#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 2.93 -3.94 1.39 -0.00 -1.26 -4.92 117.46 111.66 2kgh n PHE 2 Ca 0.00 -2.97 -0.10 0.00 -0.00 0.00 0.00 57.45 54.38 2kgh n PHE 2 Cb 0.00 -1.03 -0.11 0.00 -0.00 0.00 0.00 39.48 38.35 2kgh n PHE 2 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 2kgh s GLU 3 N -3.57 0.35 0.00 -4.13 2.02 -1.26 -4.85 118.70 107.26 2kgh s GLU 3 Ca 0.39 -0.51 0.00 0.00 0.02 0.00 0.00 54.97 54.87 2kgh s GLU 3 Cb 0.16 0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.52 2kgh s GLU 3 CO -0.05 -0.07 0.00 0.00 0.02 0.00 0.00 175.26 175.16 2kgh n VAL 5 N 0.00 0.00 -2.47 0.00 0.31 -1.26 -5.08 118.33 109.83 2kgh n VAL 5 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2kgh n VAL 5 Cb 0.00 -0.14 0.02 0.00 -0.91 0.00 0.00 33.84 32.81 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 -3.43 -1.59 -0.13 3.52 -0.00 -1.26 -4.95 117.46 109.61 2kgh n PHE 6 Ca 0.00 0.58 0.11 0.00 -0.00 0.00 0.00 57.45 58.14 2kgh n PHE 6 Cb 0.00 -3.26 0.27 0.00 -0.00 0.00 0.00 39.48 36.49 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 -2.01 3.68 0.00 -2.13 7.64 -1.26 -4.74 113.62 114.80 2kgh n SER 7 Ca -0.02 -1.99 0.00 0.00 1.01 0.00 0.00 58.87 57.87 2kgh n SER 7 Cb 0.54 -0.38 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 -2.03 6.22 0.00 0.00 1.01 -1.26 -4.78 116.67 115.83 2kgh s ASP 9 Ca 0.00 2.75 0.26 0.00 0.71 0.00 0.00 52.55 56.28 2kgh s ASP 9 Cb 0.00 -2.64 1.38 0.00 1.01 0.00 0.00 42.92 42.66 2kgh s ASP 9 CO 0.00 -0.92 1.90 2.30 0.21 0.00 0.00 175.17 178.66 2kgh n ILE 10 N 0.10 0.13 -0.02 0.77 -5.35 -1.26 0.14 119.36 113.88 2kgh n ILE 10 Ca 0.04 0.03 -0.02 0.00 -0.27 0.00 0.00 62.75 62.53 2kgh n ILE 10 Cb 0.43 -0.60 -0.12 0.00 -1.74 0.00 0.00 39.64 37.60 2kgh n ILE 10 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kgh n LYS 11 N -1.23 0.65 -0.08 6.28 4.76 -1.26 -4.57 118.16 122.72 2kgh n LYS 11 Ca 0.14 0.10 -0.08 0.00 -2.87 0.00 0.00 58.31 55.60 2kgh n LYS 11 Cb 0.18 -1.68 -0.03 0.00 -1.84 0.00 0.00 35.03 31.67 2kgh n LYS 11 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2kgh n LYS 12 N -2.77 0.46 -0.21 1.97 5.02 -0.88 -4.99 118.16 116.76 2kgh n LYS 12 Ca -0.16 0.18 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 2kgh n LYS 12 Cb 0.92 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.62 2kgh n LYS 12 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2kgh n GLU 13 N -4.21 1.31 0.00 1.97 0.00 0.12 -4.80 120.64 115.03 2kgh n GLU 13 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.04 2kgh n GLU 13 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.89 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 