#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 0.16 -0.02 1.61 0.01 -1.26 -5.13 113.70 109.07 2dk1 s SER 2 Ca 0.00 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.25 2dk1 s SER 2 Cb 0.00 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.21 2dk1 s SER 2 CO 0.00 0.01 -0.02 -0.94 0.41 0.00 0.00 173.24 172.69 2dk1 s SER 3 N 0.06 0.44 0.00 2.44 1.04 -1.26 -4.99 113.70 111.42 2dk1 s SER 3 Ca -0.00 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.38 2dk1 s SER 3 Cb -0.02 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 2dk1 s SER 3 CO -0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.80 2dk1 n GLY 4 N 3.54 2.84 3.68 7.32 0.00 -1.26 -5.09 105.19 116.21 2dk1 n GLY 4 Ca -0.20 -1.79 -0.36 0.00 0.00 0.00 0.00 46.02 43.67 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 -0.42 6.17 0.32 1.61 0.01 -1.26 -4.83 113.70 115.29 2dk1 s SER 5 Ca 0.00 0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.43 2dk1 s SER 5 Cb 0.00 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2dk1 s SER 5 CO 0.00 0.08 0.00 -0.24 0.41 0.00 0.00 173.24 173.49 2dk1 n SER 6 N 4.12 -2.51 0.00 2.44 2.88 -1.26 -5.17 113.62 114.12 2dk1 n SER 6 Ca -0.15 0.60 0.00 0.00 -1.33 0.00 0.00 58.87 58.00 2dk1 n SER 6 Cb 0.52 2.47 0.00 0.00 -0.75 0.00 0.00 64.21 66.45 2dk1 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk1 n GLY 7 N -0.88 1.62 2.74 0.46 0.00 -1.26 -4.84 105.19 103.03 2dk1 n GLY 7 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.00 0.74 0.24 1.61 1.81 -1.26 -4.96 118.95 115.12 2dk1 s ARG 8 Ca 0.00 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 2dk1 s ARG 8 Cb 0.00 -2.01 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 2dk1 s ARG 8 CO 0.00 -0.93 0.12 -1.58 -0.68 0.00 0.00 175.30 172.23 2dk1 s TRP 9 N 1.64 1.38 -0.14 -0.53 0.52 -1.26 -3.11 118.94 117.44 2dk1 s TRP 9 Ca 0.08 -1.30 -0.12 0.00 0.02 0.00 0.00 56.10 54.77 2dk1 s TRP 9 Cb -0.17 -0.74 0.04 0.00 -1.15 0.00 0.00 33.47 31.45 2dk1 s TRP 9 CO -0.23 -0.50 0.38 0.14 0.02 0.00 0.00 176.95 176.76 2dk1 s VAL 10 N -3.92 -0.00 -0.06 4.03 -7.23 -0.79 -4.58 120.40 107.85 2dk1 s VAL 10 Ca 0.38 0.02 -0.16 0.00 -1.81 0.00 0.00 61.98 60.41 2dk1 s VAL 10 Cb 0.07 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.43 2dk1 s VAL 10 CO 0.14 0.01 0.43 -0.70 -0.31 0.00 0.00 175.10 174.66 2dk1 s GLU 11 N 0.37 4.13 0.00 4.82 2.12 -1.26 -1.27 118.70 127.61 2dk1 s GLU 11 Ca -0.01 0.41 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2dk1 s GLU 11 Cb -0.04 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2dk1 s GLU 11 CO -0.01 0.44 0.00 0.41 -0.54 0.00 0.00 175.26 175.56 2dk1 n GLY 12 N 2.52 5.23 3.19 -1.50 0.00 -0.03 -4.99 105.19 109.61 2dk1 n GLY 12 Ca -0.11 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 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 1.51 0.11 0.00 -0.61 -1.09 -1.26 -3.22 121.20 116.65 2dk1 s ILE 13 Ca 0.00 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.50 2dk1 s ILE 13 Cb 