#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 -2.79 4.28 7.35 -1.26 -5.13 117.46 119.91 2kgh n PHE 2 Ca 0.00 0.00 -0.33 0.00 -0.76 0.00 0.00 57.45 56.36 2kgh n PHE 2 Cb 0.00 0.14 -0.06 0.00 0.35 0.00 0.00 39.48 39.92 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 0.00 4.09 0.00 -4.13 -6.30 -1.26 -4.53 118.70 106.57 2kgh s GLU 3 Ca 0.00 0.95 0.00 0.00 -2.50 0.00 0.00 54.97 53.42 2kgh s GLU 3 Cb 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 34.13 31.90 2kgh s GLU 3 CO 0.00 -0.05 0.00 0.00 0.02 0.00 0.00 175.26 175.23 2kgh s VAL 5 N 2.29 -0.76 -1.27 0.00 1.01 -1.26 -5.06 120.40 115.35 2kgh s VAL 5 Ca 0.00 -0.20 -0.06 0.00 0.00 0.00 0.00 61.98 61.72 2kgh s VAL 5 Cb 0.00 -0.97 0.16 0.00 0.00 0.00 0.00 36.38 35.57 2kgh s VAL 5 CO 0.00 -0.19 2.18 0.33 0.00 0.00 0.00 175.10 177.42 2kgh n PHE 6 N 5.34 2.66 1.40 5.22 -0.00 -1.26 -3.36 117.46 127.46 2kgh n PHE 6 Ca 0.02 -2.77 0.14 0.00 -0.00 0.00 0.00 57.45 54.84 2kgh n PHE 6 Cb 0.51 -1.75 0.52 0.00 -0.00 0.00 0.00 39.48 38.76 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 1.91 0.88 0.00 -2.13 7.64 -1.26 -4.40 113.62 116.27 2kgh n SER 7 Ca 0.54 -0.93 0.00 0.00 1.01 0.00 0.00 58.87 59.50 2kgh n SER 7 Cb 0.27 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 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 6.04 0.02 0.00 1.11 -1.26 -4.73 116.67 115.82 2kgh s ASP 9 Ca 0.00 2.58 0.23 0.00 0.18 0.00 0.00 52.55 55.53 2kgh s ASP 9 Cb 0.00 -2.63 0.97 0.00 1.07 0.00 0.00 42.92 42.33 2kgh s ASP 9 CO 0.00 -1.03 1.73 0.00 1.18 0.00 0.00 175.17 177.05 2kgh n ILE 10 N -0.30 0.45 0.03 0.77 3.06 -1.26 0.40 119.36 122.50 2kgh n ILE 10 Ca 0.06 0.10 -0.16 0.00 -2.50 0.00 0.00 62.75 60.25 2kgh n ILE 10 Cb 0.45 -0.72 -0.14 0.00 0.54 0.00 0.00 39.64 39.77 2kgh n ILE 10 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 2kgh h LYS 11 N 0.00 0.19 0.00 9.51 1.57 -1.97 -3.42 116.57 122.45 2kgh h LYS 11 Ca 0.00 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2kgh h LYS 11 Cb 0.40 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2kgh h LYS 11 CO 0.00 0.98 -0.37 1.63 -0.57 0.00 0.00 179.45 181.12 2kgh n LYS 12 N -3.36 0.31 0.00 3.15 4.76 -0.95 -4.97 118.16 117.10 2kgh n LYS 12 Ca -0.20 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.65 2kgh n LYS 12 Cb 1.04 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.88 2kgh n LYS 12 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 2kgh n GLU 13 N -3.84 2.34 0.00 1.97 0.00 0.16 -4.64 120.64 116.64 2kgh n GLU 13 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.11 2kgh n GLU 13 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.63 