#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 2.74 0.33 1.61 0.15 -1.26 -4.75 113.70 112.52 2dk1 s SER 2 Ca 0.00 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.48 2dk1 s SER 2 Cb 0.00 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.90 2dk1 s SER 2 CO 0.00 -3.16 0.00 -1.20 1.20 0.00 0.00 173.24 170.08 2dk1 n SER 3 N -4.25 -8.64 0.00 5.45 7.64 -1.26 -5.04 113.62 107.53 2dk1 n SER 3 Ca 0.08 1.20 0.00 0.00 1.01 0.00 0.00 58.87 61.17 2dk1 n SER 3 Cb 0.53 -4.41 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 2dk1 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk1 n GLY 4 N 0.48 0.29 3.44 0.23 0.00 -1.26 -5.03 105.19 103.34 2dk1 n GLY 4 Ca 0.00 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 2dk1 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dk1 s SER 5 N -4.00 6.20 0.04 1.61 0.01 -1.26 -5.01 113.70 111.28 2dk1 s SER 5 Ca 0.00 -1.02 0.06 0.00 1.31 0.00 0.00 55.95 56.30 2dk1 s SER 5 Cb 0.00 -2.38 -0.02 0.00 0.21 0.00 0.00 66.02 63.83 2dk1 s SER 5 CO 0.00 -1.29 -0.18 -0.55 0.41 0.00 0.00 173.24 171.63 2dk1 s SER 6 N 3.49 2.09 0.54 2.44 0.15 -1.26 -5.14 113.70 116.01 2dk1 s SER 6 Ca 0.20 -0.47 -0.16 0.00 0.70 0.00 0.00 55.95 56.22 2dk1 s SER 6 Cb -0.18 -0.17 -0.07 0.00 -1.71 0.00 0.00 66.02 63.89 2dk1 s SER 6 CO 0.10 0.12 1.00 -0.83 1.20 0.00 0.00 173.24 174.83 2dk1 s GLY 7 N -1.07 2.02 -0.29 9.45 0.00 -1.26 -5.06 107.32 111.11 2dk1 s GLY 7 Ca 0.05 0.18 -0.01 0.00 0.00 0.00 0.00 44.72 44.94 2dk1 s GLY 7 CO 0.01 0.46 0.08 0.50 0.00 0.00 0.00 173.10 174.16 2dk1 s ARG 8 N -4.21 0.74 0.16 2.90 1.81 -1.26 -4.90 118.95 114.19 2dk1 s ARG 8 Ca 0.59 -0.99 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2dk1 s ARG 8 Cb -0.11 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.32 2dk1 s ARG 8 CO 0.35 -0.93 0.03 -1.58 -0.68 0.00 0.00 175.30 172.49 2dk1 s TRP 9 N 1.64 1.06 -0.09 -0.53 0.52 -1.26 -3.14 118.94 117.13 2dk1 s TRP 9 Ca 0.08 -1.13 -0.04 0.00 0.02 0.00 0.00 56.10 55.02 2dk1 s TRP 9 Cb -0.17 -0.60 0.05 0.00 -1.15 0.00 0.00 33.47 31.59 2dk1 s TRP 9 CO -0.22 -0.37 0.21 0.14 0.02 0.00 0.00 176.95 176.72 2dk1 s VAL 10 N -3.85 -0.14 -0.15 4.03 -7.23 -1.07 -4.95 120.40 107.05 2dk1 s VAL 10 Ca 0.25 0.21 -0.25 0.00 -1.81 0.00 0.00 61.98 60.38 2dk1 s VAL 10 Cb 0.07 -0.34 -0.02 0.00 0.56 0.00 0.00 36.38 36.65 2dk1 s VAL 10 CO 0.03 0.09 0.82 -0.70 -0.31 0.00 0.00 175.10 175.03 2dk1 s GLU 11 N 1.58 4.33 0.00 4.82 2.12 -1.26 -2.22 118.70 128.07 2dk1 s GLU 11 Ca -0.06 1.01 0.00 0.00 0.36 0.00 0.00 54.97 56.29 2dk1 s GLU 11 Cb -0.11 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2dk1 s GLU 11 CO -0.07 -0.26 0.00 0.41 -0.54 0.00 0.00 175.26 174.80 2dk1 n GLY 12 N 3.39 5.04 3.35 -1.50 0.00 -0.75 -5.00 105.19 109.72 2dk1 n GLY 12 Ca 0.04 -0.80 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 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 3.20 0.07 0.00 -0.61 -1.09 -1.26 -3.59 121.20 117.92 2dk1 s ILE 13 Ca 0.00 -1.08 0.00 0.00 -2.23 0.00 0.00 60.65 57.34 2dk1 s ILE 13 Cb 0.00 -1.57 0.00 0.00 -1.58 0.00 