#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk1 s SER 2 N 0.00 -0.36 -0.11 1.61 0.15 -1.26 -5.15 113.70 108.58 2dk1 s SER 2 Ca 0.00 0.69 -0.03 0.00 0.70 0.00 0.00 55.95 57.32 2dk1 s SER 2 Cb 0.00 0.69 -0.03 0.00 -1.71 0.00 0.00 66.02 64.97 2dk1 s SER 2 CO 0.00 -0.12 -0.01 -0.44 1.20 0.00 0.00 173.24 173.87 2dk1 s SER 3 N 0.27 5.11 0.00 5.45 0.01 -1.26 -4.48 113.70 118.80 2dk1 s SER 3 Ca -0.01 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.31 2dk1 s SER 3 Cb -0.03 -1.56 0.00 0.00 0.21 0.00 0.00 66.02 64.64 2dk1 s SER 3 CO -0.00 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.56 2dk1 n GLY 4 N 2.62 2.28 2.67 3.44 0.00 -1.26 -4.90 105.19 110.04 2dk1 n GLY 4 Ca -0.18 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.81 2dk1 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk1 s SER 5 N -0.98 3.31 -0.00 1.61 0.15 -1.26 -5.08 113.70 111.45 2dk1 s SER 5 Ca 0.00 -3.32 0.01 0.00 0.70 0.00 0.00 55.95 53.34 2dk1 s SER 5 Cb 0.00 -1.07 -0.00 0.00 -1.71 0.00 0.00 66.02 63.24 2dk1 s SER 5 CO 0.00 -0.15 -0.02 -0.44 1.20 0.00 0.00 173.24 173.83 2dk1 s SER 6 N -0.53 0.25 0.46 5.45 0.01 -1.26 -5.03 113.70 113.04 2dk1 s SER 6 Ca 0.26 -0.04 -0.13 0.00 1.31 0.00 0.00 55.95 57.36 2dk1 s SER 6 Cb -0.05 -0.03 -0.07 0.00 0.21 0.00 0.00 66.02 66.08 2dk1 s SER 6 CO -0.15 0.02 0.87 -0.83 0.41 0.00 0.00 173.24 173.56 2dk1 s GLY 7 N 0.01 1.97 -0.30 3.44 0.00 -1.26 -5.06 107.32 106.11 2dk1 s GLY 7 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 44.72 44.68 2dk1 s GLY 7 CO -0.00 0.17 0.06 0.50 0.00 0.00 0.00 173.10 173.83 2dk1 s ARG 8 N -4.02 1.07 0.21 2.90 1.81 -1.26 -4.92 118.95 114.73 2dk1 s ARG 8 Ca 0.54 -1.26 0.00 0.00 -1.72 0.00 0.00 55.73 53.30 2dk1 s ARG 8 Cb -0.10 -2.43 -0.04 0.00 -0.45 0.00 0.00 34.95 31.92 2dk1 s ARG 8 CO 0.33 -0.89 0.08 -1.58 -0.68 0.00 0.00 175.30 172.56 2dk1 s TRP 9 N 1.39 1.26 -0.12 -0.53 0.52 -1.26 -3.23 118.94 116.97 2dk1 s TRP 9 Ca 0.07 -1.23 -0.09 0.00 0.02 0.00 0.00 56.10 54.88 2dk1 s TRP 9 Cb -0.18 -0.69 0.04 0.00 -1.15 0.00 0.00 33.47 31.49 2dk1 s TRP 9 CO -0.16 -0.44 0.30 0.14 0.02 0.00 0.00 176.95 176.81 2dk1 s VAL 10 N -3.91 -0.02 -0.18 4.03 -7.23 -1.00 -4.95 120.40 107.15 2dk1 s VAL 10 Ca 0.34 0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.32 2dk1 s VAL 10 Cb 0.07 -0.44 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2dk1 s VAL 10 CO 0.10 0.03 0.81 -0.70 -0.31 0.00 0.00 175.10 175.02 2dk1 s GLU 11 N 0.74 4.28 0.00 4.82 2.12 -1.26 -1.65 118.70 127.75 2dk1 s GLU 11 Ca -0.05 0.97 0.00 0.00 0.36 0.00 0.00 