#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgh s PHE 2 N 0.00 2.10 -0.24 4.28 5.36 -1.26 -4.95 117.98 123.27 2kgh s PHE 2 Ca 0.00 0.17 -0.08 0.00 -0.96 0.00 0.00 56.93 56.07 2kgh s PHE 2 Cb 0.00 -4.47 -0.03 0.00 -0.34 0.00 0.00 43.02 38.18 2kgh s PHE 2 CO 0.00 -2.14 0.08 -2.00 -1.46 0.00 0.00 175.22 169.70 2kgh s GLU 3 N 6.11 3.71 0.30 10.12 2.12 -1.26 -4.95 118.70 134.85 2kgh s GLU 3 Ca 0.45 -0.45 -0.01 0.00 0.36 0.00 0.00 54.97 55.32 2kgh s GLU 3 Cb -0.09 -3.33 0.00 0.00 0.26 0.00 0.00 34.13 30.97 2kgh s GLU 3 CO 0.15 -0.13 0.40 0.00 -0.54 0.00 0.00 175.26 175.15 2kgh s VAL 5 N -2.80 1.33 -1.24 0.00 1.01 -1.26 -4.99 120.40 112.44 2kgh s VAL 5 Ca 0.26 -1.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.05 2kgh s VAL 5 Cb -0.01 -1.67 0.18 0.00 0.00 0.00 0.00 36.38 34.88 2kgh s VAL 5 CO 0.19 -0.16 2.12 0.33 0.00 0.00 0.00 175.10 177.57 2kgh n PHE 6 N 4.74 2.66 1.22 5.22 7.35 -1.26 -3.74 117.46 133.65 2kgh n PHE 6 Ca -0.11 -2.75 0.14 0.00 -0.76 0.00 0.00 57.45 53.98 2kgh n PHE 6 Cb 0.44 -1.69 0.69 0.00 0.35 0.00 0.00 39.48 39.27 2kgh n PHE 6 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2kgh n SER 7 N 1.73 0.02 -0.39 -2.13 7.64 -1.26 -4.39 113.62 114.83 2kgh n SER 7 Ca 0.53 0.15 -0.05 0.00 1.01 0.00 0.00 58.87 60.50 2kgh n SER 7 Cb 0.28 -0.38 -0.02 0.00 -1.01 0.00 0.00 64.21 63.08 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 -2.20 4.28 0.22 0.00 1.01 -1.26 -4.68 116.67 114.04 2kgh s ASP 9 Ca 0.00 2.16 0.25 0.00 0.71 0.00 0.00 52.55 55.67 2kgh s ASP 9 Cb 0.00 -2.57 0.49 0.00 1.01 0.00 0.00 42.92 41.85 2kgh s ASP 9 CO 0.00 -2.20 1.52 -0.29 0.21 0.00 0.00 175.17 174.41 2kgh h ILE 10 N -0.57 0.00 0.00 0.77 2.10 -1.91 -0.35 117.51 117.54 2kgh h ILE 10 Ca -0.46 -0.62 -0.24 0.00 1.08 0.00 0.00 64.86 64.61 2kgh h ILE 10 Cb 1.27 1.43 -0.04 0.00 -1.09 0.00 0.00 36.82 38.39 2kgh h ILE 10 CO 0.50 0.00 -1.36 0.50 -1.08 0.00 0.00 178.15 176.71 2kgh h LYS 11 N 0.00 0.00 0.00 2.19 3.64 -1.98 -3.42 116.57 117.00 2kgh h LYS 11 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2kgh h LYS 11 Cb 0.81 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.63 2kgh h LYS 11 CO 0.00 0.68 -0.74 1.63 -2.27 0.00 0.00 179.45 178.75 2kgh n LYS 12 N -3.16 0.39 0.00 1.90 5.02 -1.21 -5.02 118.16 116.09 2kgh n LYS 12 Ca -0.09 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 2kgh n LYS 12 Cb 0.98 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.81 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 -4.02 3.31 0.00 1.97 0.00 -0.15 -4.78 120.64 116.97 2kgh n GLU 13 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.06 2kgh n GLU 13 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.82 