#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 -7.74 0.14 1.61 7.64 -1.26 -5.06 113.62 108.96 2dk1 n SER 2 Ca 0.00 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2dk1 n SER 2 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 2dk1 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk1 n SER 3 N 1.40 -1.04 -2.09 6.43 7.64 -1.26 -5.15 113.62 119.54 2dk1 n SER 3 Ca 0.00 0.49 -0.00 0.00 1.01 0.00 0.00 58.87 60.37 2dk1 n SER 3 Cb 0.00 1.14 -0.00 0.00 -1.01 0.00 0.00 64.21 64.33 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 0.70 -5.19 3.55 0.23 0.00 -1.26 -4.91 105.19 98.30 2dk1 n GLY 4 Ca 0.00 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.48 6.37 -0.23 1.61 0.15 -1.26 -4.98 113.70 114.88 2dk1 s SER 5 Ca -0.02 -0.06 -0.08 0.00 0.70 0.00 0.00 55.95 56.48 2dk1 s SER 5 Cb 0.00 -2.32 0.10 0.00 -1.71 0.00 0.00 66.02 62.09 2dk1 s SER 5 CO 0.06 -0.65 0.50 -0.44 1.20 0.00 0.00 173.24 173.90 2dk1 s SER 6 N 1.87 -0.56 0.00 5.45 0.01 -1.26 -5.14 113.70 114.07 2dk1 s SER 6 Ca 0.23 1.18 0.00 0.00 1.31 0.00 0.00 55.95 58.67 2dk1 s SER 6 Cb -0.14 1.61 0.00 0.00 0.21 0.00 0.00 66.02 67.70 2dk1 s SER 6 CO 0.16 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.20 2dk1 n GLY 7 N 5.31 4.05 2.74 3.44 0.00 -1.26 -4.28 105.19 115.18 2dk1 n GLY 7 Ca -0.11 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.76 0.73 0.25 1.61 1.81 -1.26 -4.91 118.95 113.43 2dk1 s ARG 8 Ca 0.00 -1.00 0.01 0.00 -1.72 0.00 0.00 55.73 53.02 2dk1 s ARG 8 Cb 0.00 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.45 2dk1 s ARG 8 CO 0.00 -0.94 0.14 -1.58 -0.68 0.00 0.00 175.30 172.24 2dk1 s TRP 9 N 1.64 1.42 -0.14 -0.53 0.52 -1.26 -3.03 118.94 117.56 2dk1 s TRP 9 Ca 0.08 -1.36 -0.06 0.00 0.02 0.00 0.00 56.10 54.79 2dk1 s TRP 9 Cb -0.17 -0.73 0.07 0.00 -1.15 0.00 0.00 33.47 31.48 2dk1 s TRP 9 CO -0.23 -0.56 0.31 0.14 0.02 0.00 0.00 176.95 176.63 2dk1 s VAL 10 N -3.85 -0.34 -0.03 4.03 -7.23 -1.12 -4.95 120.40 106.90 2dk1 s VAL 10 Ca 0.38 0.21 -0.25 0.00 -1.81 0.00 0.00 61.98 60.50 2dk1 s VAL 10 Cb 0.06 -0.50 -0.04 0.00 0.56 0.00 0.00 36.38 36.47 2dk1 s VAL 10 CO 0.15 0.09 0.78 -0.70 -0.31 0.00 0.00 175.10 175.11 2dk1 s GLU 11 N 2.09 4.48 0.00 4.82 2.12 -1.26 -2.82 118.70 128.12 2dk1 s GLU 11 Ca -0.03 1.05 0.00 0.00 0.36 0.00 0.00 54.97 56.35 2dk1 s GLU 11 Cb -0.11 -3.44 0.00 0.00 0.26 0.00 0.00 34.13 30.84 2dk1 s GLU 11 CO -0.10 0.06 0.00 0.41 -0.54 0.00 0.00 175.26 175.09 2dk1 n GLY 12 N 2.96 5.53 3.24 -1.50 0.00 -0.95 -5.01 105.19 109.46 2dk1 n GLY 12 Ca 0.01 -0.83 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 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 2.07 0.12 0.00 -0.61 -1.09 -1.26 -3.48 121.20 116.95 2dk1 s ILE 13 Ca 0.00 -1.03 0.00 0.00 -2.23 0.00 0.00 60.65 57.39 2dk1 s ILE 13 Cb 0.00 -1.31 0.00 0.00 -1.58 0.00 0.00 42.46 39.57 2dk1 s ILE 13 CO 0.00 -0.56 0.00 0.35 -1.23 0.00 0.00 174.94 173.50 2dk1 n THR 14 N -0.11 0.00 0.00 