#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 0.65 -3.28 1.39 7.35 -1.26 -5.08 117.46 117.23 2kgh n PHE 2 Ca 0.00 -2.21 -0.39 0.00 -0.76 0.00 0.00 57.45 54.09 2kgh n PHE 2 Cb 0.00 0.05 -0.08 0.00 0.35 0.00 0.00 39.48 39.80 2kgh n PHE 2 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2kgh s GLU 3 N -3.00 4.10 0.00 -4.13 2.56 -1.26 -4.70 118.70 112.27 2kgh s GLU 3 Ca 0.24 0.28 0.00 0.00 0.00 0.00 0.00 54.97 55.50 2kgh s GLU 3 Cb 0.37 -3.62 0.00 0.00 2.00 0.00 0.00 34.13 32.88 2kgh s GLU 3 CO -0.04 -0.25 0.00 0.00 -0.56 0.00 0.00 175.26 174.41 2kgh s VAL 5 N -2.62 3.70 -0.32 0.00 0.11 -1.26 -4.93 120.40 115.08 2kgh s VAL 5 Ca 0.00 -1.52 0.17 0.00 -2.93 0.00 0.00 61.98 57.69 2kgh s VAL 5 Cb 0.00 -3.16 0.47 0.00 -1.53 0.00 0.00 36.38 32.15 2kgh s VAL 5 CO 0.00 -0.26 1.02 0.33 -3.33 0.00 0.00 175.10 172.87 2kgh n PHE 6 N -1.20 1.58 1.16 1.54 7.35 -1.26 -4.61 117.46 122.02 2kgh n PHE 6 Ca -0.05 -2.64 0.12 0.00 -0.76 0.00 0.00 57.45 54.12 2kgh n PHE 6 Cb 0.59 -0.30 0.61 0.00 0.35 0.00 0.00 39.48 40.73 2kgh n PHE 6 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 2kgh n SER 7 N -0.29 0.00 -0.50 -2.13 3.41 -1.26 -4.50 113.62 108.36 2kgh n SER 7 Ca 0.15 -0.12 -0.06 0.00 -0.26 0.00 0.00 58.87 58.57 2kgh n SER 7 Cb 0.80 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 64.47 2kgh n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kgh s ASP 9 N -2.22 5.63 0.18 0.00 1.01 -1.26 -4.76 116.67 115.24 2kgh s ASP 9 Ca 0.00 2.35 0.25 0.00 0.71 0.00 0.00 52.55 55.86 2kgh s ASP 9 Cb 0.00 -2.60 0.91 0.00 1.01 0.00 0.00 42.92 42.24 2kgh s ASP 9 CO 0.00 -1.29 1.76 2.30 0.21 0.00 0.00 175.17 178.15 2kgh n ILE 10 N -1.12 0.60 0.75 0.77 -5.35 -1.26 -0.79 119.36 112.96 2kgh n ILE 10 Ca 0.11 -0.06 0.09 0.00 -0.27 0.00 0.00 62.75 62.61 2kgh n ILE 10 Cb 0.49 -0.76 0.07 0.00 -1.74 0.00 0.00 39.64 37.70 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 -2.09 1.48 0.03 6.28 5.02 -1.26 -4.52 118.16 123.10 2kgh n LYS 11 Ca 0.05 -1.57 -0.01 0.00 -2.02 0.00 0.00 58.31 54.76 2kgh n LYS 11 Cb 0.34 -1.34 -0.00 0.00 -0.02 0.00 0.00 35.03 34.01 2kgh n LYS 11 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2kgh n LYS 12 N 1.01 0.03 -0.36 1.97 5.02 -1.06 -5.02 118.16 119.75 2kgh n LYS 12 Ca 0.10 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 2kgh n LYS 12 Cb 0.45 -0.56 0.00 0.00 -0.02 0.00 0.00 35.03 34.90 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 -3.42 1.15 0.00 1.97 0.00 0.03 -4.72 120.64 115.65 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 