5.00 0.76 0.00 8.31 0.00 -1.17 -4.15 105.19 113.94 2kgh n GLY 14 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.35 -2.56 1.61 2.85 -0.71 -4.90 118.16 112.10 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 -1.25 -0.05 0.00 0.00 177.40 176.10 2kgh s PRO 16 N -2.00 3.71 0.00 -1.58 0.04 -1.26 -1.73 135.00 132.18 2kgh s PRO 16 Ca 0.00 0.66 0.00 0.00 0.04 0.00 0.00 61.00 61.70 2kgh s PRO 16 Cb 0.00 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.62 2kgh s PRO 16 CO 0.00 -1.40 0.00 0.00 0.04 0.00 0.00 177.00 175.64 2kgh s LYS 18 N 2.22 1.08 0.74 0.00 0.00 -1.26 -2.48 119.74 120.04 2kgh s LYS 18 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 55.97 54.89 2kgh s LYS 18 Cb 0.00 -2.33 -0.00 0.00 0.00 0.00 0.00 37.83 35.50 2kgh s LYS 18 CO 0.00 -0.75 0.80 -2.30 0.00 0.00 0.00 175.35 173.10 2kgh n PRO 19 N 4.80 0.35 -0.07 1.78 -0.02 -1.26 -4.81 135.00 135.76 2kgh n PRO 19 Ca -0.07 0.17 -0.06 0.00 -2.02 0.00 0.00 63.50 61.52 2kgh n PRO 19 Cb 0.44 -2.08 -0.02 0.00 -0.02 0.00 0.00 33.50 31.82 2kgh n PRO 19 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kgh n LYS 20 N -1.59 0.45 -2.94 -0.52 4.76 -1.26 -4.86 118.16 112.20 2kgh n LYS 20 Ca 0.12 0.37 -0.13 0.00 -2.87 0.00 0.00 58.31 55.80 2kgh n LYS 20 Cb 0.50 -1.51 0.03 0.00 -1.84 0.00 0.00 35.03 32.21 2kgh n LYS 20 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kgh n GLY 21 N 1.55 1.93 0.23 0.72 0.00 -1.26 -5.12 105.19 103.25 2kgh n GLY 21 Ca -0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 46.02 45.16 2kgh n GLY 21 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgh n GLU 22 N 0.42 0.49 -2.15 1.61 -0.58 -1.26 -4.95 120.64 114.21 2kgh n GLU 22 Ca 0.15 -0.16 -0.42 0.00 -0.42 0.00 0.00 57.16 56.31 2kgh n GLU 22 Cb 0.67 -0.05 0.00 0.00 -0.57 0.00 0.00 31.44 31.50 2kgh n GLU 22 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kgh n LYS 23 N -1.12 3.26 -1.33 3.49 4.81 -1.26 -4.37 118.16 121.64 2kgh n LYS 23 Ca 0.01 -3.15 -0.11 0.00 -0.87 0.00 0.00 58.31 54.18 2kgh n LYS 23 Cb 0.04 -3.13 -0.05 0.00 0.02 0.00 0.00 35.03 31.91 2kgh n LYS 23 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgh n LYS 24 N 5.25 -0.90 -2.42 1.64 4.01 -1.26 -4.98 118.16 119.50 2kgh n LYS 24 Ca 0.45 0.89 -0.41 0.00 -0.51 0.00 0.00 58.31 58.73 2kgh n LYS 24 Cb 0.39 -4.91 -0.04 0.00 -0.51 0.00 0.00 35.03 29.96 2kgh n LYS 24 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2kgh s THR 26 N -0.22 -0.25 -0.12 0.00 -1.32 -1.26 -4.63 115.64 107.84 2kgh s THR 26 Ca 0.51 0.09 -0.03 0.00 -1.21 0.00 0.00 61.69 61.05 2kgh s THR 26 Cb -0.32 -0.73 0.01 0.00 -1.51 0.00 0.00 72.50 69.95 2kgh