#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 -1.01 -3.64 1.61 7.64 -1.26 -5.11 113.62 111.85 2dk1 n SER 2 Ca 0.00 0.55 -0.07 0.00 1.01 0.00 0.00 58.87 60.35 2dk1 n SER 2 Cb 0.00 1.12 -0.09 0.00 -1.01 0.00 0.00 64.21 64.24 2dk1 n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dk1 s SER 3 N -4.35 -0.38 0.00 6.43 1.04 -1.26 -5.08 113.70 110.10 2dk1 s SER 3 Ca 0.00 1.06 0.00 0.00 0.48 0.00 0.00 55.95 57.49 2dk1 s SER 3 Cb 0.00 1.49 0.00 0.00 0.10 0.00 0.00 66.02 67.61 2dk1 s SER 3 CO 0.00 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.60 2dk1 n GLY 4 N 5.40 0.22 3.04 7.32 0.00 -1.26 -5.09 105.19 114.82 2dk1 n GLY 4 Ca -0.09 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 2dk1 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk1 n SER 5 N -0.72 -7.19 -4.61 1.61 7.64 -1.26 -4.83 113.62 104.26 2dk1 n SER 5 Ca 0.00 0.45 -0.43 0.00 1.01 0.00 0.00 58.87 59.90 2dk1 n SER 5 Cb 0.00 -4.07 -0.01 0.00 -1.01 0.00 0.00 64.21 59.12 2dk1 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dk1 n SER 6 N -0.02 1.52 0.00 6.43 2.88 -1.26 -4.77 113.62 118.40 2dk1 n SER 6 Ca 0.04 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 2dk1 n SER 6 Cb 0.47 -1.34 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 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 1.13 2.46 2.74 0.46 0.00 -1.26 -4.33 105.19 106.40 2dk1 n GLY 7 Ca 0.09 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 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 -3.52 0.74 0.10 1.61 1.81 -1.26 -4.91 118.95 113.52 2dk1 s ARG 8 Ca 0.00 -0.99 0.01 0.00 -1.72 0.00 0.00 55.73 53.03 2dk1 s ARG 8 Cb 0.00 -2.02 -0.04 0.00 -0.45 0.00 0.00 34.95 32.43 2dk1 s ARG 8 CO 0.00 -0.93 -0.03 -1.58 -0.68 0.00 0.00 175.30 172.08 2dk1 s TRP 9 N 1.64 0.84 -0.03 -0.53 0.52 -1.26 -3.15 118.94 116.97 2dk1 s TRP 9 Ca 0.08 -1.02 -0.00 0.00 0.02 0.00 0.00 56.10 55.18 2dk1 s TRP 9 Cb -0.17 -0.51 0.03 0.00 -1.15 0.00 0.00 33.47 31.67 2dk1 s TRP 9 CO -0.22 -0.27 0.05 0.14 0.02 0.00 0.00 176.95 176.66 2dk1 s VAL 10 N -3.77 -0.05 -0.38 4.03 -7.23 -0.93 -4.95 120.40 107.12 2dk1 s VAL 10 Ca 0.14 0.20 -0.25 0.00 -1.81 0.00 0.00 61.98 60.26 2dk1 s VAL 10 Cb 0.06 -0.10 0.02 0.00 0.56 0.00 0.00 36.38 36.92 2dk1 s VAL 10 CO -0.04 0.08 0.91 -0.70 -0.31 0.00 0.00 175.10 175.04 2dk1 s GLU 11 N 1.03 3.78 0.00 4.82 2.12 -1.26 -2.05 118.70 127.14 2dk1 s GLU 11 Ca -0.09 0.48 0.00 0.00 0.36 0.00 0.00 54.97 55.73 2dk1 s GLU 11 Cb -0.12 -3.82 0.00 0.00 0.26 0.00 0.00 34.13 30.45 2dk1 s GLU 11 CO -0.03 -0.97 0.00 0.41 -0.54 0.00 0.00 175.26 174.12 2dk1 n GLY 12 N 4.48 5.92 3.14 -1.50 0.00 -0.51 -4.99 105.19 111.74 2dk1 n GLY 12 Ca 0.06 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 1.50 0.09 0.00 -0.61 -1.09 -1.26 -3.03 121.20 116.80 