2.92 -2.24 -0.85 -4.86 114.28 109.14 2dk1 n THR 14 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 2dk1 n THR 14 Cb 0.63 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 -1.05 0.00 -0.35 3.42 7.64 -1.26 -2.82 113.62 119.20 2dk1 n SER 15 Ca 0.00 0.21 -0.09 0.00 1.01 0.00 0.00 58.87 60.00 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 -0.36 -0.37 0.00 1.43 1.02 -1.26 -4.77 120.64 116.33 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 3.85 0.62 0.00 -1.13 -5.16 105.19 102.17 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 3.59 -0.79 1.61 2.02 -1.26 -4.79 117.35 117.72 2dk1 s TYR 18 Ca 0.00 0.56 -0.26 0.00 -0.37 0.00 0.00 57.07 57.00 2dk1 s TYR 18 Cb 0.00 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 2dk1 s TYR 18 CO 0.00 0.65 1.49 -1.01 -1.57 0.00 0.00 175.55 175.12 2dk1 s HIS 19 N -0.81 2.17 0.50 2.71 3.76 -1.26 -2.00 115.29 120.37 2dk1 s HIS 19 Ca 0.15 -0.00 0.08 0.00 -0.15 0.00 0.00 55.06 55.14 2dk1 s HIS 19 Cb -0.12 -4.49 0.05 0.00 1.11 0.00 0.00 32.58 29.13 2dk1 s HIS 19 CO 0.04 -2.06 0.69 1.52 -0.85 0.00 0.00 174.74 174.08 2dk1 s TYR 20 N 6.62 2.12 0.01 1.40 1.13 -1.23 -4.90 117.35 122.50 2dk1 s TYR 20 Ca 0.47 -0.54 0.04 0.00 -1.41 0.00 0.00 57.07 55.63 2dk1 s TYR 20 Cb -0.07 -2.33 -0.01 0.00 -1.10 0.00 0.00 41.96 38.45 2dk1 s TYR 20 CO 0.09 -0.81 -0.11 0.71 -2.51 0.00 0.00 175.55 172.91 2dk1 s TYR 21 N -2.53 1.01 0.36 -3.49 2.02 -1.14 -2.24 117.35 111.33 2dk1 s TYR 21 Ca 0.59 -0.24 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 2dk1 s TYR 21 Cb -0.08 -0.63 -0.07 0.00 -0.40 0.00 0.00 41.96 40.78 2dk1 s TYR 21 CO 0.36 -0.01 0.01 -0.47 -1.57 0.00 0.00 175.55 173.87 2dk1 s TYR 22 N -0.47 2.28 -0.09 2.71 5.04 -1.13 -2.55 117.35 123.14 2dk1 s TYR 22 Ca 0.03 -0.74 0.02 0.00 -2.44 0.00 0.00 57.07 53.93 2dk1 s TYR 22 Cb -0.05 -1.51 0.01 0.00 0.35 0.00 0.00 41.96 40.76 2dk1 s TYR 22 CO 0.00 0.31 -0.14 -0.51 -1.34 0.00 0.00 175.55 173.87 2dk1 s ASP 23 N -3.60 2.25 0.01 4.32 1.01 0.13 -2.78 116.67 118.01 2dk1 s ASP 23 Ca 0.35 -0.38 0.15 0.00 0.71 0.00 0.00 52.55 53.37 2dk1 s ASP 23 Cb 0.08 -1.01 -0.18 0.00 1.01 0.00 0.00 42.92 42.82 2dk1 s ASP 23 CO 0.16 0.02 0.74 0.00 0.21 0.00 0.00 175.17 176.31 2dk1 n LEU 24 N 4.09 0.87 -0.11 1.23 -0.00 -1.17 -2.42 117.00 119.49 2dk1 n LEU 24 Ca -0.20 0.40 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2dk1 n LEU 24 Cb 0.51 0.12 -0.03 0.00 -0.00 0.00 0.00 43.42 44.03 2dk1 n LEU 24 CO 0.24 0.27 0.43 -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 -4.15 119.36 112.27 2dk1 n ILE 25 Ca -0.13 1.54 0.00 0.00 -0.00 0.00 0.00 62.75 64.16 2dk1 n ILE 25 Cb 0.95 -1.99 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 -3.54 3.88 0.00 4.38 7.64 -1.26 -5.05 113.62 119.67 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 0.10 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 3.23 0.32 3.99 0.23 0.00 -1.02 -5.10 105.19 106.85 2dk1 n GLY 27 Ca 