#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 -0.29 -2.02 1.61 0.87 -2.04 -3.48 113.55 108.20 2dk1 h SER 2 Ca 0.00 -0.00 -0.60 0.00 -1.23 0.00 0.00 61.79 59.96 2dk1 h SER 2 Cb 0.00 0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 61.90 2dk1 h SER 2 CO 0.00 0.17 -0.63 -0.94 -0.53 0.00 0.00 176.83 174.90 2dk1 s SER 3 N -5.17 3.58 0.00 6.23 1.04 -1.26 -4.95 113.70 113.17 2dk1 s SER 3 Ca -0.05 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2dk1 s SER 3 Cb 0.00 -0.33 0.00 0.00 0.10 0.00 0.00 66.02 65.79 2dk1 s SER 3 CO 0.16 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.61 2dk1 n GLY 4 N -0.85 0.95 3.35 7.32 0.00 -1.26 -4.86 105.19 109.84 2dk1 n GLY 4 Ca -0.05 -1.06 -0.46 0.00 0.00 0.00 0.00 46.02 44.46 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 -4.00 6.48 0.32 1.61 0.15 -1.26 -5.04 113.70 111.96 2dk1 s SER 5 Ca 0.00 -2.10 0.06 0.00 0.70 0.00 0.00 55.95 54.61 2dk1 s SER 5 Cb 0.00 -2.26 -0.01 0.00 -1.71 0.00 0.00 66.02 62.04 2dk1 s SER 5 CO 0.00 -0.83 0.44 -0.55 1.20 0.00 0.00 173.24 173.50 2dk1 s SER 6 N 3.04 5.96 0.32 5.45 0.15 -1.26 -4.53 113.70 122.83 2dk1 s SER 6 Ca 0.15 -0.18 -0.08 0.00 0.70 0.00 0.00 55.95 56.54 2dk1 s SER 6 Cb -0.17 -1.30 -0.06 0.00 -1.71 0.00 0.00 66.02 62.78 2dk1 s SER 6 CO -0.03 -0.37 0.64 -0.83 1.20 0.00 0.00 173.24 173.85 2dk1 s GLY 7 N -4.13 1.99 -0.31 9.45 0.00 -1.26 -5.07 107.32 107.99 2dk1 s GLY 7 Ca 0.43 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.82 2dk1 s GLY 7 CO 0.30 -0.20 0.05 0.50 0.00 0.00 0.00 173.10 173.76 2dk1 s ARG 8 N -3.49 1.17 0.11 2.90 1.81 -1.26 -4.88 118.95 115.30 2dk1 s ARG 8 Ca 0.48 -1.35 0.01 0.00 -1.72 0.00 0.00 55.73 53.14 2dk1 s ARG 8 Cb -0.11 -2.56 -0.04 0.00 -0.45 0.00 0.00 34.95 31.79 2dk1 s ARG 8 CO 0.28 -0.89 -0.02 -1.58 -0.68 0.00 0.00 175.30 172.40 2dk1 s TRP 9 N 1.31 0.89 -0.07 -0.53 0.52 -1.26 -3.26 118.94 116.54 2dk1 s TRP 9 Ca 0.07 -1.02 -0.03 0.00 0.02 0.00 0.00 56.10 55.14 2dk1 s TRP 9 Cb -0.18 -0.53 0.04 0.00 -1.15 0.00 0.00 33.47 31.65 2dk1 s TRP 9 CO -0.15 -0.27 0.16 0.14 0.02 0.00 0.00 176.95 176.85 2dk1 s VAL 10 N -3.76 -0.04 -0.03 4.03 -7.23 -0.84 -4.95 120.40 107.58 2dk1 s VAL 10 Ca 0.16 0.16 -0.25 0.00 -1.81 0.00 0.00 61.98 60.23 2dk1 s VAL 10 Cb 0.06 -0.26 -0.04 0.00 0.56 0.00 0.00 36.38 36.71 2dk1 s VAL 10 CO -0.03 0.06 0.78 -0.70 -0.31 0.00 0.00 175.10 174.91 2dk1 s GLU 11 N 1.08 4.48 0.00 4.82 2.12 -1.26 -1.50 118.70 128.44 2dk1 s GLU 11 Ca -0.08 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.30 2dk1 s GLU 11 Cb -0.10 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.85 2dk1 s GLU 11 CO -0.06 0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 2dk1 n GLY 12 N 2.93 5.26 3.25 -1.50 0.00 -0.08 -4.99 105.19 110.06 2dk1 n GLY 12 Ca 0.00 -0.77 -0.11 0.00 0.00 0.00 0.00 46.02 45.14 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 3.10 0.09 0.00 -0.61 -1.09 -1.26 -3.42 121.20 118.01 2dk1 s ILE 13 Ca 0.00 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.70 2dk1 s ILE 13 Cb 0.00 -0.98 0.00 