54.97 56.25 2dk1 s GLU 11 Cb -0.06 -3.58 0.00 0.00 0.26 0.00 0.00 34.13 30.75 2dk1 s GLU 11 CO -0.05 -0.33 0.00 0.41 -0.54 0.00 0.00 175.26 174.75 2dk1 n GLY 12 N 3.51 5.50 3.23 -1.50 0.00 -0.17 -4.99 105.19 110.78 2dk1 n GLY 12 Ca 0.04 -1.18 -0.11 0.00 0.00 0.00 0.00 46.02 44.77 2dk1 n GLY 12 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2dk1 s ILE 13 N 2.50 0.09 0.00 -0.61 -1.09 -1.26 -3.21 121.20 117.61 2dk1 s ILE 13 Ca 0.00 -0.73 0.00 0.00 -2.23 0.00 0.00 60.65 57.69 2dk1 s ILE 13 Cb 0.00 -0.92 0.00 0.00 -1.58 0.00 0.00 42.46 39.96 2dk1 s ILE 13 CO 0.00 -0.40 0.00 0.35 -1.23 0.00 0.00 174.94 173.66 2dk1 n THR 14 N 0.64 0.00 -1.49 2.92 -2.24 -0.34 -4.87 114.28 108.90 2dk1 n THR 14 Ca -0.19 0.00 -0.51 0.00 -2.27 0.00 0.00 64.05 61.08 2dk1 n THR 14 Cb 0.59 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 2dk1 n THR 14 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2dk1 n SER 15 N -1.44 0.01 0.00 3.42 2.88 -1.26 -1.79 113.62 115.44 2dk1 n SER 15 Ca 0.00 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 2dk1 n SER 15 Cb 0.00 -1.04 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2dk1 n GLU 16 N 1.34 0.00 0.00 -1.46 4.07 -1.26 -3.67 120.64 119.66 2dk1 n GLU 16 Ca 0.17 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.27 2dk1 n GLU 16 Cb 0.21 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.59 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk1 n GLY 17 N 0.00 0.00 3.70 8.31 0.00 -0.74 -5.15 105.19 111.32 2dk1 n GLY 17 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2dk1 n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2dk1 s TYR 18 N 0.00 3.45 -0.49 1.61 2.02 -1.23 -4.83 117.35 117.88 2dk1 s TYR 18 Ca 0.00 0.74 -0.28 0.00 -0.37 0.00 0.00 57.07 57.16 2dk1 s TYR 18 Cb 0.00 -2.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.05 2dk1 s TYR 18 CO 0.00 0.10 1.44 -1.01 -1.57 0.00 0.00 175.55 174.51 2dk1 s HIS 19 N 0.91 2.30 0.41 2.71 3.76 -1.26 -1.20 115.29 122.93 2dk1 s HIS 19 Ca 0.22 0.58 0.07 0.00 -0.15 0.00 0.00 55.06 55.78 2dk1 s HIS 19 Cb -0.15 -4.34 -0.07 0.00 1.11 0.00 0.00 32.58 29.14 2dk1 s HIS 19 CO 0.08 -2.01 0.09 1.52 -0.85 0.00 0.00 174.74 173.58 2dk1 s TYR 20 N 5.92 2.54 -0.11 1.40 1.13 -1.20 -4.94 117.35 122.09 2dk1 s TYR 20 Ca 0.58 -0.64 0.03 0.00 -1.41 0.00 0.00 57.07 55.63 2dk1 s TYR 20 Cb -0.12 -1.86 0.00 0.00 -1.10 0.00 0.00 41.96 38.88 2dk1 s TYR 20 CO 0.29 0.32 -0.23 0.71 -2.51 0.00 0.00 175.55 174.13 2dk1 s TYR 21 N -2.66 2.52 0.40 -3.49 2.02 -1.09 -1.00 117.35 114.05 2dk1 s TYR 21 Ca 0.37 -1.