0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 46.02 45.65 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 4.23 -0.08 4.61 0.00 -1.13 -4.86 121.76 124.52 2dk1 s ALA 28 Ca 0.00 -1.46 -0.16 0.00 0.00 0.00 0.00 51.96 50.35 2dk1 s ALA 28 Cb 0.00 -1.77 0.03 0.00 0.00 0.00 0.00 23.12 21.38 2dk1 s ALA 28 CO 0.00 -0.25 0.38 -1.54 0.00 0.00 0.00 175.76 174.35 2dk1 s SER 29 N -4.27 -0.32 -0.07 0.00 1.04 -1.26 0.20 113.70 109.02 2dk1 s SER 29 Ca 0.50 0.45 -0.30 0.00 0.48 0.00 0.00 55.95 57.08 2dk1 s SER 29 Cb -0.10 0.55 0.09 0.00 0.10 0.00 0.00 66.02 66.66 2dk1 s SER 29 CO 0.34 -0.32 0.78 -1.58 0.98 0.00 0.00 173.24 173.44 2dk1 s GLN 30 N -0.63 0.91 -0.11 4.02 0.74 -1.06 -5.04 119.66 118.51 2dk1 s GLN 30 Ca -0.07 0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.35 2dk1 s GLN 30 Cb -0.04 0.43 -0.14 0.00 1.10 0.00 0.00 33.01 34.36 2dk1 s GLN 30 CO 0.03 -0.29 0.49 -1.49 -0.55 0.00 0.00 175.29 173.48 2dk1 h TRP 31 N 2.78 -0.05 -2.92 1.67 -0.00 -1.95 -3.02 115.95 112.46 2dk1 h TRP 31 Ca -0.24 -0.00 -0.43 0.00 -0.00 0.00 0.00 58.89 58.21 2dk1 h TRP 31 Cb 1.16 0.02 0.22 0.00 -0.00 0.00 0.00 29.16 30.56 2dk1 h TRP 31 CO 0.34 0.45 -0.27 0.39 -0.00 0.00 0.00 178.44 179.36 2dk1 n GLU 32 N -4.74 -2.52 -3.44 0.49 1.02 -1.26 -4.59 120.64 105.59 2dk1 n GLU 32 Ca -0.06 -0.71 -0.37 0.00 -0.02 0.00 0.00 57.16 56.00 2dk1 n GLU 32 Cb 0.25 -2.05 -0.07 0.00 -0.02 0.00 0.00 31.44 29.56 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 -4.18 4.29 0.55 3.49 2.20 -1.26 -4.83 119.74 119.99 2dk1 s LYS 33 Ca 0.66 0.24 -0.17 0.00 -0.36 0.00 0.00 55.97 56.33 2dk1 s LYS 33 Cb -0.23 -3.44 -0.06 0.00 -1.51 0.00 0.00 37.83 32.60 2dk1 s LYS 33 CO 0.66 0.19 1.04 -1.25 -0.36 0.00 0.00 175.35 175.63 2dk1 s PRO 34 N 0.57 3.55 -0.54 4.03 0.04 -1.26 -4.88 135.00 136.51 2dk1 s PRO 34 Ca 0.20 1.24 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 2dk1 s PRO 34 Cb -0.14 -2.06 -0.20 0.00 0.04 0.00 0.00 34.50 32.14 2dk1 s PRO 34 CO 0.06 -0.63 1.81 -1.91 0.04 0.00 0.00 177.00 176.38 2dk1 n GLU 35 N -1.60 1.09 0.09 4.56 2.13 -1.26 -2.84 120.64 122.81 2dk1 n GLU 35 Ca 0.09 -1.52 0.00 0.00 0.66 0.00 0.00 57.16 56.39 2dk1 n GLU 35 Cb 0.53 -2.72 0.00 0.00 0.27 0.00 0.00 31.44 29.52 2dk1 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 36 N 4.55 -1.48 3.46 8.31 0.00 -1.26 -4.90 105.19 113.86 2dk1 n GLY 36 Ca 0.46 0.47 -0.52 0.00 0.00 0.00 0.00 46.02 46.43 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 -3.12 0.12 -0.01 1.61 7.35 -1.13 -4.71 117.46 117.57 2dk1 n PHE 37 Ca 0.00 0.98 -0.01 0.00 -0.76 0.00 0.00 57.45 57.66 2dk1 n PHE 37 Cb 0.00 -2.04 -0.01 0.00 0.35 0.00 0.00 39.48 37.78 2dk1 n PHE 37 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2dk1 n GLN 38 N 1.25 0.67 -0.38 -4.13 10.64 -1.26 -4.95 117.38 119.22 2dk1 n GLN 38 Ca 0.18 0.01 0.00 0.00 -1.83 0.00 0.00 57.00 55.36 2dk1 n GLN 38 Cb 0.18 -1.03 0.00 0.00 -0.86 0.00 0.00 30.24 28.53 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2dk1 