#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk1 h SER 2 N 0.00 0.00 0.00 1.61 0.02 -1.94 -3.47 113.55 109.77 2dk1 h SER 2 Ca 0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 2dk1 h SER 2 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2dk1 h SER 2 CO 0.00 1.00 0.00 -1.20 -1.14 0.00 0.00 176.83 175.49 2dk1 n SER 3 N -4.60 0.00 -3.72 3.07 7.64 -1.26 -4.67 113.62 110.08 2dk1 n SER 3 Ca -0.13 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.61 2dk1 n SER 3 Cb 0.42 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.55 2dk1 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk1 s GLY 4 N 0.00 1.43 -0.45 0.23 0.00 -1.26 -5.01 107.32 102.27 2dk1 s GLY 4 Ca 0.00 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.00 2dk1 s GLY 4 CO 0.00 -1.13 0.61 1.44 0.00 0.00 0.00 173.10 174.02 2dk1 n SER 5 N -0.87 -7.76 -4.76 1.64 7.64 -1.26 -4.93 113.62 103.32 2dk1 n SER 5 Ca 0.02 0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.99 2dk1 n SER 5 Cb 0.63 -5.10 0.02 0.00 -1.01 0.00 0.00 64.21 58.75 2dk1 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk1 s SER 6 N -2.54 5.51 0.05 6.43 1.04 -1.26 -4.81 113.70 118.12 2dk1 s SER 6 Ca 0.25 2.40 0.01 0.00 0.48 0.00 0.00 55.95 59.08 2dk1 s SER 6 Cb -0.06 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.42 2dk1 s SER 6 CO 0.78 -1.37 -0.05 -0.83 0.98 0.00 0.00 173.24 172.75 2dk1 s GLY 7 N -1.46 0.49 -0.29 7.32 0.00 -1.26 -5.03 107.32 107.09 2dk1 s GLY 7 Ca 0.73 -1.00 -0.01 0.00 0.00 0.00 0.00 44.72 44.43 2dk1 s GLY 7 CO 0.35 -1.09 0.09 0.50 0.00 0.00 0.00 173.10 172.94 2dk1 s ARG 8 N -2.83 0.73 0.12 2.90 1.81 -1.26 -4.87 118.95 115.56 2dk1 s ARG 8 Ca -0.01 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 2dk1 s ARG 8 Cb -0.01 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 2dk1 s ARG 8 CO -0.04 -0.93 -0.00 -1.58 -0.68 0.00 0.00 175.30 172.06 2dk1 s TRP 9 N 1.64 0.92 -0.10 -0.53 0.52 -1.26 -3.22 118.94 116.91 2dk1 s TRP 9 Ca 0.08 -1.07 -0.04 0.00 0.02 0.00 0.00 56.10 55.09 2dk1 s TRP 9 Cb -0.17 -0.54 0.05 0.00 -1.15 0.00 0.00 33.47 31.66 2dk1 s TRP 9 CO -0.23 -0.32 0.21 0.14 0.02 0.00 0.00 176.95 176.77 2dk1 s VAL 10 N -3.81 -0.30 -0.26 4.03 -7.23 -0.66 -4.83 120.40 107.33 2dk1 s VAL 10 Ca 0.19 0.30 -0.24 0.00 -1.81 0.00 0.00 61.98 60.41 2dk1 s VAL 10 Cb 0.07 -0.36 -0.00 0.00 0.56 0.00 0.00 36.38 36.64 2dk1 s VAL 10 CO -0.01 0.13 0.81 -0.70 -0.31 0.00 0.00 175.10 175.02 2dk1 s GLU 11 N 2.21 4.12 0.00 4.82 2.12 -1.26 -1.44 118.70 129.27 2dk1 s GLU 11 Ca 0.01 0.83 0.00 