#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk1 n SER 2 N 0.00 1.90 -4.32 1.61 7.64 -1.26 -4.77 113.62 114.42 2dk1 n SER 2 Ca 0.00 0.42 -0.46 0.00 1.01 0.00 0.00 58.87 59.84 2dk1 n SER 2 Cb 0.00 -0.80 -0.02 0.00 -1.01 0.00 0.00 64.21 62.38 2dk1 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk1 s SER 3 N -6.10 6.73 -0.78 6.43 0.01 -1.26 -4.97 113.70 113.76 2dk1 s SER 3 Ca -0.26 -2.75 -0.05 0.00 1.31 0.00 0.00 55.95 54.20 2dk1 s SER 3 Cb 0.05 -2.20 0.20 0.00 0.21 0.00 0.00 66.02 64.28 2dk1 s SER 3 CO 0.39 -0.55 0.65 -0.83 0.41 0.00 0.00 173.24 173.31 2dk1 s GLY 4 N 2.05 2.76 0.23 3.44 0.00 -1.26 -4.64 107.32 109.90 2dk1 s GLY 4 Ca 0.19 -3.50 0.00 0.00 0.00 0.00 0.00 44.72 41.41 2dk1 s GLY 4 CO -0.09 1.18 0.00 1.44 0.00 0.00 0.00 173.10 175.63 2dk1 n SER 5 N 3.18 -2.10 -4.67 1.64 7.64 -1.25 -4.39 113.62 113.66 2dk1 n SER 5 Ca 0.14 0.51 -0.46 0.00 1.01 0.00 0.00 58.87 60.07 2dk1 n SER 5 Cb 0.39 2.16 -0.04 0.00 -1.01 0.00 0.00 64.21 65.71 2dk1 n SER 5 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2dk1 n SER 6 N -2.95 3.17 0.00 6.43 3.41 -1.26 -4.48 113.62 117.94 2dk1 n SER 6 Ca 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 2dk1 n SER 6 Cb 0.00 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.53 2dk1 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk1 n GLY 7 N 3.62 2.66 2.74 5.00 0.00 -1.26 -4.69 105.19 113.26 2dk1 n GLY 7 Ca 0.18 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 2dk1 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dk1 s ARG 8 N -2.00 0.74 0.24 1.61 1.81 -1.26 -4.89 118.95 115.20 2dk1 s ARG 8 Ca 0.00 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2dk1 s ARG 8 Cb 0.00 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2dk1 s ARG 8 CO 0.00 -0.93 0.13 -1.58 -0.68 0.00 0.00 175.30 172.24 2dk1 s TRP 9 N 1.64 1.38 -0.13 -0.53 0.52 -1.26 -3.06 118.94 117.49 2dk1 s TRP 9 Ca 0.08 -1.32 -0.07 0.00 0.02 0.00 0.00 56.10 54.81 2dk1 s TRP 9 Cb -0.17 -0.73 0.05 0.00 -1.15 0.00 0.00 33.47 31.47 2dk1 s TRP 9 CO -0.22 -0.52 0.31 0.14 0.02 0.00 0.00 176.95 176.67 2dk1 s VAL 10 N -3.92 -0.03 -0.02 4.03 -7.23 -1.06 -4.95 120.40 107.22 2dk1 s VAL 10 Ca 0.38 0.13 -0.24 0.00 -1.81 0.00 0.00 61.98 60.44 2dk1 s VAL 10 Cb 0.07 -0.47 -0.04 0.00 0.56 0.00 0.00 36.38 36.50 2dk1 s VAL 10 CO 0.14 0.05 0.74 -0.70 -0.31 0.00 0.00 175.10 175.02 2dk1 s GLU 11 N 1.31 4.46 0.00 4.82 2.12 -1.26 -2.27 118.70 127.88 2dk1 s GLU 11 Ca -0.09 0.99 0.00 