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 0.65 0.00 8.31 0.00 -1.20 -4.28 105.19 113.68 2kgh n GLY 14 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.90 -2.42 1.61 0.00 -0.31 -4.90 118.16 110.24 2kgh n LYS 15 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.89 2kgh n LYS 15 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 35.03 35.00 2kgh n LYS 15 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2kgh s PRO 16 N -2.00 3.35 0.00 -1.58 0.02 -1.26 -1.39 135.00 132.13 2kgh s PRO 16 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 61.00 61.47 2kgh s PRO 16 Cb 0.00 -4.10 0.00 0.00 0.02 0.00 0.00 34.50 30.42 2kgh s PRO 16 CO 0.00 -1.88 0.00 0.00 -0.33 0.00 0.00 177.00 174.79 2kgh s LYS 18 N 2.20 1.11 -0.29 0.00 0.00 -1.26 -0.97 119.74 120.54 2kgh s LYS 18 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 55.97 55.34 2kgh s LYS 18 Cb 0.00 -1.76 -0.07 0.00 0.00 0.00 0.00 37.83 36.00 2kgh s LYS 18 CO 0.00 -0.43 2.24 -0.35 0.00 0.00 0.00 175.35 176.82 2kgh n PRO 19 N 4.98 1.61 -3.45 1.78 -0.04 -1.26 -4.68 135.00 133.94 2kgh n PRO 19 Ca -0.10 0.41 -0.42 0.00 -0.04 0.00 0.00 63.50 63.34 2kgh n PRO 19 Cb 0.48 -3.04 -0.10 0.00 -0.04 0.00 0.00 33.50 30.81 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 6.55 3.11 0.00 0.54 2.36 -1.26 -4.27 119.74 126.77 2kgh s LYS 20 Ca 1.03 -0.89 0.00 0.00 -2.55 0.00 0.00 55.97 53.57 2kgh s LYS 20 Cb -0.47 -3.94 0.00 0.00 -1.05 0.00 0.00 37.83 32.37 2kgh s LYS 20 CO 0.38 -0.70 0.00 0.41 1.55 0.00 0.00 175.35 176.99 2kgh n GLY 21 N 5.13 1.83 3.51 5.54 0.00 -1.26 -4.94 105.19 115.01 2kgh n GLY 21 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -0.60 3.30 0.18 1.61 2.56 -1.26 -4.91 118.70 119.58 2kgh s GLU 22 Ca 0.00 -0.64 0.26 0.00 0.00 0.00 0.00 54.97 54.59 2kgh s GLU 22 Cb 0.00 -3.89 0.67 0.00 2.00 0.00 0.00 34.13 32.91 2kgh s GLU 22 CO 0.00 -0.68 1.64 1.17 -0.56 0.00 0.00 175.26 176.83 2kgh n LYS 23 N 5.44 0.27 0.16 4.30 3.00 -1.26 -3.56 118.16 126.51 2kgh n LYS 23 Ca -0.09 0.18 0.13 0.00 -0.00 0.00 0.00 58.31 58.53 2kgh n LYS 23 Cb 0.48 -1.77 0.32 0.00 0.00 0.00 0.00 35.03 34.06 2kgh n LYS 23 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2kgh h LYS 24 N 0.00 0.00 -6.11 1.64 1.79 -1.99 -3.42 116.57 108.47 2kgh h LYS 24 Ca 0.00 0.00 -0.68 0.00 -2.18 0.00 0.00 60.65 57.79 2kgh h LYS 24 Cb 0.74 0.00 -0.18 0.00 -1.58 0.00 0.00 32.23 31.21 2kgh h LYS 24 CO 0.00 0.00 -0.68 0.00 -1.08 0.00 0.00 179.45 177.69 2kgh n THR 26 N 2.21 0.00 0.00 0.00 -1.04 -1.26 -4.82 114.28 109.37 2kgh n THR 26 Ca -0.18 0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2kgh n THR 26 Cb 0.53 