#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wb1 n GLY 7 N 0.00 2.97 3.57 0.00 0.00 -1.22 -4.69 105.19 105.82 2wb1 n GLY 7 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 2wb1 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wb1 s LYS 8 N -1.63 2.01 0.05 1.61 1.02 -0.75 -2.64 119.74 119.41 2wb1 s LYS 8 Ca 0.00 -2.25 -0.02 0.00 0.02 0.00 0.00 55.97 53.72 2wb1 s LYS 8 Cb 0.00 -0.79 -0.03 0.00 -0.52 0.00 0.00 37.83 36.49 2wb1 s LYS 8 CO 0.00 -0.47 0.01 0.00 -0.92 0.00 0.00 175.35 173.96 2wb1 s TRP 10 N -3.81 3.03 0.00 0.00 -0.00 -1.26 -3.62 118.94 113.29 2wb1 s TRP 10 Ca 0.06 0.69 0.00 0.00 -0.00 0.00 0.00 56.10 56.85 2wb1 s TRP 10 Cb 0.07 -3.93 0.00 0.00 -0.00 0.00 0.00 33.47 29.61 2wb1 s TRP 10 CO -0.10 -3.34 0.00 1.63 -0.00 0.00 0.00 176.95 175.14 2wb1 n LYS 11 N 3.59 0.00 -3.34 5.86 4.76 -1.26 -4.74 118.16 123.03 2wb1 n LYS 11 Ca 0.12 0.00 -0.46 0.00 -2.87 0.00 0.00 58.31 55.10 2wb1 n LYS 11 Cb 0.39 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.56 2wb1 n LYS 11 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2wb1 s THR 12 N 0.00 5.67 -0.90 -0.18 -4.23 -1.25 -4.96 115.64 109.79 2wb1 s THR 12 Ca 0.00 -2.70 -0.21 0.00 -1.18 0.00 0.00 61.69 57.60 2wb1 s THR 12 Cb 0.00 -4.48 -0.12 0.00 1.34 0.00 0.00 72.50 69.24 2wb1 s THR 12 CO 0.00 -1.06 1.97 0.49 -0.54 0.00 0.00 174.62 175.48 2wb1 n PHE 13 N 3.67 2.20 -3.74 3.99 3.01 -1.24 -3.66 117.46 121.69 2wb1 n PHE 13 Ca 0.16 -1.98 -0.36 0.00 1.01 0.00 0.00 57.45 56.27 2wb1 n PHE 13 Cb 0.45 -1.89 -0.10 0.00 -0.01 0.00 0.00 39.48 37.93 2wb1 n PHE 13 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2wb1 s THR 14 N 5.00 5.04 0.20 4.37 2.01 -1.26 -4.86 115.64 126.13 2wb1 s THR 14 Ca 0.56 0.07 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 2wb1 s THR 14 Cb 0.14 -3.34 -0.09 0.00 0.01 0.00 0.00 72.50 69.21 2wb1 s THR 14 CO 0.09 0.35 1.39 -1.81 -0.69 0.00 0.00 174.62 173.95 2wb1 s ASP 15 N 1.12 6.78 -0.05 3.53 -0.00 -1.26 -4.30 116.67 122.50 2wb1 s ASP 15 Ca 0.06 2.49 -0.02 0.00 -0.00 0.00 0.00 52.55 55.08 2wb1 s ASP 15 Cb -0.14 -2.61 0.04 0.00 -0.00 0.00 0.00 42.92 40.21 2wb1 s ASP 15 CO 0.04 -0.63 0.09 -1.83 -0.00 0.00 0.00 175.17 172.85 2wb1 s GLU 16 N 0.14 0.00 0.99 8.23 -1.05 -1.08 -4.99 118.70 120.94 2wb1 s GLU 16 Ca 0.60 0.33 -0.11 0.00 -0.15 0.00 0.00 54.97 55.64 2wb1 s GLU 16 Cb -0.39 -0.28 0.16 0.00 -0.44 0.00 0.00 34.13 33.18 2wb1 s GLU 16 CO 0.38 -0.22 0.94 0.94 0.95 0.00 0.00 175.26 178.25 2wb1 n GLN 17 N 4.56 -0.90 0.00 -4.83 -0.06 -1.26 -3.39 117.38 111.50 2wb1 n GLN 17 Ca -0.20 -0.21 0.00 0.00 -2.00 0.00 0.00 