0.00 0.36 0.00 0.00 54.97 56.22 2dk1 s GLU 11 Cb -0.10 -3.41 0.00 0.00 0.26 0.00 0.00 34.13 30.88 2dk1 s GLU 11 CO -0.10 0.15 0.00 0.41 -0.54 0.00 0.00 175.26 175.18 2dk1 n GLY 12 N 2.80 5.48 3.25 -1.50 0.00 -0.67 -5.01 105.19 109.54 2dk1 n GLY 12 Ca -0.01 -0.83 -0.10 0.00 0.00 0.00 0.00 46.02 45.08 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 1.72 0.10 0.00 -0.61 -1.09 -1.26 -3.46 121.20 116.60 2dk1 s ILE 13 Ca 0.00 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.57 2dk1 s ILE 13 Cb 0.00 -1.13 0.00 0.00 -1.58 0.00 0.00 42.46 39.75 2dk1 s ILE 13 CO 0.00 -0.47 0.00 0.35 -1.23 0.00 0.00 174.94 173.59 2dk1 n THR 14 N 0.17 0.00 0.00 2.92 -2.24 -0.59 -4.85 114.28 109.68 2dk1 n THR 14 Ca -0.17 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 2dk1 n THR 14 Cb 0.61 -0.37 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 2dk1 n THR 14 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2dk1 n SER 15 N -1.32 0.00 -0.36 3.42 7.64 -1.26 -2.88 113.62 118.86 2dk1 n SER 15 Ca 0.00 0.08 -0.09 0.00 1.01 0.00 0.00 58.87 59.87 2dk1 n SER 15 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2dk1 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dk1 n GLU 16 N -0.15 -0.38 0.00 1.43 -0.58 -1.26 -4.75 120.64 114.96 2dk1 n GLU 16 Ca 0.00 1.31 0.00 0.00 -0.42 0.00 0.00 57.16 58.05 2dk1 n GLU 16 Cb 0.00 -1.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.95 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dk1 n GLY 17 N -1.21 0.00 3.81 0.62 0.00 -1.14 -5.15 105.19 102.11 2dk1 n GLY 17 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 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 3.58 -0.71 1.61 2.02 -1.26 -4.78 117.35 117.81 2dk1 s TYR 18 Ca 0.00 0.66 -0.27 0.00 -0.37 0.00 0.00 57.07 57.09 2dk1 s TYR 18 Cb 0.00 -2.17 0.01 0.00 -0.40 0.00 0.00 41.96 39.40 2dk1 s TYR 18 CO 0.00 0.52 1.50 -1.01 -1.57 0.00 0.00 175.55 174.99 2dk1 s HIS 19 N -0.47 2.07 0.35 2.71 3.76 -1.26 -1.55 115.29 120.91 2dk1 s HIS 19 Ca 0.17 0.22 0.07 0.00 -0.15 0.00 0.00 55.06 55.38 2dk1 s HIS 19 Cb -0.13 -4.44 -0.02 0.00 1.11 0.00 0.00 32.58 29.10 2dk1 s HIS 19 CO 0.06 -2.15 0.33 1.52 -0.85 0.00 0.00 174.74 173.65 2dk1 s TYR 20 N 6.94 2.88 -0.06 1.40 1.13 -1.23 -4.91 117.35 123.51 2dk1 s TYR 20 Ca 0.47 -0.33 0.05 0.00 -1.41 0.00 0.00 57.07 55.85 2dk1 s TYR 20 Cb -0.09 -1.89 -0.00 0.00 -1.10 0.00 0.00 41.96 38.88 2dk1 s TYR 20 CO 0.16 0.11 -0.22 0.71 -2.51 0.00 0.00 175.55 173.80 