh n LYS 34 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 2kgh n LYS 34 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kgh n LEU 35 N -4.18 0.00 -4.68 -0.35 -0.00 -1.08 -5.09 117.00 101.62 2kgh n LEU 35 Ca -0.41 -1.39 -0.40 0.00 -0.00 0.00 0.00 56.01 53.82 2kgh n LEU 35 Cb 0.82 1.70 -0.06 0.00 -0.00 0.00 0.00 43.42 45.87 2kgh n LEU 35 CO 0.17 -0.40 0.34 0.00 -0.00 0.00 0.00 177.39 177.50 2kgh s LEU 37 N 1.42 2.55 0.27 0.00 2.96 0.14 -4.84 118.68 121.18 2kgh s LEU 37 Ca 0.30 -1.35 -0.26 0.00 -0.22 0.00 0.00 54.13 52.60 2kgh s LEU 37 Cb -0.16 -1.07 -0.16 0.00 0.50 0.00 0.00 46.19 45.30 2kgh s LEU 37 CO 0.12 -0.31 0.53 2.29 -1.32 0.00 0.00 176.35 177.67 2kgh n LYS 38 N 4.72 0.29 0.00 1.98 0.00 -1.26 -0.18 118.16 123.70 2kgh n LYS 38 Ca -0.07 0.10 0.13 0.00 -0.00 0.00 0.00 58.31 58.47 2kgh n LYS 38 Cb 0.44 -1.20 0.31 0.00 -0.00 0.00 0.00 35.03 34.58 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91