#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gny s TYR 3 N -1.75 0.10 -0.13 0.00 2.02 0.50 -4.96 117.35 113.13 3gny s TYR 3 Ca 0.29 -0.00 -0.26 0.00 -0.37 0.00 0.00 57.07 56.72 3gny s TYR 3 Cb -0.09 -0.10 -0.02 0.00 -0.40 0.00 0.00 41.96 41.35 3gny s TYR 3 CO 0.20 -0.02 0.87 0.00 -1.57 0.00 0.00 175.55 175.03 3gny s ARG 5 N 1.87 1.08 -0.06 0.00 0.52 0.57 -4.93 118.95 118.01 3gny s ARG 5 Ca 0.41 -0.65 0.04 0.00 -0.52 0.00 0.00 55.73 55.01 3gny s ARG 5 Cb -0.17 -1.07 0.00 0.00 0.52 0.00 0.00 34.95 34.22 3gny s ARG 5 CO 0.15 0.28 -0.17 0.42 0.02 0.00 0.00 175.30 176.00 3gny s ILE 6 N -0.59 1.49 -0.96 1.52 1.01 -1.26 -0.71 121.20 121.70 3gny s ILE 6 Ca 0.04 -0.72 0.24 0.00 0.00 0.00 0.00 60.65 60.21 3gny s ILE 6 Cb -0.07 -1.30 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 3gny s ILE 6 CO 0.00 0.43 1.31 -0.81 0.00 0.00 0.00 174.94 175.87 3gny n PRO 7 N 3.39 0.03 -3.53 2.79 -0.04 -1.26 -5.06 135.00 131.32 3gny n PRO 7 Ca -0.20 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.18 3gny n PRO 7 Cb 0.53 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 32.45 3gny n PRO 7 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gny s ALA 8 N -3.02 -1.71 0.84 0.55 0.00 -1.26 -4.84 121.76 112.33 3gny s ALA 8 Ca 0.10 0.68 -0.11 0.00 0.00 0.00 0.00 51.96 52.62 3gny s ALA 8 Cb 0.17 0.60 0.10 0.00 0.00 0.00 0.00 23.12 23.99 3gny s ALA 8 CO 0.73 -0.78 1.15 0.00 0.00 0.00 0.00 175.76 176.87 3gny s ILE 10 N -2.51 2.55 0.11 0.00 -4.36 -1.26 -5.01 121.20 110.72 3gny s ILE 10 Ca 0.68 -1.33 -0.35 0.00 -0.26 0.00 0.00 60.65 59.39 3gny s ILE 10 Cb -0.23 -2.88 -0.17 0.00 1.25 0.00 0.00 42.46 40.43 3gny s ILE 10 CO 0.54 0.00 1.21 0.00 0.24 0.00 0.00 174.94 176.93 3gny n ALA 11 N -1.61 -1.31 -0.34 2.27 0.00 -1.26 -1.29 120.51 116.96 3gny n ALA 11 Ca 0.04 0.51 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3gny n ALA 11 Cb 0.62 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.07 3gny n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gny n GLY 12 N 2.19 0.99 3.59 0.00 0.00 -1.26 -5.04 105.19 105.65 3gny n GLY 12 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 3gny n GLY 12 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gny s GLU 13 N -0.50 2.10 0.07 1.61 2.02 -0.41 -5.01 118.70 118.58 3gny s GLU 13 Ca 0.00 -1.40 0.09 0.00 0.02 0.00 0.00 54.97 53.68 3gny s GLU 13 Cb 0.00 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.09 3gny s GLU 13 CO 0.00 0.39 -0.24 0.50 0.02 0.00 0.00 175.26 175.93 3gny s ARG 14 N -3.26 1.50 -0.19 1.61 3.52 0.34 -4.76 118.95 117.71 3gny s ARG 14 Ca 0.28 -1.11 -0.28 0.00 -0.13 0.00 0.00 55.73 54.49 3gny s ARG 14 Cb -0.07 -1.74 -0.00 0.00 -1.56 0.00 0.00 34.95 31.58 3gny s ARG 14 CO 0.17 0.43 0.98 0.50 -0.81 0.00 0.00 175.30 176.57 3gny s ARG 15 N -1.48 4.30 0.00 5.12 3.52 -1.26 -1.48 118.95 127.67 3gny s ARG 15 Ca 0.10 1.27 0.11 0.00 -0.13 0.00 0.00 55.73 57.08 3gny s ARG 15 Cb -0.10 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.64 3gny s ARG 15 CO 0.03 -0.49 0.56 0.66 -0.81 0.00 0.00 175.30 175.25 3gny n TYR 16 N 5.79 0.00 -0.27 5.12 4.01 0.58 -5.00 117.16 127.40 3gny n TYR 16 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3gny n TYR 16 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 3gny n TYR 16 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gny n GLY 17 N 1.06 -0.70 2.90 2.72 0.00 -1.15 -5.00 105.19 105.03 3gny n GLY 17 Ca 0.03 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 3gny n GLY 17 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gny s THR 18 N -3.92 0.05 0.07 2.61 2.01 -1.26 -0.95 115.64 114.25 3gny s THR 18 Ca 0.00 -0.25 0.05 0.00 0.31 0.00 0.00 61.69 61.81 3gny s THR 18 Cb 0.00 -0.09 -0.04 0.00 0.01 0.00 0.00 72.50 72.38 3gny s THR 18 CO 0.00 -0.12 -0.08 0.00 -0.69 0.00 0.00 174.62 173.73 3gny s ILE 20 N -1.14 2.61 -0.28 0.00 1.01 -1.26 -0.74 121.20 121.40 3gny s ILE 20 Ca 0.20 -1.00 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 3gny s ILE 20 Cb -0.11 -2.27 0.11 0.00 0.01 0.00 0.00 42.46 40.20 3gny s ILE 20 CO 0.12 0.30 0.86 -0.47 0.00 0.00 0.00 174.94 175.76 3gny s TYR 21 N 1.31 -0.72 -1.47 3.97 5.04 -0.74 -4.96 117.35 119.78 3gny s TYR 21 Ca 0.01 1.57 -0.06 0.00 -2.44 0.00 0.00 57.07 56.15 3gny s TYR 21 Cb -0.16 0.42 0.03 0.00 0.35 0.00 0.00 41.96 42.60 3gny s TYR 21 CO -0.07 -0.35 0.57 1.04 -1.34 0.00 0.00 175.55 175.39 3gny n GLN 22 N 3.31 -4.43 -1.01 4.97 1.13 -1.26 -1.41 117.38 118.69 3gny n GLN 22 Ca -0.17 0.77 -0.00 0.00 -1.94 0.00 0.00 57.00 55.66 3gny n GLN 22 Cb 0.57 -5.59 -0.00 0.00 0.11 0.00 0.00 30.24 25.33 3gny n GLN 22 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3gny n GLY 23 N -1.41 0.37 3.30 1.08 0.00 -1.26 -5.00 105.19 102.28 3gny n GLY 23 Ca -0.08 -0.02 -0.19 0.00 0.00 0.00 0.00 46.02 45.72 3gny n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gny s ARG 24 N -0.62 1.20 0.01 1.61 1.81 -0.50 -5.14 118.95 117.32 3gny s ARG 24 Ca 0.00 -1.42 -0.19 0.00 -1.72 0.00 0.00 55.73 52.40 3gny s ARG 24 Cb 0.00 -1.08 -0.06 0.00 -0.45 0.00 0.00 34.95 33.37 3gny s ARG 24 CO 0.00 0.20 0.55 -0.51 -0.68 0.00 0.00 175.30 174.85 3gny s LEU 25 N -2.85 4.45 0.06 2.53 1.43 -1.26 -1.80 118.68 121.24 3gny s LEU 25 Ca 0.16 1.13 0.06 0.00 -1.03 0.00 0.00 54.13 54.46 3gny s LEU 25 Cb -0.03 -2.84 -0.03 0.00 0.03 0.00 0.00 46.19 43.32 3gny s LEU 25 CO 0.05 0.18 -0.17 0.26 0.23 0.00 0.00 176.35 176.90 3gny s TRP 26 N -0.56 1.51 0.12 0.29 0.52 0.09 -4.87 118.94 116.03 3gny s TRP 26 Ca 0.29 -0.39 -0.30 0.00 0.02 0.00 0.00 56.10 55.72 3gny s TRP 26 Cb -0.18 -0.88 -0.06 0.00 -1.15 0.00 0.00 33.47 31.20 3gny s TRP 26 CO 0.17 0.09 1.11 0.00 0.02 0.00 0.00 176.95 178.34 3gny s ALA 27 N -0.96 3.35 -0.34 0.98 0.00 0.12 -0.60 121.76 124.31 3gny s ALA 27 Ca 0.04 0.78 -0.19 0.00 0.00 0.00 0.00 51.96 52.59 3gny s ALA 27 Cb -0.09 -3.38 -0.00 0.00 0.00 0.00 0.00 23.12 19.65 3gny s ALA 27 CO 0.02 -0.28 0.56 0.12 0.00 0.00 0.00 175.76 176.19 3gny s PHE 28 N 0.34 3.18 -0.07 0.00 5.36 -0.12 -0.31 117.98 126.36 3gny s PHE 28 Ca 0.53 0.32 0.05 0.00 -0.96 0.00 0.00 56.93 56.87 3gny s PHE 28 Cb -0.28 -2.97 -0.00 0.00 -0.34 0.00 0.00 43.02 39.42 3gny s PHE 28 CO 0.32 -0.53 -0.22 0.00 -1.46 0.00 0.00 175.22 173.33