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.04 2dk1 s TYR 21 Cb 0.07 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.92 2dk1 s TYR 21 CO 0.20 -0.47 0.44 -0.47 -1.57 0.00 0.00 175.55 173.67 2dk1 s TYR 22 N 0.52 2.80 -0.10 2.71 5.04 -0.66 -2.31 117.35 125.35 2dk1 s TYR 22 Ca -0.15 -0.42 0.02 0.00 -2.44 0.00 0.00 57.07 54.08 2dk1 s TYR 22 Cb -0.17 -2.18 0.01 0.00 0.35 0.00 0.00 41.96 39.97 2dk1 s TYR 22 CO 0.05 -0.17 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.44 2dk1 s ASP 23 N -4.19 2.26 -0.01 4.32 1.01 0.74 -2.37 116.67 118.44 2dk1 s ASP 23 Ca 0.49 -0.39 0.14 0.00 0.71 0.00 0.00 52.55 53.51 2dk1 s ASP 23 Cb -0.06 -1.01 -0.20 0.00 1.01 0.00 0.00 42.92 42.66 2dk1 s ASP 23 CO 0.30 0.01 0.70 0.00 0.21 0.00 0.00 175.17 176.39 2dk1 n LEU 24 N 4.13 0.84 -0.10 1.23 -0.00 -1.20 -2.48 117.00 119.42 2dk1 n LEU 24 Ca -0.19 0.39 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2dk1 n LEU 24 Cb 0.51 0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 44.06 2dk1 n LEU 24 CO 0.24 0.30 0.42 -0.38 -0.00 0.00 0.00 177.39 177.97 2dk1 n ILE 25 N -2.98 -0.16 0.00 1.47 -0.00 -1.26 -4.14 119.36 112.29 2dk1 n ILE 25 Ca -0.15 1.49 0.00 0.00 -0.00 0.00 0.00 62.75 64.09 2dk1 n ILE 25 Cb 0.98 -1.93 0.00 0.00 -0.00 0.00 0.00 39.64 38.69 2dk1 n ILE 25 CO 0.00 0.00 0.00 -1.20 -0.00 0.00 0.00 176.55 175.35 2dk1 n SER 26 N -3.47 3.85 0.00 4.38 7.64 -1.26 -5.05 113.62 119.70 2dk1 n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dk1 n SER 26 Cb 0.06 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2dk1 n SER 26 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 27 N 3.22 0.39 4.00 0.23 0.00 -1.03 -5.10 105.19 106.89 2dk1 n GLY 27 Ca 0.00 -0.18 -0.18 0.00 0.00 0.00 0.00 46.02 45.67 2dk1 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dk1 s ALA 28 N 0.00 4.44 -0.05 4.61 0.00 -1.17 -4.87 121.76 124.72 2dk1 s ALA 28 Ca 0.00 -1.65 -0.10 0.00 0.00 0.00 0.00 51.96 50.21 2dk1 s ALA 28 Cb 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.55 2dk1 s ALA 28 CO 0.00 -0.23 0.24 -1.54 0.00 0.00 0.00 175.76 174.22 2dk1 s SER 29 N -4.30 -0.17 -0.05 0.00 1.04 -1.26 -0.18 113.70 108.77 2dk1 s SER 29 Ca 0.53 0.22 -0.31 0.00 0.48 0.00 0.00 55.95 56.87 2dk1 s SER 29 Cb -0.09 0.39 0.07 0.00 0.10 0.00 0.00 66.02 66.49 2dk1 s SER 29 CO 0.32 -0.25 0.69 -1.58 0.98 0.00 0.00 173.24 173.40 2dk1 s GLN 30 N -0.61 1.05 -0.12 4.02 0.74 -0.98 -5.04 119.66 118.72 2dk1 s GLN 30 Ca -0.07 0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.51 2dk1 s GLN 30 Cb -0.04 0.49 -0.05 0.00 1.10 0.00 0.00 33.01 34.51 2dk1 s GLN 30 CO 0.02 -0.33 0.09 -1.49 -0.55 0.00 0.00 175.29 173.03 2dk1 h TRP 31 N 2.96 0.00 -2.66 1.67 4.06 -1.95 -2.90 115.95 117.13 2dk1 h TRP 31 Ca -0.27 0.00 -0.48 0.00 2.06 0.00 0.00 58.89 60.20 2dk1 h TRP 31 Cb 1.14 0.00 0.23 0.00 -1.00 0.00 0.00 29.16 29.53 2dk1 h TRP 31 CO 0.37 0.20 -0.95 0.39 -3.56 0.00 0.00 178.44 174.89 2dk1 n GLU 32 N -4.72 -1.12 -3.29 0.49 1.02 -1.26 -4.58 120.64 107.17 2dk1 n GLU 32 Ca -0.04 -0.30 -0.39 0.00 -0.02 0.00 0.00 57.16 56.41 2dk1 n GLU 32 Cb 0.14 -1.73 -0.07 0.00 -0.02 0.00 0.00 31.44 29.75 2dk1 n GLU 32 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2dk1 s LYS 33 N -3.47 4.18 -0.07 3.49 2.20 -1.26 -4.84 119.74 119.97 2dk1 s LYS 33 Ca 0.56 0.33 -0.30 0.00 -0.36 0.00 0.00 55.97 56.20 2dk1 s LYS 33 Cb -0.15 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2dk1 s LYS 33 CO 0.67 -0.12 1.23 -1.25 -0.36 0.00 0.00 175.35 175.51 2dk1 s PRO 34 N 1.56 4.33 -0.84 4.03 0.04 -1.26 -4.88 135.00 137.97 2dk1 s PRO 34 Ca 0.22 1.69 -0.30 0.00 0.04 0.00 0.00 61.00 62.65 2dk1 s PRO 34 Cb -0.15 -3.59 -0.18 0.00 0.04 0.00 0.00 34.50 30.61 2dk1 s PRO 34 CO 0.09 -0.50 2.60 -1.91 0.04 0.00 0.00 177.00 177.32 2dk1 n GLU 35 N 5.45 0.29 0.00 4.56 2.13 -1.26 -0.56 120.64 131.25 2dk1 n GLU 35 Ca 0.12 0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.94 2dk1 n GLU 35 Cb 0.46 -2.01 0.00 0.00 0.27 0.00 0.00 31.44 30.15 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 36 N 6.41 3.42 3.30 8.31 0.00 -1.26 -4.86 105.19 120.51 2dk1 n GLY 36 Ca 0.58 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 2dk1 n GLY 36 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dk1 n PHE 37 N 0.00 -1.49 0.19 1.61 7.35 0.28 -4.92 117.46 120.48 2dk1 n PHE 37 Ca 0.00 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.87 2dk1 n PHE 37 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 39.48 38.22 2dk1 n PHE 37 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 2dk1 n GLN 38 N -1.76 0.00 0.00 -4.13 6.02 -1.26 -5.03 117.38 111.23 2dk1 n GLN 38 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2dk1 n GLN 38 Cb 0.60 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.86 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dk1 n GLY 39 N 0.06 2.11 2.98 1.08 0.00 -1.26 -4.87 105.19 105.30 2dk1 n GLY 39 Ca 0.00 -0.65 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 2dk1 n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk1 s ASP 40 N -3.24 4.64 -0.05 1.61 1.11 -1.26 -4.89 116.67 114.60 2dk1 s ASP 