s THR 26 CO 0.37 0.04 0.06 0.61 -2.21 0.00 0.00 174.62 173.49 2kgh n GLY 27 N 4.65 -2.34 0.00 6.08 0.00 -1.26 -4.63 105.19 107.68 2kgh n GLY 27 Ca -0.18 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.41 2kgh n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgh n GLY 28 N 1.60 1.96 3.37 -0.02 0.00 -1.08 -5.00 105.19 106.02 2kgh n GLY 28 Ca -0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 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 2.83 -0.15 1.61 0.52 -1.03 -0.57 118.94 120.14 2kgh s TRP 29 Ca 0.00 -0.64 -0.20 0.00 0.02 0.00 0.00 56.10 55.27 2kgh s TRP 29 Cb 0.00 -1.86 -0.03 0.00 -1.15 0.00 0.00 33.47 30.43 2kgh s TRP 29 CO 0.00 -0.22 0.60 1.03 0.02 0.00 0.00 176.95 178.38 2kgh s ARG 30 N 0.39 4.28 -0.22 4.98 0.52 0.11 -0.79 118.95 128.22 2kgh s ARG 30 Ca -0.10 0.61 -0.29 0.00 -0.52 0.00 0.00 55.73 55.43 2kgh s ARG 30 Cb -0.16 -3.52 -0.01 0.00 0.52 0.00 0.00 34.95 31.79 2kgh s ARG 30 CO 0.05 -0.08 1.26 0.00 0.02 0.00 0.00 175.30 176.55 2kgh s LYS 32 N 3.72 0.60 0.41 0.00 -0.14 -0.95 -1.74 119.74 121.65 2kgh s LYS 32 Ca 0.54 -1.17 0.21 0.00 -1.36 0.00 0.00 55.97 54.19 2kgh s LYS 32 Cb -0.19 0.16 1.18 0.00 -1.68 0.00 0.00 37.83 37.30 2kgh s LYS 32 CO 0.17 -0.09 1.75 0.82 -0.76 0.00 0.00 175.35 177.24 2kgh h ILE 33 N 3.27 0.45 0.02 2.17 2.04 -1.95 -0.75 117.51 122.77 2kgh h ILE 33 Ca -0.34 -0.11 -0.00 0.00 1.00 0.00 0.00 64.86 65.41 2kgh h ILE 33 Cb 1.15 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2kgh h ILE 33 CO 0.64 0.06 -0.01 0.11 0.00 0.00 0.00 178.15 178.94 2kgh h LYS 34 N 0.32 -0.03 -2.51 2.37 1.57 -1.97 -3.49 116.57 112.82 2kgh h LYS 34 Ca 0.63 0.00 0.19 0.00 -1.87 0.00 0.00 60.65 59.59 2kgh h LYS 34 Cb 1.72 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 34.00 2kgh h LYS 34 CO -0.30 -0.02 0.64 -0.51 -0.57 0.00 0.00 179.45 178.69 2kgh s LEU 35 N -4.18 0.02 -0.33 2.94 2.01 -0.29 -5.10 118.68 113.74 2kgh s LEU 35 Ca -0.00 -0.63 -0.29 0.00 0.01 0.00 0.00 54.13 53.22 2kgh s LEU 35 Cb 0.00 1.97 -0.00 0.00 0.01 0.00 0.00 46.19 48.17 2kgh s LEU 35 CO 0.01 -0.90 1.47 0.00 1.01 0.00 0.00 176.35 177.94 2kgh s LEU 37 N 5.26 1.08 0.14 0.00 2.96 0.90 -4.86 118.68 124.17 2kgh s LEU 37 Ca 0.64 -0.38 -0.33 0.00 -0.22 0.00 0.00 54.13 53.83 2kgh s LEU 37 Cb -0.18 -0.69 -0.17 0.00 0.50 0.00 0.00 46.19 45.66 2kgh s LEU 37 CO 0.29 -0.18 1.00 1.17 -1.32 0.00 0.00 176.35 177.31 2kgh n LYS 38 N 5.01 0.65 0.00 1.98 4.81 -1.26 0.07 118.16 129.43 2kgh n LYS 38 Ca -0.10 0.23 0.15 0.00 -0.87 0.00 0.00 58.31 57.72 2kgh n LYS 38 Cb 0.49 -1.62 0.73 0.00 0.02 0.00 0.00 35.03 34.65 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08