2dk1 s TYR 21 N -2.33 2.18 0.39 -3.49 2.02 -1.16 -1.67 117.35 113.31 2dk1 s TYR 21 Ca 0.43 -0.71 0.08 0.00 -0.37 0.00 0.00 57.07 56.49 2dk1 s TYR 21 Cb -0.06 -1.45 -0.04 0.00 -0.40 0.00 0.00 41.96 40.01 2dk1 s TYR 21 CO 0.27 -0.25 0.23 -0.47 -1.57 0.00 0.00 175.55 173.77 2dk1 s TYR 22 N 0.06 2.67 -0.10 2.71 5.04 -0.96 -2.74 117.35 124.03 2dk1 s TYR 22 Ca -0.08 -0.50 0.02 0.00 -2.44 0.00 0.00 57.07 54.07 2dk1 s TYR 22 Cb -0.14 -1.94 0.01 0.00 0.35 0.00 0.00 41.96 40.24 2dk1 s TYR 22 CO 0.04 0.13 -0.15 -0.51 -1.34 0.00 0.00 175.55 173.72 2dk1 s ASP 23 N -3.96 2.34 0.02 4.32 1.01 -0.19 -2.58 116.67 117.63 2dk1 s ASP 23 Ca 0.42 -0.41 0.15 0.00 0.71 0.00 0.00 52.55 53.43 2dk1 s ASP 23 Cb -0.00 -1.05 -0.18 0.00 1.01 0.00 0.00 42.92 42.70 2dk1 s ASP 23 CO 0.24 0.02 0.75 0.00 0.21 0.00 0.00 175.17 176.40 2dk1 n LEU 24 N 4.10 0.86 -0.11 1.23 -0.00 -1.17 -2.46 117.00 119.45 2dk1 n LEU 24 Ca -0.20 0.39 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2dk1 n LEU 24 Cb 0.51 0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.02 2dk1 n LEU 24 CO 0.24 0.25 0.44 -0.38 -0.00 0.00 0.00 177.39 177.94 2dk1 n ILE 25 N -2.95 -0.17 0.00 1.47 -0.00 -1.26 -4.19 119.36 112.26 2dk1 n ILE 25 Ca -0.13 1.58 0.00 0.00 -0.00 0.00 0.00 62.75 64.20 2dk1 n ILE 25 Cb 0.93 -2.04 0.00 0.00 -0.00 0.00 0.00 39.64 38.53 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 -3.53 3.80 0.00 4.38 7.64 -1.26 -5.06 113.62 119.59 2dk1 n SER 26 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 2dk1 n SER 26 Cb 0.07 0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 3.21 0.34 4.00 0.23 0.00 -1.03 -5.10 105.19 106.84 2dk1 n GLY 27 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 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 4.29 -0.11 4.61 0.00 -1.18 -4.87 121.76 124.50 2dk1 s ALA 28 Ca 0.00 -1.58 -0.15 0.00 0.00 0.00 0.00 51.96 50.23 2dk1 s ALA 28 Cb 0.00 -1.79 0.04 0.00 0.00 0.00 0.00 23.12 21.36 2dk1 s ALA 28 CO 0.00 -0.52 0.39 -1.54 0.00 0.00 0.00 175.76 174.09 2dk1 s SER 29 N -4.41 -0.37 -0.06 0.00 1.04 -1.26 -1.02 113.70 107.62 2dk1 s SER 29 Ca 0.57 0.62 -0.30 0.00 0.48 0.00 0.00 55.95 57.32 2dk1 s SER 29 Cb -0.10 0.68 0.09 0.00 0.10 0.00 0.00 66.02 66.79 2dk1 s SER 29 CO 0.36 -0.24 0.80 -1.58 0.98 0.00 0.00 173.24 173.56 2dk1 s GLN 30 N -0.24 0.90 -0.11 4.02 0.74 -1.11 -5.05 119.66 118.82 2dk1 s GLN 30 Ca -0.04 0.09 -0.05 0.00 0.05 0.00 0.00 55.36 55.41 2dk1 s GLN 30 Cb -0.03 0.42 -0.05 0.00 