#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 3.00 -4.25 1.39 -0.00 -1.26 -4.98 117.46 111.36 2kgh n PHE 2 Ca 0.00 -2.69 -0.34 0.00 -0.00 0.00 0.00 57.45 54.42 2kgh n PHE 2 Cb 0.00 -1.07 -0.08 0.00 -0.00 0.00 0.00 39.48 38.33 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 -4.14 2.96 0.02 -4.13 2.02 -1.26 -4.75 118.70 109.41 2kgh s GLU 3 Ca 0.44 -0.48 -0.22 0.00 0.02 0.00 0.00 54.97 54.73 2kgh s GLU 3 Cb 0.27 -2.79 0.07 0.00 0.10 0.00 0.00 34.13 31.78 2kgh s GLU 3 CO -0.20 0.67 0.99 0.00 0.02 0.00 0.00 175.26 176.74 2kgh s VAL 5 N -2.07 2.29 -1.28 0.00 1.01 -1.26 -4.96 120.40 114.13 2kgh s VAL 5 Ca 0.23 -2.11 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 2kgh s VAL 5 Cb -0.01 -2.58 0.15 0.00 0.00 0.00 0.00 36.38 33.94 2kgh s VAL 5 CO 0.01 -0.42 2.16 0.33 0.00 0.00 0.00 175.10 177.17 2kgh n PHE 6 N 4.32 2.68 1.24 5.22 -0.00 -1.26 -3.69 117.46 125.97 2kgh n PHE 6 Ca -0.02 -2.79 0.13 0.00 -0.00 0.00 0.00 57.45 54.78 2kgh n PHE 6 Cb 0.42 -1.81 0.43 0.00 -0.00 0.00 0.00 39.48 38.52 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 2.27 0.75 0.00 -2.13 7.64 -1.26 -4.49 113.62 116.39 2kgh n SER 7 Ca 0.53 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2kgh n SER 7 Cb 0.29 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 63.56 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 -2.02 6.28 0.16 0.00 1.01 -1.26 -4.74 116.67 116.09 2kgh s ASP 9 Ca 0.00 2.50 0.24 0.00 0.71 0.00 0.00 52.55 56.00 2kgh s ASP 9 Cb 0.00 -2.62 0.92 0.00 1.01 0.00 0.00 42.92 42.22 2kgh s ASP 9 CO 0.00 -0.86 1.75 0.00 0.21 0.00 0.00 175.17 176.27 2kgh n ILE 10 N -0.08 0.61 0.07 0.77 3.06 -1.26 0.89 119.36 123.41 2kgh n ILE 10 Ca 0.05 -0.01 0.05 0.00 -2.50 0.00 0.00 62.75 60.34 2kgh n ILE 10 Cb 0.45 -0.79 -0.04 0.00 0.54 0.00 0.00 39.64 39.80 2kgh n ILE 10 CO 0.00 0.00 0.00 0.50 -2.50 0.00 0.00 176.55 174.55 2kgh h LYS 11 N 0.00 0.00 0.00 9.51 1.63 -1.98 -3.41 116.57 122.32 2kgh h LYS 11 Ca 0.00 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.47 2kgh h LYS 11 Cb 0.52 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.10 2kgh h LYS 11 CO 0.00 0.17 -2.04 1.63 -3.45 0.00 0.00 179.45 175.76 2kgh n LYS 12 N -2.82 0.57 -0.46 1.90 4.76 -0.86 -5.01 118.16 116.24 2kgh n LYS 12 Ca -0.05 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.67 2kgh n LYS 12 Cb 0.71 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 2kgh n LYS 12 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2kgh n GLU 13 N -4.32 2.69 0.00 1.97 -0.58 0.26 -4.44 120.64 116.22 2kgh n GLU 13 Ca -0.42 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.32 2kgh n GLU 13 Cb 0.77 