#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 0.90 -4.76 1.61 7.64 -1.26 -4.94 113.62 112.80 2dk1 n SER 2 Ca 0.00 0.95 -0.38 0.00 1.01 0.00 0.00 58.87 60.44 2dk1 n SER 2 Cb 0.00 -1.34 -0.06 0.00 -1.01 0.00 0.00 64.21 61.80 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 -0.91 6.88 0.00 6.43 0.01 -1.26 -5.05 113.70 119.81 2dk1 s SER 3 Ca 0.67 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2dk1 s SER 3 Cb -0.51 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.39 2dk1 s SER 3 CO 0.54 0.11 0.00 0.61 0.41 0.00 0.00 173.24 174.91 2dk1 n GLY 4 N 2.55 4.67 3.77 3.44 0.00 -1.26 -5.14 105.19 113.22 2dk1 n GLY 4 Ca -0.08 -1.46 -0.37 0.00 0.00 0.00 0.00 46.02 44.11 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 0.36 5.82 0.26 1.61 0.01 -1.26 -4.96 113.70 115.53 2dk1 s SER 5 Ca 0.00 2.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.31 2dk1 s SER 5 Cb 0.00 -2.60 -0.09 0.00 0.21 0.00 0.00 66.02 63.53 2dk1 s SER 5 CO 0.00 -1.16 1.26 -0.44 0.41 0.00 0.00 173.24 173.31 2dk1 s SER 6 N -1.44 6.94 0.17 2.44 0.01 -1.26 -5.01 113.70 115.55 2dk1 s SER 6 Ca 0.69 2.47 0.08 0.00 1.31 0.00 0.00 55.95 60.49 2dk1 s SER 6 Cb -0.29 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.27 2dk1 s SER 6 CO 0.34 -0.44 -0.05 -0.83 0.41 0.00 0.00 173.24 172.67 2dk1 s GLY 7 N -0.20 1.73 -0.29 3.44 0.00 -1.26 -5.11 107.32 105.63 2dk1 s GLY 7 Ca 0.51 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.81 2dk1 s GLY 7 CO 0.44 -1.43 0.08 0.50 0.00 0.00 0.00 173.10 172.70 2dk1 s ARG 8 N -2.85 0.73 0.07 2.90 1.81 -1.26 -4.93 118.95 115.42 2dk1 s ARG 8 Ca 0.26 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.29 2dk1 s ARG 8 Cb -0.09 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.36 2dk1 s ARG 8 CO 0.17 -0.93 -0.05 -1.58 -0.68 0.00 0.00 175.30 172.22 2dk1 s TRP 9 N 1.64 0.70 -0.01 -0.53 0.52 -1.26 -3.24 118.94 116.75 2dk1 s TRP 9 Ca 0.08 -0.90 0.00 0.00 0.02 0.00 0.00 56.10 55.30 2dk1 s TRP 9 Cb -0.17 -0.44 0.02 0.00 -1.15 0.00 0.00 33.47 31.73 2dk1 s TRP 9 CO -0.23 -0.23 0.01 0.14 0.02 0.00 0.00 176.95 176.67 2dk1 s VAL 10 N -3.35 0.00 -0.27 4.03 -7.23 -0.87 -4.94 120.40 107.77 2dk1 s VAL 10 Ca 0.06 0.10 -0.23 0.00 -1.81 0.00 0.00 61.98 60.10 2dk1 s VAL 10 Cb 0.04 -0.08 -0.01 0.00 0.56 0.00 0.00 36.38 36.89 2dk1 s VAL 10 CO -0.06 0.06 0.75 -0.70 -0.31 0.00 0.00 175.10 174.84 2dk1 s GLU 11 N 0.58 4.07 0.00 4.82 2.12 -1.26 -1.23 118.70 127.80 2dk1 s