0.00 0.36 0.00 0.00 54.97 56.17 2dk1 s GLU 11 Cb -0.12 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.60 2dk1 s GLU 11 CO -0.07 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 2dk1 n GLY 12 N 3.89 5.18 3.18 -1.50 0.00 0.73 -4.96 105.19 111.72 2dk1 n GLY 12 Ca 0.05 -1.60 -0.12 0.00 0.00 0.00 0.00 46.02 44.34 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 2.19 0.07 0.00 -0.61 -1.09 -1.26 -2.93 121.20 117.57 2dk1 s ILE 13 Ca 0.00 -0.58 0.00 0.00 -2.23 0.00 0.00 60.65 57.84 2dk1 s ILE 13 Cb 0.00 -0.54 0.00 0.00 -1.58 0.00 0.00 42.46 40.34 2dk1 s ILE 13 CO 0.00 -0.32 0.00 1.07 -1.23 0.00 0.00 174.94 174.46 2dk1 n THR 14 N 1.32 0.00 -1.11 2.92 5.66 -0.85 -4.91 114.28 117.31 2dk1 n THR 14 Ca -0.22 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.41 2dk1 n THR 14 Cb 0.56 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.33 2dk1 n THR 14 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dk1 n SER 15 N -1.35 -1.72 0.00 1.09 2.88 -1.26 -1.19 113.62 112.07 2dk1 n SER 15 Ca 0.00 0.79 0.00 0.00 -1.33 0.00 0.00 58.87 58.33 2dk1 n SER 15 Cb 0.00 -0.75 0.00 0.00 -0.75 0.00 0.00 64.21 62.71 2dk1 n SER 15 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2dk1 n GLU 16 N 0.97 0.00 0.00 -1.46 4.71 -1.26 -2.96 120.64 120.64 2dk1 n GLU 16 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.27 2dk1 n GLU 16 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 30.70 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2dk1 n GLY 17 N 0.00 0.00 3.64 0.62 0.00 -0.33 -5.13 105.19 103.99 2dk1 n GLY 17 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.30 -0.56 1.61 1.51 -1.16 -4.80 117.35 117.26 2dk1 s TYR 18 Ca 0.00 1.09 -0.28 0.00 -1.01 0.00 0.00 57.07 56.88 2dk1 s TYR 18 Cb 0.00 -3.06 0.01 0.00 -0.11 0.00 0.00 41.96 38.80 2dk1 s TYR 18 CO 0.00 -0.41 1.49 -1.01 -1.11 0.00 0.00 175.55 174.51 2dk1 s HIS 19 N 2.84 2.17 0.32 2.71 3.76 -1.26 -2.02 115.29 123.81 2dk1 s HIS 19 Ca 0.34 0.50 0.10 0.00 -0.15 0.00 0.00 55.06 55.85 2dk1 s HIS 19 Cb -0.15 -4.34 -0.06 0.00 1.11 0.00 0.00 32.58 29.14 2dk1 s HIS 19 CO 0.08 -2.10 -0.08 1.52 -0.85 0.00 0.00 174.74 173.31 2dk1 s TYR 20 N 6.49 2.44 -0.09 1.40 -0.85 -1.15 -4.88 117.35 120.71 2dk1 s TYR 20 Ca 0.56 -0.41 0.04 0.00 -0.52 0.00 0.00 57.07 56.73 2dk1 s TYR 20 Cb -0.12 -1.30 0.00 0.00 0.38 0.00 0.00 41.96 40.93 2dk1 s TYR 20 CO 0.25 0.59 -0.22 0.71 -1.52 0.00 0.00 175.55 175.36 2dk1 s TYR 21 N -2.53 2.35 0.33 -3.49 1.51 -0.22 -0.19 117.35 115.11 2dk1 s TYR 21 Ca 0.32 -0.96 0.07 0.00 -1.01 0.00 0.00 57.07 55.50 2dk1 s TYR 21 Cb -0.01 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.22 2dk1 s TYR 21 CO 0.17 -0.40 0.27 -0.47 -1.11 0.00 0.00 175.55 174.01 2dk1 s TYR 22 N 0.42 2.90 -0.11 2.71 5.04 -0.52 -0.98 117.35 126.81 2dk1 s TYR 22 Ca -0.18 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.19 2dk1 s TYR 22 Cb -0.17 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.39 2dk1 s TYR 22 CO 0.08 0.23 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.78 2dk1 s ASP 23 N -3.97 2.96 -0.01 4.32 1.01 0.36 -1.65 116.67 119.69 2dk1 s ASP 23 Ca 0.40 -0.54 0.14 0.00 0.71 0.00 0.00 52.55 53.26 2dk1 s ASP 23 Cb -0.06 -1.36 -0.20 0.00 1.01 0.00 0.00 42.92 42.32 2dk1 s ASP 23 CO 0.26 0.13 0.69 0.00 0.21 0.00 0.00 175.17 176.46 2dk1 n LEU 24 N 3.68 0.83 -0.11 1.23 -0.00 -1.20 -2.43 117.00 119.01 2dk1 n LEU 24 Ca -0.20 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.53 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.27 0.30 0.41 -0.38 -0.00 0.00 0.00 177.39 178.00 2dk1 n ILE 25 N -2.97 -0.18 0.00 1.47 -0.00 -1.26 -4.11 119.36 112.31 2dk1 n ILE 25 Ca -0.15 1.48 0.00 0.00 -0.00 0.00 0.00 62.75 64.09 2dk1 n ILE 25 Cb 0.98 -1.92 0.00 0.00 -0.00 0.00 0.00 39.64 38.70 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 -3.52 3.96 0.00 4.38 7.64 -1.26 -5.05 113.62 119.77 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 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.38 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 3.24 0.33 4.00 0.23 0.00 -1.02 -5.10 105.19 106.87 2dk1 n GLY 27 Ca 0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 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 4.32 0.01 4.61 0.00 -1.10 -4.85 121.76 124.75 2dk1 s ALA 28 Ca 0.00 -1.52 -0.09 0.00 0.00 0.00 0.00 51.96 50.36 2dk1 s ALA 28 Cb 0.00 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.43 2dk1 s ALA 28 CO 0.00 -0.16 0.17 -1.54 0.00 0.00 0.00 175.76 174.23 2dk1 s SER 29 N -4.25 0.01 -0.04 0.00 1.04 -1.26 0.14 113.70 109.34 2dk1 s SER 29 Ca 0.49 -0.24 -0.30 0.00 0.48 0.00 0.00 55.95 56.38 2dk1 s SER 29 Cb -0.10 0.24 0.08 0.00 0.10 0.00 0.00 66.02 66.34 2dk1 s SER 29 CO 0.32 -0.44 0.71 -1.58 0.98 0.00 0.00 173.24 173.24 2dk1 s GLN 30 N -1.78 1.03 -0.12 4.02 0.74 -0.15 -5.00 119.66 118.39 2dk1 s GLN 30 Ca -0.11 0.15 -0.24 0.00 0.05 0.00 0.00 55.36 55.21 2dk1 s GLN 30 Cb -0.05 0.48 -0.22 0.00 1.10 0.00 0.00 33.01 34.33 2dk1 s GLN 30 CO 0.00 -0.34 0.71 -1.49 -0.55 0.00 0.00 175.29 173.62 2dk1 h TRP 31 N 2.82 -0.01 -3.27 