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.64 2kgh n GLU 13 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kgh n GLY 14 N 5.00 0.64 0.00 0.62 0.00 -1.24 -4.17 105.19 106.04 2kgh n GLY 14 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -0.43 -2.30 1.61 2.85 -0.50 -4.87 118.16 114.52 2kgh n LYS 15 Ca 0.00 0.00 -0.38 0.00 -1.05 0.00 0.00 58.31 56.88 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 -2.14 -0.05 0.00 0.00 177.40 175.21 2kgh s PRO 16 N -2.00 2.95 0.00 -1.58 0.02 -1.26 -1.10 135.00 132.03 2kgh s PRO 16 Ca 0.00 -0.07 0.00 0.00 0.02 0.00 0.00 61.00 60.95 2kgh s PRO 16 Cb 0.00 -4.54 0.00 0.00 0.02 0.00 0.00 34.50 29.98 2kgh s PRO 16 CO 0.00 -2.54 0.00 0.00 -0.33 0.00 0.00 177.00 174.13 2kgh s LYS 18 N 1.97 1.32 -0.31 0.00 0.00 -1.26 -2.32 119.74 119.14 2kgh s LYS 18 Ca 0.00 -1.75 -0.38 0.00 0.00 0.00 0.00 55.97 53.85 2kgh s LYS 18 Cb 0.00 -2.87 -0.13 0.00 0.00 0.00 0.00 37.83 34.83 2kgh s LYS 18 CO 0.00 -0.98 1.99 -2.30 0.00 0.00 0.00 175.35 174.07 2kgh n PRO 19 N 4.27 1.14 -3.77 1.78 -0.02 -1.26 -4.60 135.00 132.53 2kgh n PRO 19 Ca 0.03 0.37 -0.37 0.00 -2.02 0.00 0.00 63.50 61.51 2kgh n PRO 19 Cb 0.41 -2.28 -0.12 0.00 -0.02 0.00 0.00 33.50 31.49 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 5.02 2.49 0.00 -0.52 2.20 -1.26 -4.33 119.74 123.34 2kgh s LYS 20 Ca 1.05 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.33 2kgh s LYS 20 Cb -0.97 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 31.90 2kgh s LYS 20 CO 0.57 -0.75 0.00 0.41 -0.36 0.00 0.00 175.35 175.22 2kgh n GLY 21 N 4.75 0.55 3.85 5.54 0.00 -1.26 -4.98 105.19 113.65 2kgh n GLY 21 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.67 3.90 -0.07 1.61 0.41 -1.26 -4.98 118.70 117.64 2kgh s GLU 22 Ca 0.00 0.38 0.08 0.00 -0.41 0.00 0.00 54.97 55.03 2kgh s GLU 22 Cb 0.00 -2.92 -0.12 0.00 -1.78 0.00 0.00 34.13 29.31 2kgh s GLU 22 CO 0.00 0.48 0.08 1.17 -0.49 0.00 0.00 175.26 176.50 2kgh n LYS 23 N 0.72 1.95 0.06 1.61 3.00 -1.26 -4.57 118.16 119.66 2kgh n LYS 23 Ca -0.05 -0.03 -0.19 0.00 -0.00 0.00 0.00 58.31 58.04 2kgh n LYS 23 Cb 0.52 -1.23 -0.14 0.00 0.00 0.00 0.00 35.03 34.18 2kgh n LYS 23 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kgh h LYS 24 N 0.00 0.30 -5.82 1.64 3.64 -2.01 -3.45 116.57 110.87 2kgh h LYS 24 Ca -0.18 -0.51 -0.58 0.00 -1.27 0.00 0.00 60.65 58.12 2kgh h LYS 24 Cb 1.26 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 33.19 2kgh h LYS 24 CO 0.01 1.18 0.02 0.00 -2.27 0.00 0.00 179.45 178.38 2kgh n THR 26 N 4.01 0.00 -1.98 0.00 -2.24 -1.26 -4.66 114.28 108.15 2kgh n THR 26 Ca -0.03 -2.09 -0.42 0.00 -2.27 0.00 0.00 64.05 59.24 2kgh n THR 26 Cb 0.51 0.19 -0.03 0.00 -2.10 0.00 0.00 70.33 68.91 2kgh n THR 26 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2kgh s GLY 27 N -3.77 1.99 0.00 3.38 0.00 -1.26 -3.18 107.32 104.48 2kgh s GLY 27 Ca 0.14 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.20 2kgh s GLY 27 CO 0.09 2.43 0.00 0.61 0.00 0.00 0.00 173.10 176.23 2kgh n GLY 28 N 2.89 1.89 3.26 0.20 0.00 -0.98 -5.03 105.19 107.42 2kgh n GLY 28 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 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 2.65 -0.13 1.61 0.52 -1.04 -1.54 118.94 119.01 2kgh s TRP 29 Ca 0.00 -0.96 -0.26 0.00 0.02 0.00 0.00 56.10 54.90 2kgh s TRP 29 Cb 0.00 -1.77 -0.02 0.00 -1.15 0.00 0.00 33.47 30.53 2kgh s TRP 29 CO 0.00 -0.38 0.83 1.03 0.02 0.00 0.00 176.95 178.45 2kgh s ARG 30 N 0.42 4.35 -0.13 4.98 0.52 0.14 -1.19 118.95 128.04 2kgh s ARG 30 Ca -0.15 1.05 -0.29 0.00 -0.52 0.00 0.00 55.73 55.82 2kgh s ARG 30 Cb -0.17 -3.54 -0.01 0.00 0.52 0.00 0.00 34.95 31.74 2kgh s ARG 30 CO 0.07 -0.24 1.12 0.00 0.02 0.00 0.00 175.30 176.27 2kgh s LYS 32 N 2.59 1.38 -0.64 0.00 2.20 -0.74 -1.42 119.74 123.12 2kgh s LYS 32 Ca 0.51 -1.74 -0.26 0.00 -0.36 0.00 0.00 55.97 54.12 2kgh s LYS 32 Cb -0.20 -0.20 -0.23 0.00 -1.51 0.00 0.00 37.83 35.69 2kgh s LYS 32 CO 0.16 -0.30 1.85 -0.89 -0.36 0.00 0.00 175.35 175.80 2kgh n ILE 33 N -0.44 0.96 0.08 5.43 5.41 -1.26 -1.77 119.36 127.77 2kgh n ILE 33 Ca 0.00 -0.90 0.00 0.00 1.00 0.00 0.00 62.75 62.85 2kgh n ILE 33 Cb 0.66 -2.14 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 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 7.74 0.00 -3.33 0.38 4.76 -1.26 -5.15 118.16 121.30 2kgh n LYS 34 Ca 0.47 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.91 2kgh n LYS 34 Cb 0.43 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.62 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 -2.76 0.00 -4.77 -0.35 4.77 -0.73 -5.14 117.00 108.02 2kgh n LEU 35 Ca 0.00 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.58 2kgh n LEU 35 Cb 0.00 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.06 2kgh n LEU 35 CO 0.00 0.00 0.87 0.00 -1.33 0.00 0.00 177.39 176.93 2kgh s LEU 37 N -1.97 -0.07 0.29 0.00 2.96 0.15 -4.91 118.68 115.14 2kgh s LEU 37 Ca 0.51 -0.13 -0.29 0.00 -0.22 0.00 0.00 54.13 53.99 2kgh s LEU 37 Cb -0.34 0.32 -0.13 0.00 0.50 0.00 0.00 46.19 46.54 2kgh s LEU 37 CO 0.44 -0.31 1.25 1.17 -1.32 0.00 0.00 176.35 177.58 2kgh n LYS 38 N 5.32 1.86 0.00 1.98 4.81 -1.26 0.25 118.16 131.12 2kgh n LYS 38 Ca -0.06 0.66 0.07 0.00 -0.87 0.00 0.00 58.31 58.11 2kgh n LYS 38 Cb 0.50 -2.21 0.06 0.00 0.02 0.00 0.00 35.03 33.39 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08