0.00 42.46 39.31 2dk1 s ILE 13 CO 0.00 -0.34 0.00 0.35 -1.23 0.00 0.00 174.94 173.72 2dk1 n THR 14 N -0.21 0.00 0.00 2.92 -2.24 -0.87 -4.86 114.28 109.01 2dk1 n THR 14 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 2dk1 n THR 14 Cb 0.63 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.76 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 -0.96 0.00 -0.40 3.42 7.64 -1.26 -2.84 113.62 119.22 2dk1 n SER 15 Ca 0.00 0.27 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 2dk1 n SER 15 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 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 -0.47 -0.42 0.00 1.43 4.71 -1.26 -4.78 120.64 119.85 2dk1 n GLU 16 Ca 0.00 1.45 0.00 0.00 -0.01 0.00 0.00 57.16 58.60 2dk1 n GLU 16 Cb 0.00 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.30 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 -1.24 0.00 3.83 0.62 0.00 -1.13 -5.15 105.19 102.12 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 3.57 -0.75 1.61 2.02 -1.26 -4.79 117.35 117.75 2dk1 s TYR 18 Ca 0.00 0.57 -0.26 0.00 -0.37 0.00 0.00 57.07 57.01 2dk1 s TYR 18 Cb 0.00 -2.07 0.02 0.00 -0.40 0.00 0.00 41.96 39.51 2dk1 s TYR 18 CO 0.00 0.60 1.42 -1.01 -1.57 0.00 0.00 175.55 174.99 2dk1 s HIS 19 N -0.64 2.18 0.42 2.71 3.76 -1.26 -2.06 115.29 120.40 2dk1 s HIS 19 Ca 0.15 0.03 0.07 0.00 -0.15 0.00 0.00 55.06 55.17 2dk1 s HIS 19 Cb -0.13 -4.52 -0.03 0.00 1.11 0.00 0.00 32.58 29.01 2dk1 s HIS 19 CO 0.04 -2.10 0.31 1.52 -0.85 0.00 0.00 174.74 173.67 2dk1 s TYR 20 N 6.38 2.65 -0.08 1.40 1.13 -1.24 -4.92 117.35 122.67 2dk1 s TYR 20 Ca 0.43 -0.53 0.05 0.00 -1.41 0.00 0.00 57.07 55.61 2dk1 s TYR 20 Cb -0.08 -2.10 -0.00 0.00 -1.10 0.00 0.00 41.96 38.68 2dk1 s TYR 20 CO 0.13 -0.03 -0.24 0.71 -2.51 0.00 0.00 175.55 173.61 2dk1 s TYR 21 N -2.52 2.43 0.41 -3.49 2.02 -1.14 -1.81 117.35 113.26 2dk1 s TYR 21 Ca 0.46 -0.86 0.08 0.00 -0.37 0.00 0.00 57.07 56.37 2dk1 s TYR 21 Cb -0.01 -1.61 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 2dk1 s TYR 21 CO 0.26 -0.31 0.32 -0.47 -1.57 0.00 0.00 175.55 173.78 2dk1 s TYR 22 N 0.10 2.69 -0.10 2.71 5.04 -0.94 -2.57 117.35 124.28 2dk1 s TYR 22 Ca -0.11 -0.51 0.01 0.00 -2.44 0.00 0.00 57.07 54.02 2dk1 s TYR 22 Cb -0.16 -2.10 0.02 0.00 0.35 0.00 0.00 41.96 40.07 2dk1 s TYR 22 CO 0.06 -0.02 -0.13 -0.51 -1.34 0.00 0.00 175.55 173.61 2dk1 s ASP 23 N -4.06 2.18 0.00 4.32 1.01 -0.14 -2.60 116.67 117.38 2dk1 s ASP 23 Ca 0.46 -0.36 0.15 0.00 0.71 0.00 0.00 52.55 53.51 2dk1 s ASP 23 Cb -0.01 -0.96 -0.18 0.00 1.01 0.00 0.00 42.92 42.77 2dk1 s ASP 23 CO 0.26 -0.00 0.72 0.00 0.21 0.00 0.00 175.17 176.36 2dk1 n LEU 24 N 4.22 0.83 -0.11 1.23 -0.00 -1.19 -2.49 117.00 119.49 2dk1 n LEU 24 Ca -0.19 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.17 2dk1 n LEU 24 Cb 0.51 0.13 -0.03 0.00 -0.00 0.00 0.00 43.42 44.04 2dk1 n LEU 24 CO 0.23 0.26 0.43 -0.38 -0.00 0.00 0.00 177.39 177.93 2dk1 n ILE 25 N -2.95 -0.17 0.00 1.47 -0.00 -1.26 -4.17 119.36 112.28 2dk1 n ILE 25 Ca -0.14 1.55 0.00 0.00 -0.00 0.00 0.00 62.75 64.16 