2dk1 s ILE 13 Ca 0.00 -0.70 0.00 0.00 -2.23 0.00 0.00 60.65 57.72 2dk1 s ILE 13 Cb 0.00 -0.57 0.00 0.00 -1.58 0.00 0.00 42.46 40.31 2dk1 s ILE 13 CO 0.00 -0.39 0.00 1.07 -1.23 0.00 0.00 174.94 174.39 2dk1 n THR 14 N 1.25 0.00 -1.33 2.92 5.66 -0.85 -4.92 114.28 117.01 2dk1 n THR 14 Ca -0.22 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.32 2dk1 n THR 14 Cb 0.56 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.31 2dk1 n THR 14 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2dk1 n SER 15 N -1.44 -1.06 0.00 1.09 2.88 -1.26 -1.47 113.62 112.36 2dk1 n SER 15 Ca 0.00 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 2dk1 n SER 15 Cb 0.00 -0.89 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 2dk1 n SER 15 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2dk1 n GLU 16 N 1.00 0.00 0.00 -1.46 2.13 -1.26 -3.46 120.64 117.58 2dk1 n GLU 16 Ca 0.17 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.99 2dk1 n GLU 16 Cb 0.22 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.93 2dk1 n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dk1 n GLY 17 N 0.00 0.00 3.68 8.31 0.00 -0.54 -5.14 105.19 111.50 2dk1 n GLY 17 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.44 -0.81 1.61 1.51 -1.22 -4.82 117.35 117.05 2dk1 s TYR 18 Ca 0.00 1.09 -0.26 0.00 -1.01 0.00 0.00 57.07 56.89 2dk1 s TYR 18 Cb 0.00 -2.85 0.04 0.00 -0.11 0.00 0.00 41.96 39.03 2dk1 s TYR 18 CO 0.00 -0.12 1.32 -1.01 -1.11 0.00 0.00 175.55 174.63 2dk1 s HIS 19 N 1.69 2.35 0.37 2.71 3.76 -1.26 -2.01 115.29 122.90 2dk1 s HIS 19 Ca 0.33 -0.27 0.08 0.00 -0.15 0.00 0.00 55.06 55.05 2dk1 s HIS 19 Cb -0.16 -4.64 -0.03 0.00 1.11 0.00 0.00 32.58 28.85 2dk1 s HIS 19 CO 0.13 -2.04 0.25 1.52 -0.85 0.00 0.00 174.74 173.76 2dk1 s TYR 20 N 5.51 2.75 -0.13 1.40 -0.85 -1.17 -4.94 117.35 119.92 2dk1 s TYR 20 Ca 0.38 -0.42 0.03 0.00 -0.52 0.00 0.00 57.07 56.54 2dk1 s TYR 20 Cb -0.06 -1.87 0.00 0.00 0.38 0.00 0.00 41.96 40.41 2dk1 s TYR 20 CO 0.08 0.15 -0.21 0.71 -1.52 0.00 0.00 175.55 174.76 2dk1 s TYR 21 N -2.43 2.65 0.32 -3.49 2.02 -1.09 -1.42 117.35 113.92 2dk1 s TYR 21 Ca 0.42 -1.19 0.07 0.00 -0.37 0.00 0.00 57.07 56.00 2dk1 s TYR 21 Cb -0.03 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.71 2dk1 s TYR 21 CO 0.25 -0.52 0.30 -0.47 -1.57 0.00 0.00 175.55 173.54 2dk1 s TYR 22 N 0.65 2.97 -0.13 2.71 5.04 -0.87 -1.84 117.35 125.88 2dk1 s TYR 22 Ca -0.11 -0.25 0.02 0.00 -2.44 0.00 0.00 57.07 54.29 2dk1 s TYR 22 Cb -0.16 -1.75 0.00 0.00 0.35 0.00 0.00 41.96 40.40 2dk1 s TYR 22 CO 0.02 0.22 -0.20 -0.51 -1.34 0.00 0.00 175.55 173.74 2dk1 s ASP 23 N -3.99 3.31 -0.01 4.32 1.01 0.36 -2.18 116.67 119.49 2dk1 s ASP 23 Ca 0.40 -0.54 0.15 0.00 0.71 0.00 0.00 52.55 53.27 2dk1 s ASP 23 Cb -0.07 -1.48 -0.19 0.00 1.01 