#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 0.00 -2.66 4.28 7.35 -1.26 -4.97 117.46 120.20 2kgh n PHE 2 Ca 0.00 -1.16 -0.42 0.00 -0.76 0.00 0.00 57.45 55.11 2kgh n PHE 2 Cb 0.00 -0.18 -0.03 0.00 0.35 0.00 0.00 39.48 39.62 2kgh n PHE 2 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 2kgh s GLU 3 N -2.94 3.49 0.00 -4.13 0.41 -1.26 -4.72 118.70 109.55 2kgh s GLU 3 Ca 0.34 0.15 0.00 0.00 -0.41 0.00 0.00 54.97 55.04 2kgh s GLU 3 Cb 0.31 -4.01 0.00 0.00 -1.78 0.00 0.00 34.13 28.65 2kgh s GLU 3 CO -0.01 -1.58 0.00 0.00 -0.49 0.00 0.00 175.26 173.18 2kgh s VAL 5 N -2.77 2.82 -0.32 0.00 0.11 -1.26 -4.92 120.40 114.06 2kgh s VAL 5 Ca 0.00 -1.71 0.16 0.00 -2.93 0.00 0.00 61.98 57.50 2kgh s VAL 5 Cb 0.00 -2.96 0.46 0.00 -1.53 0.00 0.00 36.38 32.35 2kgh s VAL 5 CO 0.00 -0.14 1.03 0.33 -3.33 0.00 0.00 175.10 172.99 2kgh n PHE 6 N -1.16 1.69 0.51 1.54 -0.00 -1.26 -4.60 117.46 114.18 2kgh n PHE 6 Ca -0.02 -2.65 0.10 0.00 -0.00 0.00 0.00 57.45 54.88 2kgh n PHE 6 Cb 0.62 -0.29 0.41 0.00 -0.00 0.00 0.00 39.48 40.22 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 -0.31 0.32 -0.07 -2.13 7.64 -1.26 -4.38 113.62 113.44 2kgh n SER 7 Ca 0.16 0.57 -0.01 0.00 1.01 0.00 0.00 58.87 60.61 2kgh n SER 7 Cb 0.80 -0.64 -0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -2.04 7.38 0.53 0.00 1.11 -1.26 -4.73 116.67 117.66 2kgh s ASP 9 Ca 0.00 2.12 0.30 0.00 0.18 0.00 0.00 52.55 55.15 2kgh s ASP 9 Cb 0.00 -2.61 1.43 0.00 1.07 0.00 0.00 42.92 42.81 2kgh s ASP 9 CO 0.00 -0.08 2.03 -0.29 1.18 0.00 0.00 175.17 178.02 2kgh h ILE 10 N 3.31 0.38 -0.01 0.77 2.10 -1.93 0.31 117.51 122.45 2kgh h ILE 10 Ca -0.45 -0.60 0.00 0.00 1.08 0.00 0.00 64.86 64.89 2kgh h ILE 10 Cb 1.21 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.37 2kgh h ILE 10 CO 0.69 0.10 -0.06 0.29 -1.08 0.00 0.00 178.15 178.09 2kgh n LYS 11 N -3.41 1.08 0.00 2.19 5.02 -1.26 -4.45 118.16 117.33 2kgh n LYS 11 Ca -0.01 -0.43 0.00 0.00 -2.02 0.00 0.00 58.31 55.85 2kgh n LYS 11 Cb 0.28 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.79 2kgh n LYS 11 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2kgh n LYS 12 N -0.58 0.00 -1.02 1.97 2.85 -1.00 -5.07 118.16 115.31 2kgh n LYS 12 Ca 0.18 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.37 2kgh n LYS 12 Cb 0.27 -0.17 0.04 0.00 -0.65 0.00 0.00 35.03 34.52 2kgh n LYS 12 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 2kgh n GLU 13 N -2.25 0.28 0.00 -1.58 0.00 0.11 -4.75 120.64 112.45 2kgh n GLU 13 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 57.16 56.47 2kgh n GLU 13 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 31.44 31.26 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 2.90 0.51 0.00 8.31 0.00 -1.21 -4.28 105.19 111.42 2kgh n GLY 14 Ca 0.04 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.61 -2.16 1.61 2.85 -0.63 -4.89 118.16 113.34 2kgh n LYS 15 Ca 0.00 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.83 2kgh n LYS 15 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2kgh n LYS 15 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 177.40 175.21 2kgh s PRO 16 N -2.00 3.46 0.35 -1.58 0.02 -1.26 -1.21 135.00 132.79 2kgh s PRO 16 Ca 0.00 1.23 0.04 0.00 0.02 0.00 0.00 61.00 62.29 2kgh s PRO 16 Cb 0.00 -4.11 -0.01 0.00 0.02 0.00 0.00 34.50 30.39 2kgh s PRO 16 CO 0.00 -1.70 0.14 0.00 -0.33 0.00 0.00 177.00 175.11 2kgh s LYS 18 N -3.33 2.88 -0.13 0.00 0.00 -1.26 -2.41 119.74 115.49 2kgh s LYS 18 Ca 0.20 -1.41 -0.38 0.00 0.00 0.00 0.00 55.97 54.38 2kgh s LYS 18 Cb 0.01 -4.06 -0.15 0.00 0.00 0.00 0.00 37.83 33.63 2kgh s LYS 18 CO 0.14 -1.04 1.63 -0.35 0.00 0.00 0.00 175.35 175.74 2kgh n PRO 19 N 5.13 1.30 -4.17 1.78 -0.04 -1.26 -4.46 135.00 133.29 2kgh n PRO 19 Ca -0.12 0.47 -0.24 0.00 -0.04 0.00 0.00 63.50 63.57 2kgh n PRO 19 Cb 0.43 -2.16 -0.17 0.00 -0.04 0.00 0.00 33.50 31.56 2kgh n PRO 19 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2kgh s LYS 20 N 2.57 1.33 0.00 0.54 2.20 -1.26 -4.57 119.74 120.54 2kgh s LYS 20 Ca 0.93 -0.23 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 2kgh s LYS 20 Cb -0.98 -1.29 0.00 0.00 -1.51 0.00 0.00 37.83 34.05 2kgh s LYS 20 CO 0.57 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.84 2kgh n GLY 21 N 4.40 1.54 3.58 5.54 0.00 -1.26 -4.82 105.19 114.17 2kgh n GLY 21 Ca -0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 2kgh n GLY 21 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2kgh s GLU 22 N -0.82 3.71 0.16 1.61 0.41 -1.26 -4.96 118.70 117.55 2kgh s GLU 22 Ca 0.00 -0.43 0.16 0.00 -0.41 0.00 0.00 54.97 54.30 2kgh s GLU 22 Cb 0.00 -3.02 -0.04 0.00 -1.78 0.00 0.00 34.13 29.28 2kgh s GLU 22 CO 0.00 0.32 1.10 0.87 -0.49 0.00 0.00 175.26 177.07 2kgh h LYS 23 N 6.47 0.00 0.00 1.61 1.57 -1.95 -3.47 116.57 120.80 2kgh h LYS 23 Ca -0.36 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.42 2kgh h LYS 23 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kgh h LYS 23 CO 0.65 0.36 0.00 1.63 -0.57 0.00 0.00 179.45 181.51 2kgh n LYS 24 N -3.02 2.62 -1.85 3.15 5.02 -1.26 -4.71 118.16 118.11 2kgh n LYS 24 Ca -0.04 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.06 2kgh n LYS 24 Cb 0.77 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.73 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 -2.79 4.91 -5.00 0.00 -1.32 -1.26 -4.51 115.64 105.67 2kgh s THR 26 Ca 0.00 1.54 0.00 0.00 -1.21 0.00 0.00 61.69 62.02 2kgh s THR 26 Cb 0.00 -4.10 0.00 0.00 -1.51 0.00 0.00 72.50 