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.90 2kgh n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kgh n GLY 27 N 2.02 1.20 3.56 3.41 0.00 -1.26 -4.76 105.19 109.36 2kgh n GLY 27 Ca 0.00 -0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.32 0.86 -0.08 -0.02 0.00 -1.26 -4.11 107.32 102.39 2kgh s GLY 28 Ca 0.00 -2.00 0.03 0.00 0.00 0.00 0.00 44.72 42.75 2kgh s GLY 28 CO 0.00 2.99 -0.16 -0.98 0.00 0.00 0.00 173.10 174.95 2kgh s TRP 29 N 6.88 1.82 -0.27 1.90 0.52 -0.14 -0.60 118.94 129.05 2kgh s TRP 29 Ca 0.55 -0.73 -0.23 0.00 0.02 0.00 0.00 56.10 55.71 2kgh s TRP 29 Cb -0.02 -1.29 -0.01 0.00 -1.15 0.00 0.00 33.47 31.00 2kgh s TRP 29 CO -0.06 -0.35 0.75 1.03 0.02 0.00 0.00 176.95 178.34 2kgh s ARG 30 N 0.64 4.07 -0.20 4.98 0.52 0.14 -1.68 118.95 127.41 2kgh s ARG 30 Ca -0.14 0.68 -0.29 0.00 -0.52 0.00 0.00 55.73 55.45 2kgh s ARG 30 Cb -0.16 -3.68 -0.01 0.00 0.52 0.00 0.00 34.95 31.62 2kgh s ARG 30 CO 0.04 -0.54 1.31 0.00 0.02 0.00 0.00 175.30 176.13 2kgh s LYS 32 N 3.79 1.51 -1.04 0.00 -0.14 0.38 -1.16 119.74 123.09 2kgh s LYS 32 Ca 0.57 -1.84 -0.16 0.00 -1.36 0.00 0.00 55.97 53.18 2kgh s LYS 32 Cb -0.21 -0.36 -0.08 0.00 -1.68 0.00 0.00 37.83 35.50 2kgh s LYS 32 CO 0.19 -0.31 2.11 1.51 -0.76 0.00 0.00 175.35 178.08 2kgh n ILE 33 N -0.55 2.53 0.02 2.17 3.06 -1.26 -1.66 119.36 123.67 2kgh n ILE 33 Ca -0.01 -2.01 0.00 0.00 -2.50 0.00 0.00 62.75 58.24 2kgh n ILE 33 Cb 0.66 -2.39 0.00 0.00 0.54 0.00 0.00 39.64 38.45 2kgh n ILE 33 CO 0.00 0.00 0.00 1.17 -2.50 0.00 0.00 176.55 175.22 2kgh n LYS 34 N 6.05 0.00 -3.14 9.51 3.00 -1.26 -5.15 118.16 127.17 2kgh n LYS 34 Ca 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.82 2kgh n LYS 34 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.37 2kgh n LYS 34 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kgh n LEU 35 N -2.36 0.00 -4.56 3.14 -0.00 -0.66 -5.10 117.00 107.46 2kgh n LEU 35 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.58 2kgh n LEU 35 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2kgh n LEU 35 CO 0.00 0.00 0.60 0.00 -0.00 0.00 0.00 177.39 177.99 2kgh s LEU 37 N 3.32 2.15 0.16 0.00 2.96 0.11 -4.85 118.68 122.53 2kgh s LEU 37 Ca 0.32 -0.69 -0.32 0.00 -0.22 0.00 0.00 54.13 53.22 2kgh s LEU 37 Cb -0.12 -1.41 -0.17 0.00 0.50 0.00 0.00 46.19 44.99 2kgh s LEU 37 CO 0.22 -0.04 0.84 2.29 -1.32 0.00 0.00 176.35 178.34 2kgh n LYS 38 N 4.64 0.41 0.00 1.98 0.00 -1.26 0.25 118.16 124.18 2kgh n LYS 38 Ca -0.19 0.14 0.15 0.00 -0.00 0.00 0.00 58.31 58.41 2kgh n LYS 38 Cb 0.49 -1.41 0.73 0.00 -0.00 0.00 0.00 35.03 34.84 2kgh n LYS 38 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91