1.10 0.00 0.00 33.01 34.45 2dk1 s GLN 30 CO 0.02 -0.31 0.15 -1.49 -0.55 0.00 0.00 175.29 173.11 2dk1 h TRP 31 N 2.66 -0.01 -2.78 1.67 -0.00 -1.95 -3.06 115.95 112.47 2dk1 h TRP 31 Ca -0.24 -0.00 -0.47 0.00 -0.00 0.00 0.00 58.89 58.18 2dk1 h TRP 31 Cb 1.17 0.00 0.23 0.00 -0.00 0.00 0.00 29.16 30.56 2dk1 h TRP 31 CO 0.32 0.17 -0.74 0.39 -0.00 0.00 0.00 178.44 178.58 2dk1 n GLU 32 N -4.76 -1.42 -3.41 0.49 1.02 -1.26 -4.56 120.64 106.73 2dk1 n GLU 32 Ca -0.02 -0.39 -0.38 0.00 -0.02 0.00 0.00 57.16 56.36 2dk1 n GLU 32 Cb 0.09 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 29.60 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 -3.69 4.21 0.47 3.49 2.20 -1.26 -4.83 119.74 120.32 2dk1 s LYS 33 Ca 0.59 0.20 -0.21 0.00 -0.36 0.00 0.00 55.97 56.19 2dk1 s LYS 33 Cb -0.17 -3.50 -0.09 0.00 -1.51 0.00 0.00 37.83 32.57 2dk1 s LYS 33 CO 0.66 0.04 1.04 -1.25 -0.36 0.00 0.00 175.35 175.48 2dk1 s PRO 34 N 1.05 3.86 -0.49 4.03 0.04 -1.26 -4.91 135.00 137.33 2dk1 s PRO 34 Ca 0.19 1.38 -0.26 0.00 0.04 0.00 0.00 61.00 62.35 2dk1 s PRO 34 Cb -0.14 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 2dk1 s PRO 34 CO 0.07 -0.38 2.38 -1.83 0.04 0.00 0.00 177.00 177.28 2dk1 s GLU 35 N -3.12 2.15 0.00 4.56 -1.05 -1.26 -2.65 118.70 117.34 2dk1 s GLU 35 Ca 0.66 1.39 0.00 0.00 -0.15 0.00 0.00 54.97 56.87 2dk1 s GLU 35 Cb -0.17 -4.57 0.00 0.00 -0.44 0.00 0.00 34.13 28.95 2dk1 s GLU 35 CO 0.21 -3.22 0.00 0.41 0.95 0.00 0.00 175.26 173.61 2dk1 n GLY 36 N 5.98 1.60 2.89 -3.83 0.00 -1.26 -3.86 105.19 106.71 2dk1 n GLY 36 Ca 0.36 -0.13 -0.38 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.58 -3.40 1.61 7.35 -1.08 -4.57 117.46 115.79 2dk1 n PHE 37 Ca 0.00 0.60 -0.27 0.00 -0.76 0.00 0.00 57.45 57.02 2dk1 n PHE 37 Cb 0.00 -1.58 -0.10 0.00 0.35 0.00 0.00 39.48 38.15 2dk1 n PHE 37 CO 0.00 0.00 0.00 -0.65 -0.76 0.00 0.00 176.76 175.35 2dk1 s GLN 38 N -0.87 0.84 0.08 -4.13 -0.21 -1.26 -4.99 119.66 109.12 2dk1 s GLN 38 Ca 0.52 -1.96 -0.28 0.00 0.02 0.00 0.00 55.36 53.66 2dk1 s GLN 38 Cb -0.60 -1.38 -0.12 0.00 1.00 0.00 0.00 33.01 31.91 2dk1 s GLN 38 CO 0.54 -1.36 1.44 0.78 -2.12 0.00 0.00 175.29 174.57 2dk1 h GLY 39 N 5.86 -1.18 -1.20 3.09 0.00 -2.01 -3.42 103.07 104.22 2dk1 h GLY 39 Ca 0.23 0.61 -0.49 0.00 0.00 0.00 0.00 47.33 47.68 2dk1 h GLY 39 CO 0.35 -0.32 0.22 -0.35 0.00 0.00 0.00 176.54 176.44 2dk1 s ASP 40 N -4.17 3.13 0.04 0.19 2.15 -1.26 -5.04 116.67 111.72 2dk1 s ASP 40 Ca -0.13 1.78 0.09 