GLU 11 Ca -0.05 0.67 0.00 0.00 0.36 0.00 0.00 54.97 55.95 2dk1 s GLU 11 Cb -0.07 -3.68 0.00 0.00 0.26 0.00 0.00 34.13 30.64 2dk1 s GLU 11 CO -0.02 -0.55 0.00 0.41 -0.54 0.00 0.00 175.26 174.56 2dk1 n GLY 12 N 4.06 6.01 3.09 -1.50 0.00 0.16 -4.98 105.19 112.04 2dk1 n GLY 12 Ca 0.03 -1.70 -0.10 0.00 0.00 0.00 0.00 46.02 44.24 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 1.06 0.10 0.00 -0.61 -1.09 -1.26 -2.70 121.20 116.70 2dk1 s ILE 13 Ca 0.00 -0.81 0.00 0.00 -2.23 0.00 0.00 60.65 57.61 2dk1 s ILE 13 Cb 0.00 -0.51 0.00 0.00 -1.58 0.00 0.00 42.46 40.37 2dk1 s ILE 13 CO 0.00 -0.45 0.00 1.07 -1.23 0.00 0.00 174.94 174.33 2dk1 n THR 14 N 1.31 0.00 -1.36 2.92 5.66 -0.86 -4.92 114.28 117.04 2dk1 n THR 14 Ca -0.22 0.00 -0.49 0.00 -3.05 0.00 0.00 64.05 60.29 2dk1 n THR 14 Cb 0.56 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.29 2dk1 n THR 14 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dk1 n SER 15 N -1.45 -0.75 0.00 1.09 7.64 -1.26 -1.61 113.62 117.28 2dk1 n SER 15 Ca 0.00 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.96 2dk1 n SER 15 Cb 0.00 -0.89 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dk1 n GLU 16 N 1.12 0.00 0.00 1.43 4.07 -1.26 -3.58 120.64 122.42 2dk1 n GLU 16 Ca 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 2dk1 n GLU 16 Cb 0.18 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.56 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 3.67 8.31 0.00 -0.63 -5.14 105.19 111.39 2dk1 n GLY 17 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 3.40 -0.75 1.61 1.51 -1.23 -4.82 117.35 117.06 2dk1 s TYR 18 Ca 0.00 1.09 -0.27 0.00 -1.01 0.00 0.00 57.07 56.88 2dk1 s TYR 18 Cb 0.00 -2.90 0.03 0.00 -0.11 0.00 0.00 41.96 38.97 2dk1 s TYR 18 CO 0.00 -0.20 1.34 -1.01 -1.11 0.00 0.00 175.55 174.57 2dk1 s HIS 19 N 2.02 2.24 0.37 2.71 3.76 -1.26 -2.03 115.29 123.10 2dk1 s HIS 19 Ca 0.33 -0.04 0.08 0.00 -0.15 0.00 0.00 55.06 55.29 2dk1 s HIS 19 Cb -0.16 -4.59 -0.05 0.00 1.11 0.00 0.00 32.58 28.90 2dk1 s HIS 19 CO 0.11 -2.09 0.15 1.52 -0.85 0.00 0.00 174.74 173.58 2dk1 s TYR 20 N 5.98 2.65 -0.11 1.40 -0.85 -1.10 -4.93 117.35 120.40 2dk1 s TYR 20 Ca 0.39 -0.46 0.02 0.00 -0.52 0.00 0.00 57.07 56.51 2dk1 s TYR 20 Cb -0.08 -1.74 -0.01 0.00 0.38 0.00 0.00 41.96 40.52 2dk1 s TYR 20 CO 0.13 0.29 -0.20 0.71 -1.52 0.00 0.00 175.55 174.97 2dk1 s TYR 21 N -2.49 2.66 0.37 -3.49 2.02 -1.00 -0.66 117.35 114.75 2dk1 s TYR 21 Ca 0.39 -0.85 0.08 0.00 -0.37 0.00 0.00 57.07 56.31 2dk1 s TYR 21 Cb -0.00 -1.75 -0.02 0.00 -0.40 0.00 0.00 41.96 39.78 2dk1 s TYR 21 CO 0.22 -0.31 0.35 -0.47 -1.57 0.00 0.00 175.55 173.77 2dk1 s TYR 22 N 0.29 2.83 -0.11 2.71 5.04 -0.37 -2.18 117.35 125.57 2dk1 s TYR 22 Ca -0.14 -0.38 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 2dk1 s TYR 22 Cb -0.17 -1.99 0.01 0.00 0.35 0.00 0.00 41.96 40.16 2dk1 s TYR 22 CO 0.07 0.02 -0.18 -0.51 -1.34 0.00 0.00 175.55 173.61 2dk1 s ASP 23 N -4.08 2.65 0.01 4.32 1.01 0.62 -2.05 116.67 119.15 2dk1 s ASP 23 Ca 0.45 -0.48 0.15 0.00 0.71 0.00 0.00 52.55 53.38 2dk1 s ASP 23 Cb -0.05 -1.21 -0.18 0.00 1.01 0.00 0.00 42.92 42.49 2dk1 s ASP 23 CO 0.28 0.06 0.72 0.00 0.21 0.00 0.00 175.17 176.44 2dk1 n LEU 24 N 4.01 0.83 -0.10 1.23 -0.00 -1.20 -2.48 117.00 119.28 2dk1 n LEU 24 Ca -0.20 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.52 0.13 -0.02 0.00 -0.00 0.00 0.00 43.42 44.04 2dk1 n LEU 24 CO 0.26 0.26 0.43 -0.38 -0.00 0.00 0.00 177.39 177.95 2dk1 n ILE 25 N -2.94 -0.17 0.00 1.47 -0.00 -1.26 -4.16 119.36 112.30 2dk1 n ILE 25 Ca -0.13 1.53 0.00 0.00 -0.00 0.00 0.00 62.75 64.14 2dk1 n ILE 25 Cb 0.94 -1.98 0.00 0.00 -0.00 0.00 0.00 39.64 38.60 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 -3.50 3.88 0.00 4.38 7.64 -1.26 -5.05 113.62 119.71 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 0.10 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 3.23 0.32 4.01 0.23 0.00 -1.04 -5.10 105.19 106.84 2dk1 n GLY 27 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 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 4.49 -0.03 4.61 0.00 -1.15 -4.87 121.76 124.81 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 -1.65 0.03 0.00 0.00 0.00 0.00 23.12 21.50 2dk1 s ALA 28 CO 0.00 -0.44 0.32 -1.54 0.00 0.00 0.00 175.76 174.10 2dk1 s SER 29 N -4.42 -0.23 -0.12 0.00 1.04 -1.26 -0.27 113.70 108.44 2dk1 s SER 29 Ca 0.57 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.89 2dk1 s SER 29 Cb -0.09 0.37 0.09 0.00 0.10 0.00 0.00 66.02 66.49 2dk1 s SER 29 CO 0.35 -0.41 0.80 -1.58 0.98 0.00 0.00 173.24 173.38 2dk1 s GLN 30 N -1.11 0.87 -0.06 4.02 0.74 -0.93 -5.03 119.66 118.17 2dk1 s GLN 30 Ca -0.12 0.32 -0.01 0.00 0.05 0.00 0.00 55.36 55.61 2dk1 s GLN 30 Cb -0.05 0.41 -0.01 0.00 1.10 0.00 0.00 33.01 34.47 2dk1 s GLN 30 CO 0.04 -0.25 0.07 -1.49 -0.55 0.00 0.00 175.29 173.11 2dk1 h TRP 31 N 3.16 -0.04 -2.31 1.67 -0.00 -1.95 -2.66 115.95 113.82 2dk1 h TRP 31 Ca -0.25 -0.00 -0.47 0.00 -0.00 0.00 0.00 58.89 58.17 2dk1 h TRP 31 Cb 1.15 0.01 0.24 0.00 -0.00 0.00 0.00 29.16 30.56 2dk1 h TRP 31 CO 0.35 -0.03 -1.18 0.39 -0.00 0.00 0.00 178.44 177.97 2dk1 n GLU 32 N -3.77 -1.32 -3.12 0.49 4.71 -1.26 -4.45 120.64 111.92 2dk1 n GLU 32 Ca -0.01 -0.37 -0.39 0.00 -0.01 0.00 0.00 57.16 56.38 2dk1 n GLU 32 Cb 0.02 -1.65 -0.05 0.00 -1.01 0.00 0.00 31.44 28.75 2dk1 n GLU 32 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2dk1 s LYS 33 N -3.33 4.40 0.34 3.49 2.20 -1.26 -4.78 119.74 120.80 2dk1 s LYS 33 Ca 0.54 0.82 -0.27 0.00 -0.36 0.00 0.00 55.97 56.70 2dk1 s LYS 33 Cb -0.11 -3.40 -0.09 0.00 -1.51 0.00 0.00 37.83 32.72 2dk1 s LYS 33 CO 0.66 0.21 1.07 -1.25 -0.36 0.00 0.00 175.35 175.69 2dk1 s PRO 34 N 0.30 4.40 -0.63 4.03 0.04 -1.26 -4.89 135.00 136.98 2dk1 s PRO 34 Ca 0.34 1.64 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 2dk1 s PRO 34 Cb -0.18 -2.86 -0.16 0.00 0.04 0.00 0.00 34.50 31.34 2dk1 s PRO 34 CO 0.18 0.04 1.85 -1.91 0.04 0.00 0.00 177.00 177.20 2dk1 n GLU 35 N 0.55 1.29 0.00 4.56 4.07 -1.26 -2.45 120.64 127.40 2dk1 n GLU 35 Ca 0.02 -1.56 0.00 0.00 -0.06 0.00 0.00 57.16 55.56 2dk1 n GLU 35 Cb 0.47 -2.71 0.00 0.00 -0.06 0.00 0.00 31.44 29.14 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 4.43 0.00 0.10 8.31 0.00 -1.26 -4.97 105.19 111.80 2dk1 n GLY 36 Ca 0.45 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.31 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 0.65 -2.39 1.61 7.35 -1.02 -4.29 117.46 119.36 2dk1 n PHE 37 Ca 0.00 0.28 -0.01 0.00 -0.76 0.00 0.00 57.45 56.96 2dk1 n PHE 37 Cb 0.00 -0.89 0.00 0.00 0.35 0.00 0.00 39.48 38.94 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 -4.46 -2.32 -4.09 -4.13 6.02 -1.26 -4.87 117.38 102.28 2dk1 n GLN 38 Ca -0.26 2.03 -0.07 0.00 -0.01 0.00 0.00 57.00 58.69 2dk1 n GLN 38 Cb 0.57 -4.23 -0.10 0.00 1.02 0.00 0.00 30.24 27.49 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 2dk1 s GLY 39 N -1.41 0.46 -0.10 1.08 0.00 -1.26 -4.63 107.32 101.45 2dk1 s GLY 39 Ca 0.04 -1.19 -0.07 0.00 0.00 0.00 0.00 44.72 43.50 2dk1 s GLY 39 CO 0.56 -1.30 0.15 1.34 0.00 0.00 0.00 173.10 173.84 2dk1 n ASP 40 N 0.14 -3.37 -1.62 1.64 2.03 -1.26 -4.83 116.55 109.27 2dk1 n ASP 40 Ca -0.14 1.36 0.00 0.00 0.52 0.00 0.00 54.79 56.53 2dk1 n ASP 40 Cb 0.61 -4.34 0.00 0.00 -0.72 0.00 0.00 41.12 36.67 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2dk1 