40 Ca 0.00 -2.05 -0.01 0.00 0.18 0.00 0.00 52.55 50.68 2dk1 s ASP 40 Cb 0.00 -1.51 -0.03 0.00 1.07 0.00 0.00 42.92 42.45 2dk1 s ASP 40 CO 0.00 -0.38 -0.05 0.00 1.18 0.00 0.00 175.17 175.93 2dk1 n LEU 41 N 4.35 2.02 -4.77 1.23 -0.00 -1.26 -5.01 117.00 113.56 2dk1 n LEU 41 Ca 0.02 0.01 -0.40 0.00 -0.00 0.00 0.00 56.01 55.64 2dk1 n LEU 41 Cb 0.42 -0.15 -0.06 0.00 -0.00 0.00 0.00 43.42 43.64 2dk1 n LEU 41 CO 0.20 0.40 0.46 -0.75 -0.00 0.00 0.00 177.39 177.70 2dk1 s LYS 42 N -2.09 4.51 -0.17 1.47 2.47 -1.26 -5.02 119.74 119.66 2dk1 s LYS 42 Ca -0.06 1.09 -0.28 0.00 -1.56 0.00 0.00 55.97 55.16 2dk1 s LYS 42 Cb 0.02 -3.30 -0.01 0.00 -1.46 0.00 0.00 37.83 33.08 2dk1 s LYS 42 CO 0.09 0.47 0.95 0.15 0.16 0.00 0.00 175.35 177.17 2dk1 s LYS 43 N -0.73 4.32 -0.17 4.03 1.02 -1.26 -4.97 119.74 121.97 2dk1 s LYS 43 Ca 0.36 1.24 -0.29 0.00 0.02 0.00 0.00 55.97 57.30 2dk1 s LYS 43 Cb -0.22 -3.58 -0.05 0.00 -0.52 0.00 0.00 37.83 33.46 2dk1 s LYS 43 CO 0.24 -0.42 1.87 -0.08 -0.92 0.00 0.00 175.35 176.05 2dk1 s THR 44 N 2.43 3.35 -0.33 2.17 -1.32 -1.26 -4.86 115.64 115.82 2dk1 s THR 44 Ca 0.43 0.39 -0.34 0.00 -1.21 0.00 0.00 61.69 60.96 2dk1 s THR 44 Cb -0.17 -3.37 -0.10 0.00 -1.51 0.00 0.00 72.50 67.35 2dk1 s THR 44 CO 0.12 -0.16 2.19 -1.20 -2.21 0.00 0.00 174.62 173.36 2dk1 n SER 45 N 9.27 2.30 0.00 8.08 7.64 -1.26 -4.82 113.62 134.83 2dk1 n SER 45 Ca 0.22 0.39 0.00 0.00 1.01 0.00 0.00 58.87 60.49 2dk1 n SER 45 Cb 0.44 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.34 2dk1 n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 46 N 6.42 -0.41 3.77 0.23 0.00 -1.26 -5.05 105.19 108.89 2dk1 n GLY 46 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.12 2dk1 n GLY 46 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk1 s PRO 47 N -0.64 -0.18 0.19 1.61 0.04 -1.26 -4.98 135.00 129.78 2dk1 s PRO 47 Ca 0.00 -0.21 0.00 0.00 0.04 0.00 0.00 61.00 60.83 2dk1 s PRO 47 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 2dk1 s PRO 47 CO 0.00 -2.99 0.00 0.45 0.04 0.00 0.00 177.00 174.50 2dk1 n SER 48 N -4.22 -1.69 0.08 6.66 2.88 -1.26 -5.04 113.62 111.03 2dk1 n SER 48 Ca 0.14 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.27 2dk1 n SER 48 Cb 0.59 1.82 0.00 0.00 -0.75 0.00 0.00 64.21 65.88 2dk1 n SER 48 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2dk1 n SER 49 N -3.06 0.51 0.00 -3.46 7.64 -1.26 -5.33 113.62 108.67 2dk1 n SER 49 Ca 0.00 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2dk1 n SER 49 Cb 0.00 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64