57.00 54.59 2wb1 n GLN 17 Cb 0.50 -2.21 0.00 0.00 -4.06 0.00 0.00 30.24 24.47 2wb1 n GLN 17 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 2wb1 n LEU 18 N -3.77 0.00 -4.49 1.69 4.77 -1.26 -4.39 117.00 109.54 2wb1 n LEU 18 Ca 0.09 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.64 2wb1 n LEU 18 Cb 0.53 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.59 2wb1 n LEU 18 CO 0.51 0.00 1.10 -0.54 -1.33 0.00 0.00 177.39 177.13 2wb1 s LYS 19 N -1.77 3.47 -0.06 3.23 -0.14 -1.26 -4.97 119.74 118.25 2wb1 s LYS 19 Ca 0.00 -1.28 0.03 0.00 -1.36 0.00 0.00 55.97 53.36 2wb1 s LYS 19 Cb 0.00 -4.86 0.01 0.00 -1.68 0.00 0.00 37.83 31.30 2wb1 s LYS 19 CO 0.00 -1.94 -0.14 0.14 -0.76 0.00 0.00 175.35 172.65 2wb1 s VAL 20 N 3.85 1.26 -0.28 3.17 -7.23 -1.26 -5.03 120.40 114.87 2wb1 s VAL 20 Ca 0.35 -0.58 -0.15 0.00 -1.81 0.00 0.00 61.98 59.78 2wb1 s VAL 20 Cb -0.06 -1.11 0.09 0.00 0.56 0.00 0.00 36.38 35.86 2wb1 s VAL 20 CO -0.04 0.38 0.71 -0.22 -0.31 0.00 0.00 175.10 175.62 2wb1 s LEU 21 N 0.39 -0.93 -0.00 1.32 1.98 -1.26 -4.83 118.68 115.34 2wb1 s LEU 21 Ca -0.10 1.46 0.21 0.00 -2.89 0.00 0.00 54.13 52.81 2wb1 s LEU 21 Cb -0.14 2.32 -0.23 0.00 0.66 0.00 0.00 46.19 48.81 2wb1 s LEU 21 CO 0.03 -0.23 0.81 -0.81 -1.89 0.00 0.00 176.35 174.26 2wb1 n PRO 22 N 4.39 0.20 0.00 0.98 -0.04 -1.26 -5.07 135.00 134.20 2wb1 n PRO 22 Ca -0.19 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2wb1 n PRO 22 Cb 0.58 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.53 2wb1 n PRO 22 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wb1 n GLY 23 N 1.43 5.26 2.75 0.55 0.00 -1.26 -5.09 105.19 108.83 2wb1 n GLY 23 Ca 0.02 -1.89 -0.33 0.00 0.00 0.00 0.00 46.02 43.82 2wb1 n GLY 23 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2wb1 n VAL 24 N 0.00 3.29 -4.36 1.61 3.14 -1.26 -4.94 118.33 115.80 2wb1 n VAL 24 Ca 0.00 -5.38 -0.22 0.00 -2.96 0.00 0.00 64.34 55.78 2wb1 n VAL 24 Cb 0.00 -2.16 -0.08 0.00 -1.06 0.00 0.00 33.84 30.54 2wb1 n VAL 24 CO 0.00 0.00 0.00 -0.13 -6.46 0.00 0.00 176.83 170.24 2wb1 s ARG 25 N -2.29 1.86 -0.24 1.45 0.52 -1.26 -4.81 118.95 114.18 2wb1 s ARG 25 Ca 0.34 -2.10 -0.11 0.00 -0.52 0.00 0.00 55.73 53.34 2wb1 s ARG 25 Cb 0.06 0.06 -0.05 0.00 0.52 0.00 0.00 34.95 35.55 2wb1 s ARG 25 CO -0.01 -0.63 0.17 0.00 0.02 0.00 0.00 175.30 174.85 2wb1 s PRO 27 N 1.11 3.95 -0.81 0.00 0.02 -1.26 -2.83 135.00 135.18 2wb1 s PRO 27 Ca 0.08 2.50 -0.02 0.00 0.02 0.00 0.00 61.00 63.58 2wb1 s PRO 27 Cb -0.14 -4.20 -0.02 0.00 0.02 0.00 0.00 34.50 30.17 2wb1 s PRO 27 CO 0.05 -1.17 0.75 0.98 -0.33 0.00 0.00 177.00 