#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 3.26 0.07 1.61 0.15 -1.26 -5.14 113.70 112.39 2dk1 s SER 2 Ca 0.00 -0.66 -0.23 0.00 0.70 0.00 0.00 55.95 55.76 2dk1 s SER 2 Cb 0.00 -0.26 0.06 0.00 -1.71 0.00 0.00 66.02 64.10 2dk1 s SER 2 CO 0.00 0.22 0.54 -0.94 1.20 0.00 0.00 173.24 174.26 2dk1 s SER 3 N -1.64 -0.47 0.00 5.45 1.04 -1.26 -5.15 113.70 111.67 2dk1 s SER 3 Ca 0.13 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.71 2dk1 s SER 3 Cb -0.10 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dk1 s SER 3 CO 0.04 -0.77 0.00 0.61 0.98 0.00 0.00 173.24 174.10 2dk1 n GLY 4 N 0.25 0.81 2.97 7.32 0.00 -1.26 -5.17 105.19 110.11 2dk1 n GLY 4 Ca -0.18 0.59 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 1.22 0.21 1.61 0.15 -1.26 -5.11 113.70 110.52 2dk1 s SER 5 Ca 0.00 -0.19 -0.28 0.00 0.70 0.00 0.00 55.95 56.19 2dk1 s SER 5 Cb 0.00 -0.48 -0.17 0.00 -1.71 0.00 0.00 66.02 63.66 2dk1 s SER 5 CO 0.00 0.01 0.50 -0.24 1.20 0.00 0.00 173.24 174.71 2dk1 n SER 6 N 3.67 -1.33 0.00 5.45 2.88 -1.26 -4.69 113.62 118.34 2dk1 n SER 6 Ca -0.22 1.11 0.00 0.00 -1.33 0.00 0.00 58.87 58.43 2dk1 n SER 6 Cb 0.52 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 63.04 2dk1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 7 N 2.02 1.50 2.73 0.46 0.00 -1.26 -4.26 105.19 106.38 2dk1 n GLY 7 Ca 0.18 -1.74 -0.30 0.00 0.00 0.00 0.00 46.02 44.16 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 -3.61 0.72 0.10 1.61 1.81 -1.26 -4.90 118.95 113.42 2dk1 s ARG 8 Ca 0.00 -1.01 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2dk1 s ARG 8 Cb 0.00 -1.99 -0.04 0.00 -0.45 0.00 0.00 34.95 32.47 2dk1 s ARG 8 CO 0.00 -0.95 -0.01 -1.58 -0.68 0.00 0.00 175.30 172.08 2dk1 s TRP 9 N 1.64 0.81 -0.04 -0.53 0.52 -1.26 -3.16 118.94 116.93 2dk1 s TRP 9 Ca 0.08 -1.07 -0.02 0.00 0.02 0.00 0.00 56.10 55.12 2dk1 s TRP 9 Cb -0.17 -0.49 0.03 0.00 -1.15 0.00 0.00 33.47 31.68 2dk1 s TRP 9 CO -0.24 -0.34 0.08 0.14 0.02 0.00 0.00 176.95 176.62 2dk1 s VAL 10 N -3.84 -0.04 -0.08 4.03 -7.23 -1.06 -4.94 120.40 107.23 2dk1 s VAL 10 Ca 0.16 0.15 -0.26 0.00 -1.81 0.00 0.00 61.98 60.22 2dk1 s VAL 10 Cb 0.07 -0.15 -0.03 0.00 0.56 0.00 0.00 36.38 36.83 2dk1 s VAL 10 CO -0.03 0.06 0.81 -0.70 -0.31 0.00 0.00 175.10 174.93 2dk1 s GLU 11 N 0.87 4.42 0.00 4.82 2.12 -1.26 -1.67 118.70 128.01 2dk1 s GLU 11 Ca -0.07 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.31 2dk1 s GLU 11 Cb -0.09 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.81 2dk1 s GLU 11 CO -0.03 -0.08 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2dk1 n GLY 12 N 3.16 5.25 3.26 -1.50 0.00 -0.21 -4.99 105.19 110.16 2dk1 n GLY 12 Ca 0.02 -0.84 -0.12 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 2.95 0.08 0.00 -0.61 -1.09 -1.26 -3.45 121.20 117.82 2dk1 s ILE 13 Ca 0.00 -0.65 0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2dk1 s ILE 13 Cb 0.00 -0.91 0.00 0.00 -1.58 0.00 0.00 42.46 39.97 2dk1 s ILE 13 CO 0.00 -0.36 0.00 0.35 -1.23 0.00 0.00 174.94 173.70 2dk1 n THR 14 N 0.63 0.00 