2dk1 n ILE 25 Cb 0.94 -2.00 0.00 0.00 -0.00 0.00 0.00 39.64 38.58 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 3.83 0.00 4.38 7.64 -1.26 -5.06 113.62 119.63 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 63.36 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 3.21 0.34 4.01 0.23 0.00 -1.04 -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 45.60 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 4.42 -0.12 4.61 0.00 -1.17 -4.88 121.76 124.62 2dk1 s ALA 28 Ca 0.00 -1.72 -0.15 0.00 0.00 0.00 0.00 51.96 50.09 2dk1 s ALA 28 Cb 0.00 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.47 2dk1 s ALA 28 CO 0.00 -0.54 0.40 -1.54 0.00 0.00 0.00 175.76 174.08 2dk1 s SER 29 N -4.45 -0.39 -0.07 0.00 1.04 -1.26 -0.97 113.70 107.61 2dk1 s SER 29 Ca 0.57 0.68 -0.31 0.00 0.48 0.00 0.00 55.95 57.37 2dk1 s SER 29 Cb -0.09 0.72 0.08 0.00 0.10 0.00 0.00 66.02 66.83 2dk1 s SER 29 CO 0.36 -0.21 0.74 -1.58 0.98 0.00 0.00 173.24 173.53 2dk1 s GLN 30 N -0.12 0.97 -0.11 4.02 0.74 -1.06 -5.05 119.66 119.05 2dk1 s GLN 30 Ca -0.03 0.24 -0.11 0.00 0.05 0.00 0.00 55.36 55.51 2dk1 s GLN 30 Cb -0.03 0.46 -0.10 0.00 1.10 0.00 0.00 33.01 34.44 2dk1 s GLN 30 CO 0.02 -0.30 0.32 -1.49 -0.55 0.00 0.00 175.29 173.29 2dk1 h TRP 31 N 2.91 -0.03 -2.87 1.67 4.06 -1.96 -3.00 115.95 116.73 2dk1 h TRP 31 Ca -0.25 -0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.23 2dk1 h TRP 31 Cb 1.14 0.01 0.22 0.00 -1.00 0.00 0.00 29.16 29.54 2dk1 h TRP 31 CO 0.36 0.33 -0.63 0.39 -3.56 0.00 0.00 178.44 175.34 2dk1 n GLU 32 N -4.74 -1.53 -3.42 0.49 1.02 -1.26 -4.55 120.64 106.65 2dk1 n GLU 32 Ca -0.04 -0.42 -0.38 0.00 -0.02 0.00 0.00 57.16 56.30 2dk1 n GLU 32 Cb 0.18 -1.89 -0.08 0.00 -0.02 0.00 0.00 31.44 29.62 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 -3.80 4.09 0.19 3.49 2.20 -1.26 -4.82 119.74 119.82 2dk1 s LYS 33 Ca 0.60 0.07 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 2dk1 s LYS 33 Cb -0.18 -3.59 -0.08 0.00 -1.51 0.00 0.00 37.83 32.47 2dk1 s LYS 33 CO 0.66 -0.14 1.11 -1.25 -0.36 0.00 0.00 175.35 175.37 2dk1 s PRO 34 N 1.64 4.58 -0.34 4.03 0.04 -1.26 -4.91 135.00 138.78 2dk1 s PRO 34 Ca 0.16 1.75 -0.41 0.00 0.04 0.00 0.00 61.00 62.54 2dk1 s PRO 34 Cb -0.15 -3.26 -0.16 0.00 0.04 0.00 0.00 34.50 30.97 2dk1 s PRO 34 CO 0.08 0.07 1.78 -0.85 0.04 0.00 0.00 177.00 178.13 2dk1 n GLU 35 N 2.26 0.89 0.00 4.56 0.28 -1.26 -1.80 120.64 125.56 2dk1 n GLU 35 Ca 0.02 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.34 2dk1 n GLU 35 Cb 0.46 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.33 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 4.57 3.29 3.09 -1.84 0.00 -1.26 -4.76 105.19 108.28 2dk1 n GLY 36 Ca 0.30 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.49 0.17 1.61 7.35 -0.74 -4.95 117.46 118.42 2dk1 n PHE 37 Ca 0.00 0.32 0.00 0.00 -0.76 0.00 0.00 57.45 57.01 2dk1 n PHE 37 Cb 0.00 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 38.36 2dk1 n PHE 37 CO 0.00 0.00 0.00 0.94 -0.76 0.00 0.00 176.76 176.94 2dk1 n GLN 38 N 1.23 0.00 