0.00 -1.58 0.00 0.00 42.46 39.90 2dk1 s ILE 13 CO 0.00 -0.40 0.00 0.35 -1.23 0.00 0.00 174.94 173.66 2dk1 n THR 14 N 0.48 0.00 0.00 2.92 -2.24 -0.30 -4.84 114.28 110.30 2dk1 n THR 14 Ca -0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 2dk1 n THR 14 Cb 0.60 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.66 0.00 -0.36 3.42 7.64 -1.26 -3.00 113.62 118.40 2dk1 n SER 15 Ca 0.00 0.16 -0.09 0.00 1.01 0.00 0.00 58.87 59.95 2dk1 n SER 15 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 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 -0.27 -0.37 0.00 1.43 1.02 -1.26 -4.75 120.64 116.43 2dk1 n GLU 16 Ca 0.00 1.33 0.00 0.00 -0.02 0.00 0.00 57.16 58.47 2dk1 n GLU 16 Cb 0.00 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 29.46 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 -1.21 0.00 3.82 0.62 0.00 -1.16 -5.16 105.19 102.10 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 -0.60 1.61 2.02 -1.26 -4.78 117.35 117.90 2dk1 s TYR 18 Ca 0.00 0.54 -0.27 0.00 -0.37 0.00 0.00 57.07 56.97 2dk1 s TYR 18 Cb 0.00 -2.07 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2dk1 s TYR 18 CO 0.00 0.57 1.56 -1.01 -1.57 0.00 0.00 175.55 175.10 2dk1 s HIS 19 N -0.55 2.05 0.36 2.71 3.76 -1.26 -1.15 115.29 121.22 2dk1 s HIS 19 Ca 0.14 0.48 0.08 0.00 -0.15 0.00 0.00 55.06 55.62 2dk1 s HIS 19 Cb -0.12 -4.32 -0.05 0.00 1.11 0.00 0.00 32.58 29.20 2dk1 s HIS 19 CO 0.04 -2.17 0.11 1.52 -0.85 0.00 0.00 174.74 173.39 2dk1 s TYR 20 N 7.03 2.63 -0.12 1.40 1.13 -1.22 -4.91 117.35 123.28 2dk1 s TYR 20 Ca 0.56 -0.46 0.01 0.00 -1.41 0.00 0.00 57.07 55.77 2dk1 s TYR 20 Cb -0.12 -1.68 -0.01 0.00 -1.10 0.00 0.00 41.96 39.06 2dk1 s TYR 20 CO 0.22 0.34 -0.18 0.71 -2.51 0.00 0.00 175.55 174.14 2dk1 s TYR 21 N -2.50 2.71 0.33 -3.49 2.02 -1.13 -0.91 117.35 114.38 2dk1 s TYR 21 Ca 0.38 -0.89 0.07 0.00 -0.37 0.00 0.00 57.07 56.26 2dk1 s TYR 21 Cb 0.00 -1.80 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2dk1 s TYR 21 CO 0.22 -0.35 0.29 -0.47 -1.57 0.00 0.00 175.55 173.67 2dk1 s TYR 22 N 0.45 2.92 -0.13 2.71 5.04 -0.56 -2.25 117.35 125.54 2dk1 s TYR 22 Ca -0.13 -0.29 0.03 0.00 -2.44 0.00 0.00 57.07 54.25 2dk1 s TYR 22 Cb -0.17 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.37 2dk1 s TYR 22 CO 0.05 0.20 -0.22 -0.51 -1.34 0.00 0.00 175.55 173.74 2dk1 s ASP 23 N -3.99 3.16 -0.02 4.32 1.01 0.18 -1.98 116.67 119.35 2dk1 s ASP 23 Ca 0.40 -0.57 0.15 0.00 0.71 0.00 0.00 52.55 53.24 2dk1 s ASP 23 Cb -0.06 -1.44 -0.20 0.00 1.01 0.00 0.00 42.92 42.23 2dk1 s ASP 23 CO 0.27 0.11 0.68 0.00 0.21 0.00 0.00 175.17 176.44 2dk1 n LEU 24 N 3.85 0.80 -0.10 1.23 -0.00 -1.20 -2.49 117.00 119.08 2dk1 n LEU 24 Ca -0.20 0.37 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.52 0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 44.07 2dk1 n LEU 24 CO 0.28 0.30 0.41 -0.38 -0.00 0.00 0.00 177.39 178.00 2dk1 n ILE 25 N -2.96 -0.17 0.00 1.47 -0.00 -1.26 -4.12 119.36 112.32 2dk1 n ILE 25 Ca -0.15 1.46 0.00 0.00 -0.00 0.00 0.00 62.75 64.06 2dk1 n ILE 25 Cb 0.98 -1.89 0.00 0.00 -0.00 0.00 0.00 39.64 38.72 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 -3.49 3.90 0.00 4.38 7.64 -1.26 -5.05 113.62 119.74 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 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 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 3.22 0.34 4.00 0.23 0.00 -1.04 -5.10 105.19 106.84 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 4.48 -0.06 4.61 0.00 -1.13 -4.87 121.76 124.79 2dk1 s ALA 28 Ca 0.00 -1.72 -0.14 0.00 0.00 0.00 0.00 51.96 50.10 2dk1 s ALA 28 Cb 0.00 -1.55 0.03 0.00 0.00 0.00 0.00 23.12 21.60 2dk1 s ALA 28 CO 0.00 -0.30 0.33 -1.54 0.00 0.00 0.00 175.76 174.25 2dk1 s SER 29 N -4.34 -0.27 -0.12 0.00 1.04 -1.26 0.47 113.70 109.22 2dk1 s SER 29 Ca 0.54 0.35 -0.29 0.00 0.48 0.00 0.00 55.95 57.04 2dk1 s SER 29 Cb -0.09 0.49 0.08 0.00 0.10 0.00 0.00 66.02 66.59 2dk1 s SER 29 CO 0.33 -0.32 0.73 -1.58 0.98 0.00 0.00 173.24 173.38 2dk1 s GLN 30 N -0.70 0.95 -0.10 4.02 0.74 -0.95 -5.02 119.66 118.59 2dk1 s GLN 30 Ca -0.08 0.45 -0.19 0.00 0.05 0.00 0.00 55.36 55.59 2dk1 s GLN 30 Cb -0.04 0.45 -0.16 0.00 1.10 0.00 0.00 33.01 34.36 2dk1 s GLN 30 CO 0.03 -0.25 0.64 -1.49 -0.55 0.00 0.00 175.29 173.67 2dk1 h TRP 31 N 3.53 -0.07 -2.80 1.67 -0.00 -1.96 -3.00 115.95 113.32 2dk1 h TRP 31 Ca -0.27 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.89 58.19 2dk1 h TRP 31 Cb 1.15 0.02 0.22 0.00 -0.00 0.00 0.00 29.16 30.55 2dk1 h TRP 31 CO 0.37 0.48 -0.40 0.39 -0.00 0.00 0.00 178.44 179.28 2dk1 n GLU 32 N -4.77 -2.46 -3.61 0.49 1.02 -1.26 -4.59 120.64 105.46 2dk1 n GLU 32 Ca -0.07 -0.70 -0.38 0.00 -0.02 0.00 0.00 57.16 56.00 2dk1 n GLU 32 Cb 0.28 -1.97 -0.11 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 -4.08 3.98 -0.09 3.49 2.20 -1.26 -4.81 119.74 119.17 2dk1 s LYS 33 Ca 0.64 -0.31 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 2dk1 s LYS 33 Cb -0.20 -3.63 -0.03 0.00 -1.51 0.00 0.00 37.83 32.47 2dk1 s LYS 33 CO 0.65 -0.12 1.24 -1.25 -0.36 0.00 0.00 175.35 175.51 2dk1 s PRO 34 N 1.58 4.31 -0.47 4.03 0.04 -1.26 -4.88 135.00 138.34 2dk1 s PRO 34 Ca 0.07 1.69 -0.42 0.00 0.04 0.00 0.00 61.00 62.39 2dk1 s PRO 34 Cb -0.15 -3.63 -0.18 0.00 0.04 0.00 0.00 34.50 30.58 2dk1 s PRO 34 CO 0.09 -0.54 1.91 -1.91 0.04 0.00 0.00 177.00 176.59 2dk1 n GLU 35 N 5.69 0.00 0.00 4.56 4.07 -1.26 -1.41 120.64 132.30 2dk1 n GLU 35 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 2dk1 n GLU 35 Cb 0.46 -1.40 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 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 6.43 3.84 3.26 8.31 0.00 -1.26 -4.82 105.19 120.94 2dk1 n GLY 36 Ca 0.47 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.86 -3.47 1.61 7.35 -0.50 -4.95 117.46 114.64 2dk1 n PHE 37 Ca 0.00 0.13 -0.03 0.00 -0.76 0.00 0.00 57.45 56.79 2dk1 n PHE 37 Cb 0.00 -1.65 -0.05 0.00 0.35 0.00 0.00 39.48 38.13 2dk1 n PHE 37 CO 0.00 0.00 0.00 1.14 -0.76 0.00 0.00 176.76 177.14 2dk1 s GLN 38 N -3.02 0.47 0.01 -4.13 -2.07 -1.26 -5.01 119.66 104.66 2dk1 s GLN 38 Ca 