0.00 -0.96 0.00 0.00 -1.58 0.00 0.00 42.46 39.92 2dk1 s ILE 13 CO 0.00 -0.51 0.00 0.35 -1.23 0.00 0.00 174.94 173.55 2dk1 n THR 14 N 0.59 0.00 0.00 2.92 -2.24 -0.37 -4.84 114.28 110.34 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 0.59 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 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 -1.50 0.00 -0.34 3.42 7.64 -1.26 -2.92 113.62 118.66 2dk1 n SER 15 Ca 0.00 0.03 -0.09 0.00 1.01 0.00 0.00 58.87 59.82 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 -0.05 -0.35 0.00 1.43 4.71 -1.26 -4.74 120.64 120.38 2dk1 n GLU 16 Ca 0.00 1.25 0.00 0.00 -0.01 0.00 0.00 57.16 58.40 2dk1 n GLU 16 Cb 0.00 -1.84 0.00 0.00 -1.01 0.00 0.00 31.44 28.59 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 -1.20 0.00 3.80 0.62 0.00 -1.15 -5.15 105.19 102.11 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 -0.65 1.61 2.02 -1.26 -4.77 117.35 117.87 2dk1 s TYR 18 Ca 0.00 0.66 -0.27 0.00 -0.37 0.00 0.00 57.07 57.09 2dk1 s TYR 18 Cb 0.00 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.37 2dk1 s TYR 18 CO 0.00 0.50 1.57 -1.01 -1.57 0.00 0.00 175.55 175.04 2dk1 s HIS 19 N -0.40 1.99 0.39 2.71 3.76 -1.26 -1.24 115.29 121.24 2dk1 s HIS 19 Ca 0.17 0.40 0.08 0.00 -0.15 0.00 0.00 55.06 55.56 2dk1 s HIS 19 Cb -0.13 -4.35 -0.03 0.00 1.11 0.00 0.00 32.58 29.18 2dk1 s HIS 19 CO 0.06 -2.18 0.30 1.52 -0.85 0.00 0.00 174.74 173.58 2dk1 s TYR 20 N 7.31 2.73 -0.05 1.40 1.13 -1.20 -4.90 117.35 123.78 2dk1 s TYR 20 Ca 0.52 -0.45 0.05 0.00 -1.41 0.00 0.00 57.07 55.78 2dk1 s TYR 20 Cb -0.11 -1.99 -0.00 0.00 -1.10 0.00 0.00 41.96 38.76 2dk1 s TYR 20 CO 0.19 0.05 -0.19 0.71 -2.51 0.00 0.00 175.55 173.80 2dk1 s TYR 21 N -2.45 1.92 0.34 -3.49 2.02 -1.18 -0.85 117.35 113.66 2dk1 s TYR 21 Ca 0.44 -0.57 0.08 0.00 -0.37 0.00 0.00 57.07 56.65 2dk1 s TYR 21 Cb -0.03 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2dk1 s TYR 21 CO 0.26 -0.19 0.11 -0.47 -1.57 0.00 0.00 175.55 173.69 2dk1 s TYR 22 N 0.01 2.68 -0.11 2.71 5.04 -0.40 -2.53 117.35 124.75 2dk1 s TYR 22 Ca -0.05 -0.38 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 2dk1 s TYR 22 Cb -0.12 -1.59 0.00 0.00 0.35 0.00 0.00 41.96 40.60 2dk1 s TYR 22 CO 0.03 0.38 -0.23 -0.51 -1.34 0.00 0.00 175.55 173.88 2dk1 s ASP 23 N -3.81 3.02 -0.01 4.32 1.01 0.33 -1.89 116.67 119.64 2dk1 s ASP 23 Ca 0.37 -0.56 0.15 0.00 0.71 0.00 0.00 52.55 53.22 2dk1 s ASP 23 Cb -0.02 -1.39 -0.20 0.00 1.01 0.00 0.00 42.92 42.32 2dk1 s ASP 23 CO 0.22 0.13 0.69 0.00 0.21 0.00 0.00 175.17 176.42 2dk1 n LEU 24 N 3.70 0.82 -0.11 1.23 -0.00 -1.18 -2.48 117.00 118.97 2dk1 n LEU 24 Ca -0.19 0.38 -0.03 0.00 -0.00 0.00 0.00 56.01 56.16 2dk1 n LEU 24 Cb 0.52 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 0.43 -0.38 -0.00 0.00 0.00 177.39 178.01 2dk1 n ILE 25 N -2.96 -0.18 0.00 1.47 -0.00 -1.26 -4.15 119.36 112.27 2dk1 n ILE 25 Ca -0.15 1.54 0.00 0.00 -0.00 0.00 0.00 62.75 64.15 2dk1 n ILE 25 Cb 0.97 -2.00 0.00 0.00 -0.00 