0.00 -4.13 7.27 -1.26 -5.01 117.38 115.48 2dk1 n GLN 38 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2dk1 n GLN 38 Cb 0.65 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.30 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2dk1 n GLY 39 N -0.49 3.03 3.15 1.69 0.00 -1.26 -4.98 105.19 106.33 2dk1 n GLY 39 Ca 0.00 -0.78 0.04 0.00 0.00 0.00 0.00 46.02 45.28 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 0.00 -1.42 0.11 1.61 1.11 -1.26 -5.03 116.67 111.79 2dk1 s ASP 40 Ca 0.00 0.77 0.00 0.00 0.18 0.00 0.00 52.55 53.50 2dk1 s ASP 40 Cb 0.00 2.14 0.00 0.00 1.07 0.00 0.00 42.92 46.13 2dk1 s ASP 40 CO 0.00 -0.26 0.00 -0.11 1.18 0.00 0.00 175.17 175.98 2dk1 n LEU 41 N 5.43 0.17 -3.62 1.23 7.94 -1.26 -5.08 117.00 121.81 2dk1 n LEU 41 Ca -0.00 0.18 -0.22 0.00 -1.11 0.00 0.00 56.01 54.86 2dk1 n LEU 41 Cb 0.52 0.06 -0.16 0.00 0.53 0.00 0.00 43.42 44.36 2dk1 n LEU 41 CO 0.01 -0.64 -0.30 -0.54 -1.11 0.00 0.00 177.39 174.82 2dk1 s LYS 42 N -1.49 0.04 0.00 1.96 -0.14 -1.26 -5.02 119.74 113.83 2dk1 s LYS 42 Ca 0.00 0.18 -0.03 0.00 -1.36 0.00 0.00 55.97 54.76 2dk1 s LYS 42 Cb 0.00 -1.15 -0.01 0.00 -1.68 0.00 0.00 37.83 34.99 2dk1 s LYS 42 CO 0.00 -0.53 -0.06 1.17 -0.76 0.00 0.00 175.35 175.18 2dk1 n LYS 43 N 5.30 0.09 -2.73 1.68 3.00 -1.26 -5.11 118.16 119.13 2dk1 n LYS 43 Ca -0.05 0.04 -0.04 0.00 -0.00 0.00 0.00 58.31 58.26 2dk1 n LYS 43 Cb 0.49 -0.49 -0.03 0.00 0.00 0.00 0.00 35.03 35.00 2dk1 n LYS 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 2dk1 n THR 44 N -3.17-10.27 -2.77 3.15 -1.04 -1.26 -4.62 114.28 94.31 2dk1 n THR 44 Ca -0.02 2.07 -0.07 0.00 -2.04 0.00 0.00 64.05 63.98 2dk1 n THR 44 Cb 0.09 -5.77 0.01 0.00 -1.82 0.00 0.00 70.33 62.84 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2dk1 n SER 45 N 1.68 -7.60 -1.97 8.00 2.88 -1.26 -5.05 113.62 110.31 2dk1 n SER 45 Ca -0.27 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 2dk1 n SER 45 Cb 0.44 -5.13 0.00 0.00 -0.75 0.00 0.00 64.21 58.76 2dk1 n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 46 N -0.31 0.07 3.56 0.46 0.00 -1.26 -4.95 105.19 102.75 2dk1 n GLY 46 Ca 0.11 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 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 -1.03 3.00 -0.25 1.61 0.04 -1.26 -4.31 135.00 132.80 2dk1 s PRO 47 Ca 0.00 -0.28 -0.13 0.00 0.04 0.00 0.00 61.00 60.63 2dk1 s PRO 47 Cb 0.00 -4.76 0.02 0.00 0.04 0.00 0.00 34.50 29.80 2dk1 s PRO 47 CO 0.00 -2.61 0.27 -1.13 0.04 0.00 0.00 177.00 173.57 2dk1 n SER 48 N 11.19 -6.80 -3.49 6.66 3.41 -1.26 -5.02 113.62 118.32 2dk1 n SER 48 Ca 0.24 0.49 -0.01 0.00 -0.26 0.00 0.00 58.87 59.34 2dk1 n SER 48 Cb 0.50 -2.96 -0.04 0.00 -0.26 0.00 0.00 64.21 61.45 2dk1 n SER 48 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2dk1 s SER 49 N -1.50 -1.06 0.00 4.04 1.04 -1.26 -5.24 113.70 109.72 2dk1 s SER 49 Ca 0.14 1.25 0.00 0.00 0.48 0.00 0.00 55.95 57.82 2dk1 s SER 49 Cb -0.02 2.11 0.00 0.00 0.10 0.00 0.00 66.02 68.21 2dk1 s SER 49 CO 0.52 -0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.11