n LEU 41 N 1.93 -5.16 -2.91 -2.67 7.94 -1.26 -4.83 117.00 110.03 2dk1 n LEU 41 Ca -0.25 2.48 -0.03 0.00 -1.11 0.00 0.00 56.01 57.11 2dk1 n LEU 41 Cb 0.38 -2.52 0.01 0.00 0.53 0.00 0.00 43.42 41.83 2dk1 n LEU 41 CO 0.23 -1.13 0.24 0.29 -1.11 0.00 0.00 177.39 175.91 2dk1 n LYS 42 N 1.17 -1.35 0.05 1.96 4.76 -1.26 -4.98 118.16 118.51 2dk1 n LYS 42 Ca 0.00 1.24 -0.03 0.00 -2.87 0.00 0.00 58.31 56.65 2dk1 n LYS 42 Cb 0.00 -5.27 -0.01 0.00 -1.84 0.00 0.00 35.03 27.91 2dk1 n LYS 42 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2dk1 h LYS 43 N 0.09 -0.16 -2.01 1.97 3.64 -1.88 -3.40 116.57 114.81 2dk1 h LYS 43 Ca -0.13 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.24 2dk1 h LYS 43 Cb 1.06 0.04 -0.21 0.00 -0.41 0.00 0.00 32.23 32.71 2dk1 h LYS 43 CO 0.29 -0.11 0.09 -0.08 -2.27 0.00 0.00 179.45 177.38 2dk1 s THR 44 N -2.20 -0.00 0.21 1.00 -1.32 -1.26 -4.70 115.64 107.36 2dk1 s THR 44 Ca -0.02 0.00 -0.14 0.00 -1.21 0.00 0.00 61.69 60.31 2dk1 s THR 44 Cb 0.00 -0.99 0.01 0.00 -1.51 0.00 0.00 72.50 70.01 2dk1 s THR 44 CO 0.07 0.00 0.47 -0.94 -2.21 0.00 0.00 174.62 172.01 2dk1 s SER 45 N 0.71 -0.14 0.00 8.08 1.04 -1.26 -5.13 113.70 117.01 2dk1 s SER 45 Ca -0.03 -0.73 0.00 0.00 0.48 0.00 0.00 55.95 55.67 2dk1 s SER 45 Cb -0.05 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.63 2dk1 s SER 45 CO -0.05 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.72 2dk1 n GLY 46 N -0.33 0.58 3.74 7.32 0.00 -1.26 -4.95 105.19 110.28 2dk1 n GLY 46 Ca -0.06 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 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 0.00 4.58 -0.38 1.61 0.04 -1.26 -5.01 135.00 134.58 2dk1 s PRO 47 Ca 0.00 1.75 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2dk1 s PRO 47 Cb 0.00 -3.26 0.18 0.00 0.04 0.00 0.00 34.50 31.45 2dk1 s PRO 47 CO 0.00 0.06 0.57 -1.54 0.04 0.00 0.00 177.00 176.13 2dk1 s SER 48 N -0.14 -1.00 -0.54 6.66 1.04 -1.26 -5.01 113.70 113.45 2dk1 s SER 48 Ca 0.49 -0.76 -0.24 0.00 0.48 0.00 0.00 55.95 55.93 2dk1 s SER 48 Cb -0.30 1.70 0.04 0.00 0.10 0.00 0.00 66.02 67.55 2dk1 s SER 48 CO 0.36 -0.21 0.64 -1.20 0.98 0.00 0.00 173.24 173.81 2dk1 n SER 49 N 4.58 -6.04 0.00 7.02 7.64 -1.26 -5.24 113.62 120.32 2dk1 n SER 49 Ca 0.10 -0.17 0.00 0.00 1.01 0.00 0.00 58.87 59.80 2dk1 n SER 49 Cb 0.54 -2.68 0.00 0.00 -1.01 0.00 0.00 64.21 61.06 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64