n GLY 39 N 3.34 0.79 2.30 2.61 0.00 -1.26 -4.92 105.19 108.05 2dk1 n GLY 39 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2dk1 n GLY 39 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dk1 n ASP 40 N -0.34 -9.55 -3.55 1.61 8.00 -1.26 -5.08 116.55 106.39 2dk1 n ASP 40 Ca 0.00 1.76 0.00 0.00 0.71 0.00 0.00 54.79 57.26 2dk1 n ASP 40 Cb 0.13 -5.26 -0.06 0.00 -0.02 0.00 0.00 41.12 35.91 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2dk1 s LEU 41 N -0.59 -0.38 0.00 0.64 2.96 -1.26 -5.00 118.68 115.06 2dk1 s LEU 41 Ca 0.00 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.48 2dk1 s LEU 41 Cb 0.00 1.51 0.00 0.00 0.50 0.00 0.00 46.19 48.20 2dk1 s LEU 41 CO 0.00 -0.09 0.00 1.17 -1.32 0.00 0.00 176.35 176.11 2dk1 n LYS 42 N 3.93 0.00 -3.03 1.98 4.81 -1.26 -4.78 118.16 119.81 2dk1 n LYS 42 Ca -0.15 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.17 2dk1 n LYS 42 Cb 0.56 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.62 2dk1 n LYS 42 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2dk1 n LYS 43 N 0.00 -2.21 -3.56 1.64 4.76 -1.26 -4.96 118.16 112.56 2dk1 n LYS 43 Ca 0.00 1.91 -0.33 0.00 -2.87 0.00 0.00 58.31 57.01 2dk1 n LYS 43 Cb 0.00 -3.96 -0.05 0.00 -1.84 0.00 0.00 35.03 29.18 2dk1 n LYS 43 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 2dk1 s THR 44 N -1.81 5.07 0.09 -0.18 -1.32 -1.26 -5.02 115.64 111.22 2dk1 s THR 44 Ca 0.17 0.37 -0.34 0.00 -1.21 0.00 0.00 61.69 60.68 2dk1 s THR 44 Cb -0.03 -3.64 -0.13 0.00 -1.51 0.00 0.00 72.50 67.18 2dk1 s THR 44 CO 0.67 0.17 1.66 -1.54 -2.21 0.00 0.00 174.62 173.37 2dk1 n SER 45 N 0.53 3.21 -3.38 8.08 3.41 -1.26 -4.96 113.62 119.25 2dk1 n SER 45 Ca -0.05 1.05 -0.17 0.00 -0.26 0.00 0.00 58.87 59.44 2dk1 n SER 45 Cb 0.52 -1.41 -0.09 0.00 -0.26 0.00 0.00 64.21 62.97 2dk1 n SER 45 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dk1 s GLY 46 N 1.79 -0.10 0.06 5.00 0.00 -1.26 -5.01 107.32 107.81 2dk1 s GLY 46 Ca 0.83 -0.57 -0.15 0.00 0.00 0.00 0.00 44.72 44.82 2dk1 s GLY 46 CO 0.41 2.69 1.20 -0.56 0.00 0.00 0.00 173.10 176.85 2dk1 h PRO 47 N 7.78 0.64 -1.06 2.90 0.13 -2.07 -3.47 132.00 136.85 2dk1 h PRO 47 Ca -0.06 -0.63 0.21 0.00 -0.87 0.00 0.00 66.00 64.66 2dk1 h PRO 47 Cb 1.07 0.16 -0.31 0.00 0.13 0.00 0.00 31.00 32.05 2dk1 h PRO 47 CO 0.28 1.23 0.91 -1.54 -0.23 0.00 0.00 178.00 178.66 2dk1 s SER 48 N -7.06 -0.04 -0.14 1.44 1.04 -1.26 -5.15 113.70 102.53 2dk1 s SER 48 Ca -0.11 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.39 2dk1 s SER 48 Cb 0.06 0.07 0.02 0.00 0.10 0.00 0.00 66.02 66.27 2dk1 s SER 48 CO 0.89 -0.02 -0.13 -0.55 0.98 0.00 0.00 173.24 174.40 2dk1 s SER 49 N -0.38 2.58 0.00 7.02 0.15 -1.26 -5.27 113.70 116.54 2dk1 s SER 49 Ca 0.08 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2dk1 s SER 49 Cb -0.03 -1.12 0.00 0.00 -1.71 0.00 0.00 66.02 63.16 2dk1 s SER 49 CO -0.13 -0.06 0.00 0.61 1.20 0.00 0.00 173.24 174.87