0.00 2.92 -2.24 -0.26 -4.84 114.28 110.49 2dk1 n THR 14 Ca -0.19 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2dk1 n THR 14 Cb 0.59 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.16 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 -1.74 0.00 -0.37 3.42 7.64 -1.26 -2.99 113.62 118.31 2dk1 n SER 15 Ca 0.00 0.13 -0.10 0.00 1.01 0.00 0.00 58.87 59.91 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 -0.22 -0.39 0.00 1.43 1.02 -1.26 -4.75 120.64 116.47 2dk1 n GLU 16 Ca 0.00 1.35 0.00 0.00 -0.02 0.00 0.00 57.16 58.49 2dk1 n GLU 16 Cb 0.00 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.43 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dk1 n GLY 17 N -1.22 0.00 3.81 0.62 0.00 -1.16 -5.15 105.19 102.08 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 3.55 -0.58 1.61 2.02 -1.26 -4.77 117.35 117.92 2dk1 s TYR 18 Ca 0.00 0.56 -0.27 0.00 -0.37 0.00 0.00 57.07 56.99 2dk1 s TYR 18 Cb 0.00 -2.12 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 2dk1 s TYR 18 CO 0.00 0.52 1.59 -1.01 -1.57 0.00 0.00 175.55 175.08 2dk1 s HIS 19 N -0.41 2.02 0.35 2.71 3.76 -1.26 -1.10 115.29 121.35 2dk1 s HIS 19 Ca 0.15 0.53 0.08 0.00 -0.15 0.00 0.00 55.06 55.67 2dk1 s HIS 19 Cb -0.13 -4.29 -0.04 0.00 1.11 0.00 0.00 32.58 29.23 2dk1 s HIS 19 CO 0.04 -2.21 0.13 1.52 -0.85 0.00 0.00 174.74 173.37 2dk1 s TYR 20 N 7.16 2.68 -0.12 1.40 1.13 -1.22 -4.92 117.35 123.45 2dk1 s TYR 20 Ca 0.58 -0.41 0.02 0.00 -1.41 0.00 0.00 57.07 55.85 2dk1 s TYR 20 Cb -0.12 -1.64 -0.01 0.00 -1.10 0.00 0.00 41.96 39.09 2dk1 s TYR 20 CO 0.23 0.34 -0.18 0.71 -2.51 0.00 0.00 175.55 174.15 2dk1 s TYR 21 N -2.45 2.71 0.42 -3.49 2.02 -1.15 -1.04 117.35 114.35 2dk1 s TYR 21 Ca 0.38 -0.86 0.08 0.00 -0.37 0.00 0.00 57.07 56.29 2dk1 s TYR 21 Cb -0.02 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.74 2dk1 s TYR 21 CO 0.22 -0.33 0.48 -0.47 -1.57 0.00 0.00 175.55 173.89 2dk1 s TYR 22 N 0.40 2.78 -0.11 2.71 5.04 -0.67 -2.64 117.35 124.86 2dk1 s TYR 22 Ca -0.13 -0.43 0.01 0.00 -2.44 0.00 0.00 57.07 54.07 2dk1 s TYR 22 Cb -0.17 -2.28 0.02 0.00 0.35 0.00 0.00 41.96 39.88 2dk1 s TYR 22 CO 0.06 -0.28 -0.13 0.34 -1.34 0.00 0.00 175.55 174.20 2dk1 s ASP 23 N -4.25 2.32 -0.03 4.32 -1.08 -0.09 -2.56 116.67 115.31 2dk1 s ASP 23 Ca 0.52 -0.39 0.14 0.00 -0.52 0.00 0.00 52.55 52.30 2dk1 s ASP 23 Cb -0.07 -1.02 -0.21 0.00 -1.46 0.00 0.00 42.92 40.17 2dk1 s ASP 23 CO 0.31 -0.02 0.66 0.00 0.52 0.00 0.00 175.17 176.64 2dk1 n LEU 24 N 4.36 0.79 -0.11 -1.34 -0.00 -1.19 -2.48 117.00 117.04 2dk1 n LEU 24 Ca -0.18 0.37 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.51 0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.22 0.32 0.39 -0.38 -0.00 0.00 0.00 177.39 177.94 2dk1 n ILE 25 N -2.97 -0.18 0.00 1.47 -0.00 -1.26 -4.07 119.36 112.36 2dk1 n ILE 25 Ca -0.16 1.42 0.00 0.00 -0.00 0.00 0.00 62.75 64.01 2dk1 n ILE 25 Cb 0.99 -1.83 0.00 0.00 -0.00 0.00 0.00 39.64 38.81 2dk1 n ILE 25 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.55 176.31 2dk1 n SER 26 N -3.51 3.98 