0.00 0.43 0.00 0.00 52.55 54.72 2dk1 s ASP 40 Cb 0.05 -2.39 -0.03 0.00 -0.30 0.00 0.00 42.92 40.25 2dk1 s ASP 40 CO 0.49 -2.90 -0.25 -0.22 -0.17 0.00 0.00 175.17 172.12 2dk1 s LEU 41 N -6.43 2.17 0.26 -1.34 2.96 -1.26 -5.05 118.68 109.98 2dk1 s LEU 41 Ca 0.65 -0.57 0.00 0.00 -0.22 0.00 0.00 54.13 53.98 2dk1 s LEU 41 Cb -0.20 -1.20 0.00 0.00 0.50 0.00 0.00 46.19 45.28 2dk1 s LEU 41 CO 0.58 0.23 0.00 0.29 -1.32 0.00 0.00 176.35 176.14 2dk1 n LYS 42 N 1.80 -2.05 -3.16 1.98 5.02 -1.26 -4.97 118.16 115.52 2dk1 n LYS 42 Ca -0.17 1.41 -0.15 0.00 -2.02 0.00 0.00 58.31 57.38 2dk1 n LYS 42 Cb 0.52 -2.49 0.01 0.00 -0.02 0.00 0.00 35.03 33.06 2dk1 n LYS 42 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2dk1 n LYS 43 N -3.38 -1.94 -0.04 1.97 4.76 -1.26 -4.98 118.16 113.29 2dk1 n LYS 43 Ca -0.00 1.66 -0.09 0.00 -2.87 0.00 0.00 58.31 57.01 2dk1 n LYS 43 Cb 0.46 -4.51 -0.03 0.00 -1.84 0.00 0.00 35.03 29.11 2dk1 n LYS 43 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2dk1 n THR 44 N -0.90 1.21 0.00 -0.18 -1.04 -1.26 -4.98 114.28 107.13 2dk1 n THR 44 Ca -0.01 0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 2dk1 n THR 44 Cb 0.55 -1.92 0.00 0.00 -1.82 0.00 0.00 70.33 67.14 2dk1 n THR 44 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2dk1 n SER 45 N -3.93 0.00 -0.38 8.00 7.64 -1.26 -4.90 113.62 118.80 2dk1 n SER 45 Ca -0.15 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.74 2dk1 n SER 45 Cb 0.43 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.63 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 0.00 -1.76 3.76 0.23 0.00 -1.26 -4.91 105.19 101.25 2dk1 n GLY 46 Ca 0.00 -1.29 -0.30 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.22 -0.59 0.28 1.61 0.04 -1.26 -5.02 135.00 129.85 2dk1 s PRO 47 Ca 0.00 -0.36 0.00 0.00 0.04 0.00 0.00 61.00 60.68 2dk1 s PRO 47 Cb 0.00 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2dk1 s PRO 47 CO 0.00 -3.24 0.00 0.45 0.04 0.00 0.00 177.00 174.25 2dk1 n SER 48 N -4.37 -2.38 -0.05 6.66 2.88 -1.26 -5.02 113.62 110.08 2dk1 n SER 48 Ca 0.16 0.54 -0.10 0.00 -1.33 0.00 0.00 58.87 58.14 2dk1 n SER 48 Cb 0.59 2.39 -0.03 0.00 -0.75 0.00 0.00 64.21 66.41 2dk1 n SER 48 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2dk1 n SER 49 N -3.10 1.56 0.00 -3.46 2.88 -1.26 -5.35 113.62 104.89 2dk1 n SER 49 Ca 0.00 0.25 0.00 0.00 -1.33 0.00 0.00 58.87 57.79 2dk1 n SER 49 Cb 0.00 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42