0.17 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.61 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 0.99 0.00 8.31 0.00 -1.19 -4.27 105.19 114.04 2kgh n GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.18 -2.30 1.61 2.85 -0.56 -4.88 118.16 111.70 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 3.68 0.21 -1.58 0.04 -1.26 -1.63 135.00 132.45 2kgh s PRO 16 Ca 0.00 1.17 0.03 0.00 0.04 0.00 0.00 61.00 62.25 2kgh s PRO 16 Cb 0.00 -4.00 -0.01 0.00 0.04 0.00 0.00 34.50 30.53 2kgh s PRO 16 CO 0.00 -1.43 0.11 0.00 0.04 0.00 0.00 177.00 175.72 2kgh s LYS 18 N -2.82 2.61 -0.38 0.00 0.00 -1.26 -2.02 119.74 115.87 2kgh s LYS 18 Ca 0.16 -1.17 -0.38 0.00 0.00 0.00 0.00 55.97 54.59 2kgh s LYS 18 Cb 0.01 -3.32 -0.14 0.00 0.00 0.00 0.00 37.83 34.38 2kgh s LYS 18 CO 0.11 -0.61 2.15 -0.35 0.00 0.00 0.00 175.35 176.66 2kgh n PRO 19 N 4.74 0.80 -2.76 1.78 -0.04 -1.26 -4.52 135.00 133.74 2kgh n PRO 19 Ca -0.13 0.22 -0.43 0.00 -0.04 0.00 0.00 63.50 63.12 2kgh n PRO 19 Cb 0.45 -2.19 -0.04 0.00 -0.04 0.00 0.00 33.50 31.68 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 6.02 3.45 -0.64 0.54 2.36 -1.26 -3.77 119.74 126.43 2kgh s LYS 20 Ca 1.12 0.02 0.00 0.00 -2.55 0.00 0.00 55.97 54.55 2kgh s LYS 20 Cb -1.03 -4.00 0.00 0.00 -1.05 0.00 0.00 37.83 31.74 2kgh s LYS 20 CO 0.54 -1.46 0.00 0.41 1.55 0.00 0.00 175.35 176.39 2kgh n GLY 21 N 5.04 0.83 3.88 5.54 0.00 -1.26 -5.00 105.19 114.23 2kgh n GLY 21 Ca 0.05 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.23 3.54 0.04 1.61 0.41 -1.25 -4.96 118.70 115.87 2kgh s GLU 22 Ca 0.00 -0.11 0.23 0.00 -0.41 0.00 0.00 54.97 54.68 2kgh s GLU 22 Cb 0.00 -3.12 0.03 0.00 -1.78 0.00 0.00 34.13 29.27 2kgh s GLU 22 CO 0.00 0.69 1.02 1.63 -0.49 0.00 0.00 175.26 178.11 2kgh n LYS 23 N 1.34 0.26 -4.05 1.61 4.76 -1.26 -4.81 118.16 116.00 2kgh n LYS 23 Ca -0.13 -0.01 -0.22 0.00 -2.87 0.00 0.00 58.31 55.08 2kgh n LYS 23 Cb 0.53 -1.58 -0.04 0.00 -1.84 0.00 0.00 35.03 32.10 2kgh n LYS 23 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2kgh s LYS 24 N -3.18 2.86 -1.31 1.97 1.02 -1.26 -4.60 119.74 115.24 2kgh s LYS 24 Ca 0.04 -1.12 -0.03 0.00 0.02 0.00 0.00 55.97 54.88 2kgh s LYS 24 Cb 0.15 -2.53 0.02 0.00 -0.52 0.00 0.00 37.83 34.94 2kgh s LYS 24 CO 0.81 0.33 0.23 0.00 -0.92 0.00 0.00 175.35 175.79 2kgh s THR 26 N -2.86 4.78 0.00 0.00 2.01 -1.26 -4.51 115.64 113.80 2kgh s THR 26 Ca 0.15 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.17 2kgh s THR 26 Cb -0.08 -4.16 0.00 0.00 0.01 0.00 0.00 72.50 68.27 2kgh