0.50 1.08 -0.02 0.00 -1.82 0.00 0.00 55.36 55.11 2dk1 s GLN 38 Cb -0.20 0.43 -0.01 0.00 -1.09 0.00 0.00 33.01 32.14 2dk1 s GLN 38 CO 0.73 -0.39 0.01 0.20 -1.32 0.00 0.00 175.29 174.52 2dk1 s GLY 39 N 2.76 0.18 0.28 2.60 0.00 -1.26 -4.88 107.32 106.99 2dk1 s GLY 39 Ca 0.05 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.33 2dk1 s GLY 39 CO -0.17 -0.52 0.00 1.22 0.00 0.00 0.00 173.10 173.62 2dk1 n ASP 40 N 1.67 -4.59 -1.47 1.64 9.92 -1.26 -5.03 116.55 117.43 2dk1 n ASP 40 Ca -0.23 0.77 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 2dk1 n ASP 40 Cb 0.55 -2.00 0.00 0.00 -0.64 0.00 0.00 41.12 39.03 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2dk1 n LEU 41 N -1.44 -1.99 -1.31 0.64 7.94 -1.26 -4.93 117.00 114.64 2dk1 n LEU 41 Ca 0.00 2.79 0.15 0.00 -1.11 0.00 0.00 56.01 57.84 2dk1 n LEU 41 Cb 0.11 -2.74 -0.07 0.00 0.53 0.00 0.00 43.42 41.26 2dk1 n LEU 41 CO 0.00 0.10 -0.44 1.17 -1.11 0.00 0.00 177.39 177.11 2dk1 n LYS 42 N -1.33 -2.71 -1.67 1.96 0.00 -1.26 -4.46 118.16 108.68 2dk1 n LYS 42 Ca 0.00 2.10 -0.43 0.00 0.00 0.00 0.00 58.31 59.98 2dk1 n LYS 42 Cb 0.12 -3.30 -0.03 0.00 0.00 0.00 0.00 35.03 31.82 2dk1 n LYS 42 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2dk1 s LYS 43 N -3.68 3.34 0.15 1.64 1.02 -1.26 -4.86 119.74 116.09 2dk1 s LYS 43 Ca 0.00 2.06 -0.29 0.00 0.02 0.00 0.00 55.97 57.76 2dk1 s LYS 43 Cb 0.00 -4.31 -0.03 0.00 -0.52 0.00 0.00 37.83 32.97 2dk1 s LYS 43 CO 0.00 -1.86 1.55 1.15 -0.92 0.00 0.00 175.35 175.27 2dk1 h THR 44 N 6.82 0.03 0.00 2.17 2.02 -1.90 -3.43 112.91 118.63 2dk1 h THR 44 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 2dk1 h THR 44 Cb 1.23 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2dk1 h THR 44 CO 0.96 0.00 0.00 -1.20 0.37 0.00 0.00 175.52 175.65 2dk1 n SER 45 N -5.37 0.00 0.00 4.18 7.64 -1.26 -4.88 113.62 113.93 2dk1 n SER 45 Ca -0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2dk1 n SER 45 Cb 0.33 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 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 1.75 3.71 0.23 0.00 -1.26 -4.86 105.19 104.75 2dk1 n GLY 46 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 4.42 -0.09 1.61 0.04 -1.26 -5.02 135.00 134.70 2dk1 s PRO 47 Ca 0.00 1.71 -0.07 0.00 0.04 0.00 0.00 61.00 62.68 2dk1 s PRO 47 Cb 0.00 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 31.15 2dk1 s PRO 47 CO 0.00 -0.29 0.22 -1.54 0.04 0.00 0.00 177.00 175.43 2dk1 s SER 48 N 1.19 -0.23 0.44 6.66 1.04 -1.26 -5.17 113.70 116.37 2dk1 s SER 48 Ca 0.57 0.45 0.07 0.00 0.48 0.00 0.00 55.95 57.52 2dk1 s SER 48 Cb -0.27 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2dk1 s SER 48 CO 0.27 -0.10 0.21 -0.55 0.98 0.00 0.00 173.24 174.06 2dk1 s SER 49 N 0.37 4.47 0.00 7.02 0.15 -1.26 -5.29 113.70 119.16 2dk1 s SER 49 Ca -0.02 -1.13 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2dk1 s SER 49 Cb -0.04 -0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.01 2dk1 s SER 49 CO -0.02 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.37