0.00 4.38 2.88 -1.26 -5.04 113.62 115.04 2dk1 n SER 26 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2dk1 n SER 26 Cb 0.07 0.11 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2dk1 n SER 26 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 27 N 3.25 0.51 3.98 0.46 0.00 -1.03 -5.11 105.19 107.24 2dk1 n GLY 27 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.69 3.62 -0.06 4.61 0.00 -1.17 -4.86 121.76 123.22 2dk1 s ALA 28 Ca 0.00 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.31 2dk1 s ALA 28 Cb 0.00 -2.14 0.03 0.00 0.00 0.00 0.00 23.12 21.01 2dk1 s ALA 28 CO 0.00 -1.28 0.37 0.45 0.00 0.00 0.00 175.76 175.30 2dk1 s SER 29 N -4.63 -0.31 -0.12 0.00 0.15 -1.26 -0.91 113.70 106.62 2dk1 s SER 29 Ca 0.63 0.38 -0.30 0.00 0.70 0.00 0.00 55.95 57.36 2dk1 s SER 29 Cb -0.07 0.49 0.09 0.00 -1.71 0.00 0.00 66.02 64.82 2dk1 s SER 29 CO 0.43 -0.36 0.80 -1.58 1.20 0.00 0.00 173.24 173.73 2dk1 s GLN 30 N -0.82 0.86 -0.12 5.44 0.74 -1.08 -5.03 119.66 119.65 2dk1 s GLN 30 Ca -0.09 0.33 -0.12 0.00 0.05 0.00 0.00 55.36 55.53 2dk1 s GLN 30 Cb -0.04 0.41 -0.11 0.00 1.10 0.00 0.00 33.01 34.37 2dk1 s GLN 30 CO 0.04 -0.25 0.29 -1.49 -0.55 0.00 0.00 175.29 173.33 2dk1 h TRP 31 N 3.16 0.00 -2.66 1.67 -0.00 -1.96 -3.05 115.95 113.11 2dk1 h TRP 31 Ca -0.25 0.00 -0.46 0.00 -0.00 0.00 0.00 58.89 58.19 2dk1 h TRP 31 Cb 1.15 0.00 0.23 0.00 -0.00 0.00 0.00 29.16 30.54 2dk1 h TRP 31 CO 0.35 0.43 -0.74 0.39 -0.00 0.00 0.00 178.44 178.87 2dk1 n GLU 32 N -4.70 -1.75 -3.35 0.49 1.02 -1.26 -4.54 120.64 106.56 2dk1 n GLU 32 Ca -0.05 -0.49 -0.39 0.00 -0.02 0.00 0.00 57.16 56.21 2dk1 n GLU 32 Cb 0.22 -1.85 -0.08 0.00 -0.02 0.00 0.00 31.44 29.70 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 -3.74 4.05 0.12 3.49 2.20 -1.26 -4.82 119.74 119.78 2dk1 s LYS 33 Ca 0.60 0.13 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 2dk1 s LYS 33 Cb -0.16 -3.64 -0.07 0.00 -1.51 0.00 0.00 37.83 32.45 2dk1 s LYS 33 CO 0.66 -0.26 1.14 -1.25 -0.36 0.00 0.00 175.35 175.28 2dk1 s PRO 34 N 2.01 4.51 -0.59 4.03 0.04 -1.26 -4.89 135.00 138.85 2dk1 s PRO 34 Ca 0.17 1.74 -0.35 0.00 0.04 0.00 0.00 61.00 62.59 2dk1 s PRO 34 Cb -0.16 -3.31 -0.16 0.00 0.04 0.00 0.00 34.50 30.91 2dk1 s PRO 34 CO 0.09 -0.09 2.35 -0.85 0.04 0.00 0.00 177.00 178.55 2dk1 n GLU 35 N 3.12 0.47 0.00 4.56 0.28 -1.26 -1.55 120.64 126.26 2dk1 n GLU 35 Ca 0.06 0.09 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 2dk1 n GLU 35 Cb 0.46 -2.05 0.00 0.00 1.43 0.00 0.00 31.44 31.28 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dk1 n GLY 36 N 6.72 3.31 3.26 -1.84 0.00 -1.26 -4.79 105.19 110.59 2dk1 n GLY 36 Ca 0.52 -0.50 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.73 -3.28 1.61 7.35 -0.60 -4.70 117.46 115.11 2dk1 n PHE 37 Ca 0.00 0.30 -0.07 0.00 -0.76 0.00 0.00 57.45 56.92 2dk1 n PHE 37 Cb 0.00 -1.71 -0.04 0.00 0.35 0.00 0.00 39.48 38.08 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 -1.85 0.68 -0.20 -4.13 -1.52 -1.26 -4.99 119.66 106.39 2dk1 s GLN 38 Ca 0.56 -0.39 -0.17 