1.67 -0.00 -1.91 -0.56 115.95 114.69 2dk1 h TRP 31 Ca -0.27 -0.00 -0.41 0.00 -0.00 0.00 0.00 58.89 58.21 2dk1 h TRP 31 Cb 1.16 0.00 0.20 0.00 -0.00 0.00 0.00 29.16 30.53 2dk1 h TRP 31 CO 0.35 0.79 -0.00 -2.00 -0.00 0.00 0.00 178.44 177.58 2dk1 s GLU 32 N -2.33 -1.75 0.01 0.49 2.12 -1.26 -4.38 118.70 111.60 2dk1 s GLU 32 Ca -0.16 0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.32 2dk1 s GLU 32 Cb -0.02 -1.50 -0.06 0.00 0.26 0.00 0.00 34.13 32.81 2dk1 s GLU 32 CO 0.59 -4.14 0.42 0.21 -0.54 0.00 0.00 175.26 171.80 2dk1 s LYS 33 N -4.97 3.93 0.12 4.30 2.20 -1.26 -4.54 119.74 119.52 2dk1 s LYS 33 Ca 0.69 0.43 -0.30 0.00 -0.36 0.00 0.00 55.97 56.43 2dk1 s LYS 33 Cb -0.16 -3.21 -0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2dk1 s LYS 33 CO 0.59 0.68 1.14 -1.25 -0.36 0.00 0.00 175.35 176.15 2dk1 s PRO 34 N -1.14 4.52 0.31 4.03 0.04 -1.26 -4.91 135.00 136.59 2dk1 s PRO 34 Ca 0.25 1.73 0.05 0.00 0.04 0.00 0.00 61.00 63.07 2dk1 s PRO 34 Cb -0.17 -3.31 0.84 0.00 0.04 0.00 0.00 34.50 31.90 2dk1 s PRO 34 CO 0.14 -0.08 1.53 -1.91 0.04 0.00 0.00 177.00 176.72 2dk1 n GLU 35 N 3.11 -0.07 -3.07 4.56 4.07 -1.26 -1.55 120.64 126.43 2dk1 n GLU 35 Ca 0.06 1.45 -0.44 0.00 -0.06 0.00 0.00 57.16 58.16 2dk1 n GLU 35 Cb 0.46 -2.34 0.01 0.00 -0.06 0.00 0.00 31.44 29.51 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk1 n GLY 36 N -1.45 4.69 3.68 8.31 0.00 -1.26 -4.97 105.19 114.18 2dk1 n GLY 36 Ca 0.25 -2.55 -0.29 0.00 0.00 0.00 0.00 46.02 43.43 2dk1 n GLY 36 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dk1 s PHE 37 N -1.73 2.30 -0.30 1.61 5.36 -0.60 -4.32 117.98 120.31 2dk1 s PHE 37 Ca 0.32 -0.76 -0.11 0.00 -0.96 0.00 0.00 56.93 55.43 2dk1 s PHE 37 Cb -0.01 -1.74 0.15 0.00 -0.34 0.00 0.00 43.02 41.09 2dk1 s PHE 37 CO 0.02 0.35 0.78 1.14 -1.46 0.00 0.00 175.22 176.06 2dk1 s GLN 38 N -3.78 0.46 -0.30 10.12 -2.07 -1.26 -5.00 119.66 117.82 2dk1 s GLN 38 Ca 0.26 1.09 -0.20 0.00 -1.82 0.00 0.00 55.36 54.70 2dk1 s GLN 38 Cb 0.07 0.65 0.20 0.00 -1.09 0.00 0.00 33.01 32.84 2dk1 s GLN 38 CO 0.14 -0.22 1.32 0.20 -1.32 0.00 0.00 175.29 175.41 2dk1 s GLY 39 N 2.74 0.35 -0.30 2.60 0.00 -1.26 -4.95 107.32 106.51 2dk1 s GLY 39 Ca -0.01 3.74 -0.15 0.00 0.00 0.00 0.00 44.72 48.29 2dk1 s GLY 39 CO -0.18 3.37 0.93 0.99 0.00 0.00 0.00 173.10 178.21 2dk1 s ASP 40 N 1.97 -0.63 0.00 1.64 1.11 -1.26 -5.00 116.67 114.49 2dk1 s ASP 40 Ca 0.00 0.92 0.00 0.00 0.18 0.00 0.00 52.55 53.65 2dk1 s ASP 40 Cb -0.00 1.56 0.00 0.00 1.07 0.00 0.00 42.92 45.55 2dk1 s ASP 40 CO -0.16 -0.13 0.00 -0.11 1.18 0.00 0.00 175.17 175.95 2dk1 n LEU 41 N 4.55 0.00 -3.59 1.23 7.94 -1.26 -4.59 117.00 121.28 2dk1 n LEU 41 Ca -0.13 0.00 -0.07 0.00 -1.11 0.00 0.00 56.01 54.70 2dk1 n LEU 41 Cb 0.54 0.00 -0.02 0.00 0.53 0.00 0.00 43.42 44.47 2dk1 n LEU 41 CO -0.02 0.00 0.65 -0.54 -1.11 0.00 0.00 177.39 176.37 2dk1 s LYS 42 N 0.00 1.05 0.07 1.96 -0.14 -1.26 -5.07 119.74 116.35 2dk1 s LYS 42 Ca 0.00 -0.48 -0.27 0.00 -1.36 0.00 0.00 55.97 53.86 2dk1 s LYS 42 Cb 0.00 0.43 -0.13 0.00 -1.68 0.00 0.00 37.83 36.45 2dk1 s LYS 42 CO 0.00 -0.47 1.42 0.87 -0.76 0.00 0.00 175.35 176.41 2dk1 h LYS 43 N 2.00 -0.72 -1.74 1.68 1.57 -1.98 -3.45 116.57 113.92 2dk1 h LYS 43 Ca -0.24 0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.65 2dk1 h LYS 43 Cb 1.25 0.16 -0.24 0.00 0.08 0.00 0.00 32.23 33.48 2dk1 h LYS 43 CO 0.30 -0.48 0.26 -0.08 -0.57 0.00 0.00 179.45 178.87 2dk1 s THR 44 N -5.15 0.00 -0.11 -0.16 -1.32 -1.26 -5.02 115.64 102.62 2dk1 s THR 44 Ca -0.13 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.25 2dk1 s THR 44 Cb 0.03 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.05 2dk1 s THR 44 CO 0.46 0.00 0.28 -0.55 -2.21 0.00 0.00 174.62 172.60 2dk1 s SER 45 N 1.10 -0.30 0.00 8.08 0.15 -1.26 -5.10 113.70 116.37 2dk1 s SER 45 Ca -0.06 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2dk1 s SER 45 Cb -0.04 0.57 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2dk1 s SER 45 CO -0.13 -0.11 0.00 0.61 1.20 0.00 0.00 173.24 174.81 2dk1 n GLY 46 N 3.13 -1.92 3.23 9.45 0.00 -1.26 -4.72 105.19 113.09 2dk1 n GLY 46 Ca -0.15 -2.09 -0.39 0.00 0.00 0.00 0.00 46.02 43.39 2dk1 n GLY 46 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk1 n PRO 47 N -0.01 2.27 -3.22 1.61 -0.04 -1.26 -4.71 135.00 129.65 2dk1 n PRO 47 Ca 0.00 -2.52 -0.01 0.00 -0.04 0.00 0.00 63.50 60.93 2dk1 n PRO 47 Cb 0.00 -3.33 -0.02 0.00 -0.04 0.00 0.00 33.50 30.10 2dk1 n PRO 47 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2dk1 s SER 48 N 4.70 -0.86 0.34 3.54 0.15 -1.26 -5.15 113.70 115.15 2dk1 s SER 48 Ca 0.56 -0.19 -0.26 0.00 0.70 0.00 0.00 55.95 56.76 2dk1 s SER 48 Cb 0.08 1.67 -0.09 0.00 -1.71 0.00 0.00 66.02 65.97 2dk1 s SER 48 CO 0.06 -0.30 1.03 -0.55 1.20 0.00 0.00 173.24 174.68 2dk1 s SER 49 N 2.56 7.09 0.00 5.45 0.15 -1.26 -4.78 113.70 122.91 2dk1 s SER 49 Ca 0.11 2.05 0.00 0.00 0.70 0.00 0.00 55.95 58.81 2dk1 s SER 49 Cb -0.10 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.61 2dk1 s SER 49 CO -0.24 -0.25 0.00 0.61 1.20 0.00 0.00 173.24 174.56