0.00 0.00 39.64 38.62 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 -3.56 3.84 0.00 4.38 7.64 -1.26 -5.05 113.62 119.61 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 3.22 0.35 3.97 0.23 0.00 -1.04 -5.10 105.19 106.83 2dk1 n GLY 27 Ca 0.00 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.69 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 4.00 -0.06 4.61 0.00 -1.14 -4.85 121.76 124.32 2dk1 s ALA 28 Ca 0.00 -1.26 -0.16 0.00 0.00 0.00 0.00 51.96 50.54 2dk1 s ALA 28 Cb 0.00 -1.81 0.03 0.00 0.00 0.00 0.00 23.12 21.34 2dk1 s ALA 28 CO 0.00 0.02 0.38 -1.54 0.00 0.00 0.00 175.76 174.62 2dk1 s SER 29 N -4.09 -0.32 -0.12 0.00 1.04 -1.26 0.12 113.70 109.07 2dk1 s SER 29 Ca 0.41 0.39 -0.29 0.00 0.48 0.00 0.00 55.95 56.94 2dk1 s SER 29 Cb -0.09 0.50 0.07 0.00 0.10 0.00 0.00 66.02 66.60 2dk1 s SER 29 CO 0.32 -0.37 0.69 -1.58 0.98 0.00 0.00 173.24 173.28 2dk1 s GLN 30 N -0.82 0.99 -0.01 4.02 0.74 -1.05 -5.04 119.66 118.49 2dk1 s GLN 30 Ca -0.09 0.48 -0.24 0.00 0.05 0.00 0.00 55.36 55.56 2dk1 s GLN 30 Cb -0.04 0.47 -0.19 0.00 1.10 0.00 0.00 33.01 34.35 2dk1 s GLN 30 CO 0.04 -0.26 1.26 -1.49 -0.55 0.00 0.00 175.29 174.29 2dk1 h TRP 31 N 3.63 0.18 -3.68 1.67 -0.00 -1.95 -3.12 115.95 112.69 2dk1 h TRP 31 Ca -0.28 -0.06 -0.46 0.00 -0.00 0.00 0.00 58.89 58.10 2dk1 h TRP 31 Cb 1.15 -0.04 0.18 0.00 -0.00 0.00 0.00 29.16 30.45 2dk1 h TRP 31 CO 0.38 0.65 0.13 -1.21 -0.00 0.00 0.00 178.44 178.39 2dk1 s GLU 32 N -4.09 0.03 -0.03 0.49 2.02 -1.26 -4.62 118.70 111.24 2dk1 s GLU 32 Ca -0.15 0.77 -0.13 0.00 0.02 0.00 0.00 54.97 55.48 2dk1 s GLU 32 Cb 0.03 -1.67 -0.05 0.00 0.10 0.00 0.00 34.13 32.53 2dk1 s GLU 32 CO 0.71 -3.07 0.34 0.21 0.02 0.00 0.00 175.26 173.48 2dk1 s LYS 33 N -4.73 3.80 0.49 1.61 2.20 -1.26 -4.74 119.74 117.11 2dk1 s LYS 33 Ca 0.66 0.28 -0.20 0.00 -0.36 0.00 0.00 55.97 56.35 2dk1 s LYS 33 Cb -0.21 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 32.81 2dk1 s LYS 33 CO 0.60 0.71 1.04 -1.25 -0.36 0.00 0.00 175.35 176.09 2dk1 s PRO 34 N -1.05 3.80 0.00 4.03 0.04 -1.26 -4.98 135.00 135.58 2dk1 s PRO 34 Ca 0.21 1.36 0.00 0.00 0.04 0.00 0.00 61.00 62.61 2dk1 s PRO 34 Cb -0.15 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2dk1 s PRO 34 CO 0.11 -0.43 0.50 -1.91 0.04 0.00 0.00 177.00 175.31 2dk1 n GLU 35 N -0.98 0.00 -3.20 4.56 2.13 -1.26 -2.78 120.64 119.11 2dk1 n GLU 35 Ca 0.09 0.50 -0.45 0.00 0.66 0.00 0.00 57.16 57.97 2dk1 n GLU 35 Cb 0.53 -0.94 0.00 0.00 0.27 0.00 0.00 31.44 31.29 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 -0.95 4.06 0.00 8.31 0.00 -1.26 -4.81 105.19 110.54 2dk1 n GLY 36 Ca 0.00 -2.43 0.00 0.00 0.00 0.00 0.00 46.02 43.59 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 3.40 0.00 0.00 1.61 7.35 -1.12 -4.28 117.46 124.42 2dk1 n PHE 37 Ca 0.28 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.97 2dk1 n PHE 37 Cb 0.40 -0.25 0.00 0.00 0.35 0.00 0.00 39.48 39.97 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 -1.92 