0.00 -1.95 0.00 0.00 55.36 53.41 2dk1 s GLN 38 Cb -0.37 -0.27 -0.07 0.00 -0.22 0.00 0.00 33.01 32.08 2dk1 s GLN 38 CO 0.67 -1.16 -0.32 0.41 -0.25 0.00 0.00 175.29 174.64 2dk1 n GLY 39 N 4.54 -0.57 3.64 3.09 0.00 -1.26 -5.10 105.19 109.53 2dk1 n GLY 39 Ca 0.09 -0.27 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2dk1 n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dk1 s ASP 40 N -6.21 -0.03 0.00 1.61 2.15 -1.26 -5.11 116.67 107.82 2dk1 s ASP 40 Ca -0.30 0.01 0.00 0.00 0.43 0.00 0.00 52.55 52.70 2dk1 s ASP 40 Cb 0.06 0.03 0.00 0.00 -0.30 0.00 0.00 42.92 42.71 2dk1 s ASP 40 CO 0.43 -0.05 0.00 -0.11 -0.17 0.00 0.00 175.17 175.27 2dk1 n LEU 41 N 0.15 0.00 -4.08 -1.34 7.94 -1.26 -5.13 117.00 113.29 2dk1 n LEU 41 Ca 0.03 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.68 2dk1 n LEU 41 Cb 0.57 0.33 -0.16 0.00 0.53 0.00 0.00 43.42 44.69 2dk1 n LEU 41 CO 0.08 -0.33 -0.49 -0.54 -1.11 0.00 0.00 177.39 175.00 2dk1 s LYS 42 N -0.87 1.80 0.47 1.96 1.02 -1.26 -5.14 119.74 117.72 2dk1 s LYS 42 Ca 0.00 -0.51 -0.07 0.00 0.02 0.00 0.00 55.97 55.41 2dk1 s LYS 42 Cb 0.00 -1.50 -0.04 0.00 -0.52 0.00 0.00 37.83 35.77 2dk1 s LYS 42 CO 0.00 0.12 0.80 -1.59 -0.92 0.00 0.00 175.35 173.76 2dk1 s LYS 43 N 0.39 3.61 -0.06 1.68 -2.85 -1.26 -4.60 119.74 116.64 2dk1 s LYS 43 Ca -0.11 0.30 -0.05 0.00 -1.00 0.00 0.00 55.97 55.12 2dk1 s LYS 43 Cb -0.14 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 33.28 2dk1 s LYS 43 CO 0.03 -0.19 0.08 2.41 0.10 0.00 0.00 175.35 177.78 2dk1 n THR 44 N -2.05 -2.43 -2.88 3.79 -1.04 -1.26 -4.88 114.28 103.53 2dk1 n THR 44 Ca 0.01 0.48 -0.38 0.00 -2.04 0.00 0.00 64.05 62.12 2dk1 n THR 44 Cb 0.55 -3.15 -0.06 0.00 -1.82 0.00 0.00 70.33 65.85 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2dk1 s SER 45 N -1.07 7.37 -0.32 8.00 0.01 -1.26 -5.03 113.70 121.39 2dk1 s SER 45 Ca 0.04 1.74 -0.01 0.00 1.31 0.00 0.00 55.95 59.03 2dk1 s SER 45 Cb -0.00 -2.54 0.19 0.00 0.21 0.00 0.00 66.02 63.88 2dk1 s SER 45 CO 0.12 0.07 0.79 -0.83 0.41 0.00 0.00 173.24 173.80 2dk1 s GLY 46 N -1.42 -1.20 -0.99 3.44 0.00 -1.26 -5.09 107.32 100.81 2dk1 s GLY 46 Ca 0.43 1.26 -0.23 0.00 0.00 0.00 0.00 44.72 46.18 2dk1 s GLY 46 CO 0.26 3.89 1.70 2.56 0.00 0.00 0.00 173.10 181.51 2dk1 s PRO 47 N 2.59 3.11 0.09 2.90 0.04 -1.26 -3.93 135.00 138.53 2dk1 s PRO 47 Ca 0.17 -0.79 0.00 0.00 0.04 0.00 0.00 61.00 60.42 2dk1 s PRO 47 Cb -0.05 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.26 2dk1 s PRO 47 CO -0.20 -2.80 0.00 0.45 0.04 0.00 0.00 177.00 174.49 2dk1 n SER 48 N 11.33 -0.82 -2.51 6.66 2.88 -1.26 -5.13 113.62 124.78 2dk1 n SER 48 Ca 0.37 0.17 -0.05 0.00 -1.33 0.00 0.00 58.87 58.04 2dk1 n SER 48 Cb 0.49 1.16 -0.04 0.00 -0.75 0.00 0.00 64.21 65.07 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 -2.68 -2.00 0.00 -3.46 2.88 -1.25 -5.36 113.62 101.75 2dk1 n SER 49 Ca 0.00 1.41 0.00 0.00 -1.33 0.00 0.00 58.87 58.95 2dk1 n SER 49 Cb 0.00 -5.14 0.00 0.00 -0.75 0.00 0.00 64.21 58.32 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42