177.28 2wb1 n TYR 28 N 8.31 -2.85 0.15 6.54 9.36 -1.26 -4.96 117.16 132.45 2wb1 n TYR 28 Ca 0.22 1.07 0.00 0.00 3.32 0.00 0.00 57.90 62.50 2wb1 n TYR 28 Cb 0.42 -4.10 0.00 0.00 -0.63 0.00 0.00 39.34 35.03 2wb1 n TYR 28 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2wb1 n GLY 30 N 0.27 0.43 3.04 0.00 0.00 -1.25 -5.06 105.19 102.61 2wb1 n GLY 30 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 2wb1 n GLY 30 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2wb1 s TYR 31 N -2.30 0.32 -0.02 1.61 5.04 -1.26 -5.05 117.35 115.68 2wb1 s TYR 31 Ca 0.01 -0.67 0.11 0.00 -2.44 0.00 0.00 57.07 54.08 2wb1 s TYR 31 Cb -0.00 -0.24 -0.17 0.00 0.35 0.00 0.00 41.96 41.89 2wb1 s TYR 31 CO 0.01 -0.28 0.24 1.63 -1.34 0.00 0.00 175.55 175.81 2wb1 n LYS 32 N 1.02 0.46 -3.01 4.97 5.02 -1.26 -2.07 118.16 123.29 2wb1 n LYS 32 Ca -0.20 -0.10 -0.42 0.00 -2.02 0.00 0.00 58.31 55.57 2wb1 n LYS 32 Cb 0.57 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.26 2wb1 n LYS 32 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2wb1 s ILE 33 N -2.76 4.79 -0.11 -0.18 1.09 -1.26 -4.81 121.20 117.97 2wb1 s ILE 33 Ca -0.04 0.83 -0.01 0.00 -1.10 0.00 0.00 60.65 60.33 2wb1 s ILE 33 Cb 0.07 -4.16 0.03 0.00 -1.06 0.00 0.00 42.46 37.35 2wb1 s ILE 33 CO 0.47 -0.37 -0.01 -0.51 -0.10 0.00 0.00 174.94 174.42 2wb1 s ILE 34 N 2.95 0.61 0.63 2.92 2.07 -1.26 -3.98 121.20 125.13 2wb1 s ILE 34 Ca 0.29 -0.15 -0.10 0.00 -1.41 0.00 0.00 60.65 59.28 2wb1 s ILE 34 Cb -0.14 -0.79 -0.03 0.00 0.13 0.00 0.00 42.46 41.63 2wb1 s ILE 34 CO 0.16 0.19 1.02 -0.36 -1.91 0.00 0.00 174.94 174.04 2wb1 s PHE 35 N 1.87 3.55 -0.14 3.50 2.99 -1.16 -4.88 117.98 123.70 2wb1 s PHE 35 Ca 0.04 1.18 -0.09 0.00 0.00 0.00 0.00 56.93 58.06 2wb1 s PHE 35 Cb -0.13 -2.76 -0.04 0.00 0.00 0.00 0.00 43.02 40.08 2wb1 s PHE 35 CO -0.07 -0.76 0.16 1.41 -0.00 0.00 0.00 175.22 175.96 2wb1 s MET 36 N -5.18 3.74 0.60 0.44 -2.45 -1.26 -1.81 119.30 113.38 2wb1 s MET 36 Ca 0.55 -0.12 -0.08 0.00 -1.25 0.00 0.00 55.69 54.79 2wb1 s MET 36 Cb -0.11 -3.28 -0.00 0.00 1.25 0.00 0.00 34.83 32.69 2wb1 s MET 36 CO 0.53 0.60 0.94 0.54 1.05 0.00 0.00 175.02 178.68 2wb1 s VAL 37 N -0.52 3.95 0.18 10.11 0.11 -1.26 -4.87 120.40 128.10 2wb1 s VAL 37 Ca 0.13 0.25 -0.31 0.00 -2.93 0.00 0.00 61.98 59.12 2wb1 s VAL 37 Cb -0.12 -3.58 -0.10 0.00 -1.53 0.00 0.00 36.38 31.05 2wb1 s VAL 37 CO 0.03 -0.65 1.58 -0.60 -3.33 0.00 0.00 175.10 172.13 2wb1 s ARG 38 N -5.06 4.20 -0.20 1.54 3.52 -1.26 -4.77 118.95 116.93 2wb1 s ARG 38 Ca 0.54 2.40 -0.43 0.00 -0.13 0.00 0.00 55.73 58.11 2wb1 s ARG 38 Cb -0.11 -3.13 -0.20 0.00 -1.56 0.00 0.00 34.95 29.95 2wb1 s ARG 38 CO 0.48 -0.61 1.32 1.17 -0.81 0.00 0.00 175.30 176.85 2wb1 n LYS 39 N 3.77 0.12 0.00 5.12 4.81 -1.26 -4.85 118.16 125.88 2wb1 n LYS 39 Ca 0.13 0.04 0.09 0.00 -0.87 0.00 0.00 58.31 57.71 2wb1 n LYS 39 Cb 0.38 -1.56 0.49 0.00 0.02 0.00 0.00 35.03 34.36 2wb1 n LYS 39 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2wb1 n PRO 40 N 2.71 0.37 -2.63 1.64 -0.04 -1.26 -4.87 135.00 130.92 2wb1 n PRO 40 Ca 0.24 0.08 -0.37 0.00 -0.04 0.00 0.00 63.50 63.42 2wb1 n PRO 40 Cb 0.03 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.95 2wb1 n PRO 40 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wb1 s THR 41 N -2.38 3.91 0.05 0.52 2.01 -1.26 -5.00 115.64 113.48 2wb1 s THR 41 Ca 0.21 1.50 -0.30 0.00 0.31 0.00 0.00 61.69 63.40 2wb1 s THR 41 Cb 0.12 -3.79 -0.08 0.00 0.01 0.00 0.00 72.50 68.76 2wb1 s THR 41 CO 0.26 0.04 1.80 -0.51 -0.69 0.00 0.00 174.62 175.51 2wb1 s ILE 42 N -1.66 3.03 -0.09 1.82 2.07 -1.26 -5.01 121.20 120.10 2wb1 s ILE 42 Ca 0.55 0.28 -0.01 0.00 -1.41 0.00 0.00 60.65 60.06 2wb1 s ILE 42 Cb -0.20 -3.18 -0.03 0.00 0.13 0.00 0.00 42.46 39.17 2wb1 s ILE 42 CO 0.26 -0.01 -0.02 -0.54 -1.91 0.00 0.00 174.94 172.71 2wb1 s LYS 43 N 3.53 2.99 -0.44 3.50 -0.14 -1.26 -5.09 119.74 122.83 2wb1 s LYS 43 Ca 0.80 -0.46 -0.10 0.00 -1.36 0.00 0.00 55.97 54.86 2wb1 s LYS 43 Cb -0.41 -2.75 0.09 0.00 -1.68 0.00 0.00 37.83 33.09 2wb1 s LYS 43 CO 0.36 0.64 0.30 0.42 -0.76 0.00 0.00 175.35 176.31 2wb1 s ILE 44 N -0.73 4.30 -0.13 2.17 1.09 -1.26 -5.07 121.20 121.56 2wb1 s ILE 44 Ca 0.11 -1.51 -0.08 0.00 -1.10 0.00 0.00 60.65 58.08 2wb1 s ILE 44 Cb -0.11 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.55 2wb1 s ILE 44 CO 0.02 -0.60 0.15 -0.69 -0.10 0.00 0.00 174.94 173.71 2wb1 s VAL 45 N 1.42 5.48 0.09 2.92 1.01 -1.26 -5.09 120.40 124.96 2wb1 s VAL 45 Ca 0.04 0.23 -0.16 0.00 0.00 0.00 0.00 61.98 62.09 2wb1 s VAL 45 Cb -0.24 -3.42 -0.07 0.00 0.00 0.00 0.00 36.38 32.65 2wb1 s VAL 45 CO 0.01 0.58 0.52 -0.54 0.00 0.00 0.00 175.10 175.68 2wb1 s LYS 46 N -0.77 4.02 -1.32 2.72 1.02 -1.26 -5.00 119.74 119.16 2wb1 s LYS 46 Ca 0.14 0.53 -0.07 0.00 0.02 0.00 0.00 55.97 56.59 2wb1 s LYS 46 Cb -0.12 -3.09 0.13 0.00 -0.52 0.00 0.00 37.83 34.23 2wb1 s LYS 46 CO 0.03 0.58 2.23 0.00 -0.92 0.00 0.00 175.35 177.27 2wb1 n ALA 47 N 1.29 6.36 1.35 5.17 0.00 -1.26 -5.36 120.51 128.06 2wb1 n ALA 47 Ca -0.09 -4.15 0.13 0.00 0.00 0.00 0.00 53.44 49.34 2wb1 n ALA 47 Cb 0.52 -2.86 0.40 0.00 0.00 0.00 0.00 19.45 17.51 2wb1 n ALA 47 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61