66.89 2kgh s THR 26 CO 0.00 0.04 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 2kgh n GLY 27 N 3.53 0.76 3.48 6.08 0.00 -1.26 -4.94 105.19 112.83 2kgh n GLY 27 Ca 0.03 -1.66 -0.44 0.00 0.00 0.00 0.00 46.02 43.96 2kgh n GLY 27 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgh s GLY 28 N 0.00 2.08 -0.18 -0.02 0.00 -1.26 -4.53 107.32 103.40 2kgh s GLY 28 Ca 0.00 -3.05 -0.06 0.00 0.00 0.00 0.00 44.72 41.61 2kgh s GLY 28 CO 0.00 2.18 0.03 -0.98 0.00 0.00 0.00 173.10 174.32 2kgh s TRP 29 N 2.50 3.14 -0.37 1.90 0.52 -1.01 -0.80 118.94 124.82 2kgh s TRP 29 Ca 0.42 -0.15 -0.25 0.00 0.02 0.00 0.00 56.10 56.14 2kgh s TRP 29 Cb -0.02 -2.06 0.01 0.00 -1.15 0.00 0.00 33.47 30.25 2kgh s TRP 29 CO -0.02 -0.00 0.87 1.03 0.02 0.00 0.00 176.95 178.84 2kgh s ARG 30 N 0.58 3.79 -0.00 4.98 0.52 0.12 -0.07 118.95 128.87 2kgh s ARG 30 Ca 0.01 0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 55.37 2kgh s ARG 30 Cb -0.13 -3.81 -0.04 0.00 0.52 0.00 0.00 34.95 31.49 2kgh s ARG 30 CO 0.02 -0.93 1.08 0.00 0.02 0.00 0.00 175.30 175.49 2kgh s LYS 32 N 1.34 1.87 0.65 0.00 -2.85 -0.77 -1.61 119.74 118.37 2kgh s LYS 32 Ca 0.54 -1.57 0.22 0.00 -1.00 0.00 0.00 55.97 54.17 2kgh s LYS 32 Cb -0.24 0.48 1.17 0.00 -2.06 0.00 0.00 37.83 37.18 2kgh s LYS 32 CO 0.26 -0.80 1.65 -0.84 0.10 0.00 0.00 175.35 175.73 2kgh h ILE 33 N 2.13 0.06 0.00 3.79 3.07 -1.94 -0.78 117.51 123.84 2kgh h ILE 33 Ca -0.28 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.12 2kgh h ILE 33 Cb 1.24 0.45 -0.00 0.00 -0.27 0.00 0.00 36.82 38.25 2kgh h ILE 33 CO 0.38 0.00 -0.12 0.11 -1.05 0.00 0.00 178.15 177.47 2kgh h LYS 34 N 0.00 0.00 0.00 0.16 1.79 -1.96 -3.51 116.57 113.05 2kgh h LYS 34 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 2kgh h LYS 34 Cb 1.23 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.88 2kgh h LYS 34 CO -0.00 0.24 0.00 1.28 -1.08 0.00 0.00 179.45 179.89 2kgh n LEU 35 N -4.71 0.00 -4.65 2.94 4.77 -0.30 -5.10 117.00 109.95 2kgh n LEU 35 Ca -0.04 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.51 2kgh n LEU 35 Cb 0.16 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.23 2kgh n LEU 35 CO 0.09 0.00 1.10 0.00 -1.33 0.00 0.00 177.39 177.25 2kgh s LEU 37 N 3.82 0.92 0.12 0.00 1.43 0.68 -4.86 118.68 120.79 2kgh s LEU 37 Ca 0.55 -0.85 -0.35 0.00 -1.03 0.00 0.00 54.13 52.44 2kgh s LEU 37 Cb -0.20 -0.47 -0.16 0.00 0.03 0.00 0.00 46.19 45.39 2kgh s LEU 37 CO 0.17 -0.34 1.37 1.17 0.23 0.00 0.00 176.35 178.95 2kgh n LYS 38 N 5.13 1.38 0.00 1.70 4.81 -1.26 0.16 118.16 130.08 2kgh n LYS 38 Ca -0.08 0.50 0.16 0.00 -0.87 0.00 0.00 58.31 58.02 2kgh n LYS 38 Cb 0.47 -2.15 0.94 0.00 0.02 0.00 0.00 35.03 34.31 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08