0.00 0.00 -4.13 1.13 -1.26 -4.70 117.38 106.50 2dk1 n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2dk1 n GLN 38 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2dk1 n GLY 39 N 0.00 1.09 3.59 1.08 0.00 -1.26 -4.89 105.19 104.79 2dk1 n GLY 39 Ca 0.00 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 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 -4.00 5.58 0.26 1.61 1.11 -1.26 -4.59 116.67 115.37 2dk1 s ASP 40 Ca 0.00 1.27 0.00 0.00 0.18 0.00 0.00 52.55 54.00 2dk1 s ASP 40 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 2dk1 s ASP 40 CO 0.00 -1.96 0.00 -0.11 1.18 0.00 0.00 175.17 174.28 2dk1 n LEU 41 N 11.45 -0.03 0.08 1.23 7.94 -1.26 -5.05 117.00 131.35 2dk1 n LEU 41 Ca 0.25 0.43 0.00 0.00 -1.11 0.00 0.00 56.01 55.59 2dk1 n LEU 41 Cb 0.48 0.31 0.00 0.00 0.53 0.00 0.00 43.42 44.74 2dk1 n LEU 41 CO 0.69 -0.77 0.00 1.17 -1.11 0.00 0.00 177.39 177.36 2dk1 n LYS 42 N -3.43 0.00 -2.25 1.96 0.00 -1.26 -5.01 118.16 108.18 2dk1 n LYS 42 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 2dk1 n LYS 42 Cb 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 35.03 34.80 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 -1.80 4.26 0.08 1.64 3.01 -1.26 -5.00 119.74 120.65 2dk1 s LYS 43 Ca 0.00 1.92 0.05 0.00 -1.01 0.00 0.00 55.97 56.93 2dk1 s LYS 43 Cb 0.00 -3.70 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 2dk1 s LYS 43 CO 0.00 -0.65 -0.14 -0.08 0.51 0.00 0.00 175.35 174.99 2dk1 s THR 44 N 2.96 1.15 -0.47 2.17 -1.32 -1.26 -4.80 115.64 114.08 2dk1 s THR 44 Ca 0.63 -1.36 0.06 0.00 -1.21 0.00 0.00 61.69 59.81 2dk1 s THR 44 Cb -0.29 -1.14 0.20 0.00 -1.51 0.00 0.00 72.50 69.77 2dk1 s THR 44 CO 0.24 -0.24 0.46 -1.54 -2.21 0.00 0.00 174.62 171.33 2dk1 n SER 45 N 1.20 0.62 0.00 8.08 3.41 -1.26 -5.08 113.62 120.58 2dk1 n SER 45 Ca -0.21 -2.69 0.00 0.00 -0.26 0.00 0.00 58.87 55.71 2dk1 n SER 45 Cb 0.54 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2dk1 n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dk1 n GLY 46 N 2.06 -0.42 3.62 5.00 0.00 -1.26 -5.08 105.19 109.12 2dk1 n GLY 46 Ca 0.26 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 3.82 -0.19 1.61 0.04 -1.26 -4.95 135.00 132.06 2dk1 s PRO 47 Ca 0.00 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 61.96 2dk1 s PRO 47 Cb 0.00 -3.93 0.13 0.00 0.04 0.00 0.00 34.50 30.74 2dk1 s PRO 47 CO 0.00 -1.25 1.02 0.45 0.04 0.00 0.00 177.00 177.26 2dk1 s SER 48 N 3.21 -0.38 -0.06 6.66 0.15 -1.26 -5.16 113.70 116.87 2dk1 s SER 48 Ca 0.59 0.49 -0.03 0.00 0.70 0.00 0.00 55.95 57.71 2dk1 s SER 48 Cb -0.17 0.42 0.04 0.00 -1.71 0.00 0.00 66.02 64.60 2dk1 s SER 48 CO 0.26 -0.29 0.09 -0.44 1.20 0.00 0.00 173.24 174.06 2dk1 s SER 49 N -0.79 1.12 0.00 5.45 0.01 -1.26 -5.13 113.70 113.10 2dk1 s SER 49 Ca -0.00 0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.35 2dk1 s SER 49 Cb -0.02 -0.04 0.00 0.00 0.21 0.00 0.00 66.02 66.18 2dk1 s SER 49 CO -0.01 -0.26 0.03 0.61 0.41 0.00 0.00 173.24 174.02