0.00 0.00 42.92 42.19 2dk1 s ASP 23 CO 0.27 0.11 0.70 0.00 0.21 0.00 0.00 175.17 176.47 2dk1 n LEU 24 N 3.85 0.83 -0.11 1.23 -0.00 -1.19 -2.46 117.00 119.15 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 0.52 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 44.06 2dk1 n LEU 24 CO 0.28 0.29 0.42 -0.38 -0.00 0.00 0.00 177.39 177.99 2dk1 n ILE 25 N -2.96 -0.17 0.00 1.47 -0.00 -1.26 -4.13 119.36 112.31 2dk1 n ILE 25 Ca -0.14 1.50 0.00 0.00 -0.00 0.00 0.00 62.75 64.10 2dk1 n ILE 25 Cb 0.96 -1.94 0.00 0.00 -0.00 0.00 0.00 39.64 38.67 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 3.90 0.00 4.38 7.64 -1.26 -5.05 113.62 119.72 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 0.11 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 0.40 3.99 0.23 0.00 -1.03 -5.10 105.19 106.91 2dk1 n GLY 27 Ca 0.00 -0.01 -0.19 0.00 0.00 0.00 0.00 46.02 45.82 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 4.28 -0.09 4.61 0.00 -1.11 -4.85 121.76 124.61 2dk1 s ALA 28 Ca 0.00 -1.51 -0.15 0.00 0.00 0.00 0.00 51.96 50.29 2dk1 s ALA 28 Cb 0.00 -1.78 0.03 0.00 0.00 0.00 0.00 23.12 21.38 2dk1 s ALA 28 CO 0.00 -0.35 0.38 -1.54 0.00 0.00 0.00 175.76 174.25 2dk1 s SER 29 N -4.33 -0.34 -0.12 0.00 1.04 -1.26 0.13 113.70 108.82 2dk1 s SER 29 Ca 0.53 0.50 -0.27 0.00 0.48 0.00 0.00 55.95 57.19 2dk1 s SER 29 Cb -0.10 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.67 2dk1 s SER 29 CO 0.34 -0.30 0.66 -1.58 0.98 0.00 0.00 173.24 173.34 2dk1 s GLN 30 N -0.51 0.94 -0.08 4.02 0.74 -0.77 -5.02 119.66 118.98 2dk1 s GLN 30 Ca -0.06 0.48 -0.23 0.00 0.05 0.00 0.00 55.36 55.59 2dk1 s GLN 30 Cb -0.04 0.45 -0.19 0.00 1.10 0.00 0.00 33.01 34.33 2dk1 s GLN 30 CO 0.03 -0.24 0.85 -1.49 -0.55 0.00 0.00 175.29 173.89 2dk1 h TRP 31 N 3.79 -0.06 -3.04 1.67 -0.00 -1.95 -2.87 115.95 113.48 2dk1 h TRP 31 Ca -0.28 -0.00 -0.41 0.00 -0.00 0.00 0.00 58.89 58.21 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 0.39 0.56 -0.09 0.39 -0.00 0.00 0.00 178.44 179.69 2dk1 n GLU 32 N -4.78 -3.65 -3.85 0.49 1.02 -1.26 -4.57 120.64 104.05 2dk1 n GLU 32 Ca -0.08 -1.06 -0.36 0.00 -0.02 0.00 0.00 57.16 55.64 2dk1 n GLU 32 Cb 0.32 -2.06 -0.11 0.00 -0.02 0.00 0.00 31.44 29.57 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 -4.68 3.85 0.22 3.49 2.20 -1.26 -4.79 119.74 118.78 2dk1 s LYS 33 Ca 0.69 -0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 2dk1 s LYS 33 Cb -0.20 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.70 2dk1 s LYS 33 CO 0.62 0.02 1.10 -1.25 -0.36 0.00 0.00 175.35 175.49 2dk1 s PRO 34 N 1.08 4.62 -0.72 4.03 0.04 -1.26 -4.89 135.00 137.90 2dk1 s PRO 34 Ca 0.05 1.76 -0.26 0.00 0.04 0.00 0.00 61.00 62.59 2dk1 s PRO 34 Cb -0.14 -3.24 -0.15 0.00 0.04 0.00 0.00 34.50 31.02 2dk1 s PRO 34 CO 0.04 