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 0.75 0.00 8.31 0.00 -1.19 -4.21 105.19 113.86 2kgh n GLY 14 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.06 -2.74 1.61 2.85 -0.15 -4.86 118.16 111.81 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 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 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 3.94 0.00 -1.58 0.05 -1.26 -0.75 135.00 133.40 2kgh s PRO 16 Ca 0.00 0.78 0.00 0.00 0.05 0.00 0.00 61.00 61.83 2kgh s PRO 16 Cb 0.00 -3.77 0.00 0.00 0.05 0.00 0.00 34.50 30.78 2kgh s PRO 16 CO 0.00 -0.92 0.00 0.00 0.05 0.00 0.00 177.00 176.13 2kgh s LYS 18 N 4.91 1.00 0.85 0.00 0.00 -1.26 -2.46 119.74 122.79 2kgh s LYS 18 Ca 0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 55.97 54.83 2kgh s LYS 18 Cb 0.00 -1.14 0.15 0.00 0.00 0.00 0.00 37.83 36.84 2kgh s LYS 18 CO 0.00 0.26 1.19 -1.25 0.00 0.00 0.00 175.35 175.55 2kgh s PRO 19 N -1.73 1.26 -0.00 1.78 0.04 -1.26 -4.35 135.00 130.73 2kgh s PRO 19 Ca 0.03 -0.47 -0.23 0.00 0.04 0.00 0.00 61.00 60.36 2kgh s PRO 19 Cb -0.10 -2.01 -0.18 0.00 0.04 0.00 0.00 34.50 32.25 2kgh s PRO 19 CO 0.03 -1.93 1.25 -0.22 0.04 0.00 0.00 177.00 176.17 2kgh h LYS 20 N -1.18 0.18 0.00 4.56 3.64 -2.00 -3.44 116.57 118.34 2kgh h LYS 20 Ca -0.43 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 58.84 2kgh h LYS 20 Cb 1.27 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 2kgh h LYS 20 CO 0.45 0.68 0.00 0.41 -2.27 0.00 0.00 179.45 178.72 2kgh n GLY 21 N 0.38 -0.54 3.87 5.01 0.00 -1.26 -5.11 105.19 107.53 2kgh n GLY 21 Ca -0.08 0.27 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 3.41 0.00 1.61 0.41 -1.26 -4.95 118.70 117.92 2kgh s GLU 22 Ca 0.00 -0.16 0.00 0.00 -0.41 0.00 0.00 54.97 54.40 2kgh s GLU 22 Cb 0.00 -3.16 0.00 0.00 -1.78 0.00 0.00 34.13 29.19 2kgh s GLU 22 CO 0.00 0.77 0.10 1.63 -0.49 0.00 0.00 175.26 177.27 2kgh n LYS 23 N 1.94 5.19 0.24 1.61 4.76 -1.26 -4.57 118.16 126.06 2kgh n LYS 23 Ca -0.19 -0.10 0.13 0.00 -2.87 0.00 0.00 58.31 55.28 2kgh n LYS 23 Cb 0.55 -0.59 0.47 0.00 -1.84 0.00 0.00 35.03 33.61 2kgh n LYS 23 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2kgh h LYS 24 N 0.00 0.00 -5.33 1.97 1.63 -2.03 -3.40 116.57 109.41 2kgh h LYS 24 Ca 0.00 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.13 2kgh h LYS 24 Cb 0.00 0.00 -0.31 0.00 -0.60 0.00 0.00 32.23 31.32 2kgh h LYS 24 CO 0.00 0.09 -0.84 0.00 -3.45 0.00 0.00 179.45 175.25 2kgh s THR 26 N 0.36 0.12 0.00 0.00 2.01 -1.26 -4.91 115.64 111.95 2kgh s THR 26 Ca -0.16 0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2kgh s THR 26 Cb -0.17 -0.19 0.00 0.00 0.01 