s THR 26 CO 0.19 -0.33 0.00 0.61 -0.69 0.00 0.00 174.62 174.40 2kgh n GLY 27 N 4.37 0.06 2.08 4.40 0.00 -1.26 -5.02 105.19 109.82 2kgh n GLY 27 Ca 0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 -1.44 3.13 -0.02 0.00 -1.26 -4.82 105.19 100.79 2kgh n GLY 28 Ca 0.00 0.42 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.53 1.49 -0.30 1.61 0.52 -0.86 -2.15 118.94 117.73 2kgh s TRP 29 Ca 0.09 -0.32 -0.19 0.00 0.02 0.00 0.00 56.10 55.69 2kgh s TRP 29 Cb -0.03 -0.97 -0.01 0.00 -1.15 0.00 0.00 33.47 31.31 2kgh s TRP 29 CO 0.34 -0.06 0.59 1.03 0.02 0.00 0.00 176.95 178.86 2kgh s ARG 30 N -0.25 3.92 0.31 4.98 0.52 0.12 -0.66 118.95 127.90 2kgh s ARG 30 Ca 0.03 0.26 -0.29 0.00 -0.52 0.00 0.00 55.73 55.22 2kgh s ARG 30 Cb -0.08 -3.71 -0.10 0.00 0.52 0.00 0.00 34.95 31.58 2kgh s ARG 30 CO 0.00 -0.52 1.16 0.00 0.02 0.00 0.00 175.30 175.96 2kgh n LYS 32 N 0.95 0.75 -0.53 0.00 3.00 -0.40 -1.49 118.16 120.44 2kgh n LYS 32 Ca -0.00 -2.22 0.43 0.00 -0.00 0.00 0.00 58.31 56.52 2kgh n LYS 32 Cb 0.44 2.35 0.69 0.00 0.00 0.00 0.00 35.03 38.51 2kgh n LYS 32 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 2kgh n ILE 33 N -0.48 -0.14 -0.10 3.15 -5.35 -1.26 -0.92 119.36 114.26 2kgh n ILE 33 Ca -0.03 1.56 -0.18 0.00 -0.27 0.00 0.00 62.75 63.83 2kgh n ILE 33 Cb 0.51 -2.56 -0.08 0.00 -1.74 0.00 0.00 39.64 35.76 2kgh n ILE 33 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 2kgh n LYS 34 N -4.24 0.54 -3.18 6.28 4.76 -1.26 -5.10 118.16 115.96 2kgh n LYS 34 Ca 0.39 0.53 0.00 0.00 -2.87 0.00 0.00 58.31 56.36 2kgh n LYS 34 Cb 1.64 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 33.13 2kgh n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2kgh n LEU 35 N -4.47 0.00 -4.72 -0.35 4.77 -0.10 -5.14 117.00 106.99 2kgh n LEU 35 Ca -0.27 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.29 2kgh n LEU 35 Cb 0.58 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2kgh n LEU 35 CO 0.15 0.00 1.26 0.00 -1.33 0.00 0.00 177.39 177.47 2kgh s LEU 37 N 0.97 0.52 0.18 0.00 2.96 0.16 -4.89 118.68 118.57 2kgh s LEU 37 Ca 0.70 -0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 53.72 2kgh s LEU 37 Cb -0.45 -0.32 -0.17 0.00 0.50 0.00 0.00 46.19 45.75 2kgh s LEU 37 CO 0.33 -0.33 0.66 1.17 -1.32 0.00 0.00 176.35 176.87 2kgh n LYS 38 N 5.23 0.16 0.00 1.98 4.81 -1.26 0.14 118.16 129.21 2kgh n LYS 38 Ca -0.07 0.06 0.07 0.00 -0.87 0.00 0.00 58.31 57.49 2kgh n LYS 38 Cb 0.49 -1.18 0.05 0.00 0.02 0.00 0.00 35.03 34.41 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08