0.00 0.00 72.50 72.15 2kgh s THR 26 CO 0.08 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.72 2kgh n GLY 27 N 3.82 1.17 3.15 4.40 0.00 -1.26 -4.85 105.19 111.63 2kgh n GLY 27 Ca -0.23 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 44.67 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 1.80 -0.89 -0.02 0.00 -1.26 -4.97 107.32 101.98 2kgh s GLY 28 Ca 0.00 -1.94 -0.22 0.00 0.00 0.00 0.00 44.72 42.57 2kgh s GLY 28 CO 0.00 0.76 1.22 -0.98 0.00 0.00 0.00 173.10 174.10 2kgh s TRP 29 N 1.20 2.74 -0.10 1.90 0.51 -1.03 -0.09 118.94 124.07 2kgh s TRP 29 Ca -0.02 -0.89 -0.20 0.00 -2.12 0.00 0.00 56.10 52.87 2kgh s TRP 29 Cb -0.20 -4.47 -0.04 0.00 -0.81 0.00 0.00 33.47 27.95 2kgh s TRP 29 CO -0.02 -1.74 0.56 1.03 -0.51 0.00 0.00 176.95 176.26 2kgh s ARG 30 N 4.08 4.37 0.02 4.98 0.52 -0.87 -0.11 118.95 131.94 2kgh s ARG 30 Ca 0.35 0.60 -0.17 0.00 -0.52 0.00 0.00 55.73 55.99 2kgh s ARG 30 Cb -0.06 -3.44 -0.06 0.00 0.52 0.00 0.00 34.95 31.91 2kgh s ARG 30 CO -0.03 0.11 0.49 0.00 0.02 0.00 0.00 175.30 175.89 2kgh s LYS 32 N -0.87 1.55 0.41 0.00 2.20 -0.68 -0.97 119.74 121.38 2kgh s LYS 32 Ca 0.26 -1.79 0.17 0.00 -0.36 0.00 0.00 55.97 54.25 2kgh s LYS 32 Cb -0.18 0.33 1.05 0.00 -1.51 0.00 0.00 37.83 37.53 2kgh s LYS 32 CO 0.15 -0.57 1.85 0.82 -0.36 0.00 0.00 175.35 177.24 2kgh h ILE 33 N 2.32 0.68 -2.54 5.43 2.04 -1.97 -1.64 117.51 121.83 2kgh h ILE 33 Ca -0.30 -0.15 -0.75 0.00 1.00 0.00 0.00 64.86 64.66 2kgh h ILE 33 Cb 1.24 0.20 -0.32 0.00 -0.74 0.00 0.00 36.82 37.20 2kgh h ILE 33 CO 0.43 0.08 0.45 0.29 0.00 0.00 0.00 178.15 179.40 2kgh n LYS 34 N -4.53 4.27 0.00 2.37 4.76 -1.26 -5.05 118.16 118.71 2kgh n LYS 34 Ca 0.20 -4.64 0.00 0.00 -2.87 0.00 0.00 58.31 50.99 2kgh n LYS 34 Cb 0.69 -2.43 0.00 0.00 -1.84 0.00 0.00 35.03 31.46 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 0.69 0.00 -4.59 -0.35 4.77 -0.62 -4.60 117.00 112.31 2kgh n LEU 35 Ca 0.33 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 2kgh n LEU 35 Cb 0.33 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2kgh n LEU 35 CO 0.58 -0.39 1.43 0.00 -1.33 0.00 0.00 177.39 177.67 2kgh s LEU 37 N 6.67 5.44 -0.09 0.00 2.96 0.14 -4.94 118.68 128.86 2kgh s LEU 37 Ca 0.70 -2.28 -0.32 0.00 -0.22 0.00 0.00 54.13 52.01 2kgh s LEU 37 Cb -0.17 -1.90 -0.10 0.00 0.50 0.00 0.00 46.19 44.52 2kgh s LEU 37 CO 0.31 -0.53 1.99 2.29 -1.32 0.00 0.00 176.35 179.09 2kgh n LYS 38 N 4.31 2.27 0.00 1.98 2.85 -1.26 -2.06 118.16 126.25 2kgh n LYS 38 Ca 0.00 0.79 0.05 0.00 -1.05 0.00 0.00 58.31 58.10 2kgh n LYS 38 Cb 0.40 -2.84 0.04 0.00 -0.65 0.00 0.00 35.03 31.98 2kgh n LYS 38 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46