0.14 2.47 -0.85 0.04 0.00 0.00 177.00 178.83 2dk1 n GLU 35 N 1.85 0.59 0.00 4.56 0.28 -1.26 -1.79 120.64 124.87 2dk1 n GLU 35 Ca 0.01 -0.14 0.00 0.00 -0.16 0.00 0.00 57.16 56.87 2dk1 n GLU 35 Cb 0.45 -2.76 0.00 0.00 1.43 0.00 0.00 31.44 30.56 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 6.23 1.91 0.31 -1.84 0.00 -1.26 -4.88 105.19 105.65 2dk1 n GLY 36 Ca 0.49 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.46 2dk1 n GLY 36 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2dk1 h PHE 37 N 0.00 0.66 0.00 1.61 3.57 -1.54 -3.43 116.94 117.81 2dk1 h PHE 37 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 2dk1 h PHE 37 Cb 0.00 -0.15 0.00 0.00 2.79 0.00 0.00 35.95 38.59 2dk1 h PHE 37 CO 0.00 -0.00 0.00 0.94 -2.23 0.00 0.00 178.31 177.02 2dk1 n GLN 38 N -5.01 0.00 0.00 1.11 -0.06 -1.26 -4.77 117.38 107.38 2dk1 n GLN 38 Ca 0.21 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.21 2dk1 n GLN 38 Cb 0.60 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.78 2dk1 n GLN 38 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2dk1 n GLY 39 N 0.00 0.48 1.44 1.69 0.00 -1.26 -5.12 105.19 102.42 2dk1 n GLY 39 Ca 0.00 -1.19 0.18 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 -8.22 -4.91 1.61 9.92 -1.26 -4.88 116.55 108.81 2dk1 n ASP 40 Ca 0.00 1.28 -0.27 0.00 -0.53 0.00 0.00 54.79 55.26 2dk1 n ASP 40 Cb 0.00 -4.84 0.01 0.00 -0.64 0.00 0.00 41.12 35.65 2dk1 n ASP 40 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2dk1 s LEU 41 N -7.26 3.42 0.07 0.64 2.96 -1.26 -5.00 118.68 112.24 2dk1 s LEU 41 Ca 0.00 0.90 -0.26 0.00 -0.22 0.00 0.00 54.13 54.54 2dk1 s LEU 41 Cb 0.00 -3.81 -0.12 0.00 0.50 0.00 0.00 46.19 42.76 2dk1 s LEU 41 CO 0.00 -0.82 1.42 0.50 -1.32 0.00 0.00 176.35 176.13 2dk1 h LYS 42 N -0.01 -0.64 0.00 1.98 3.64 -2.04 -3.31 116.57 116.19 2dk1 h LYS 42 Ca -0.46 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2dk1 h LYS 42 Cb 1.22 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 2dk1 h LYS 42 CO 0.61 -0.42 0.00 1.17 -2.27 0.00 0.00 179.45 178.54 2dk1 n LYS 43 N -4.71 0.00 -2.47 1.90 4.81 -1.26 -5.02 118.16 111.42 2dk1 n LYS 43 Ca -0.08 0.22 -0.01 0.00 -0.87 0.00 0.00 58.31 57.58 2dk1 n LYS 43 Cb 0.33 -1.09 -0.01 0.00 0.02 0.00 0.00 35.03 34.28 2dk1 n LYS 43 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 2dk1 n THR 44 N -1.16-10.36 -1.80 3.15 -1.04 -1.25 -5.02 114.28 96.79 2dk1 n THR 44 Ca 0.00 1.66 -0.30 0.00 -2.04 0.00 0.00 64.05 63.37 2dk1 n THR 44 Cb 0.00 -6.32 0.17 0.00 -1.82 0.00 0.00 70.33 62.36 2dk1 n THR 44 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2dk1 s SER 45 N -1.18 3.15 0.00 8.00 1.04 -1.26 -5.05 113.70 118.39 2dk1 s SER 45 Ca -0.04 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.84 2dk1 s SER 45 Cb 0.00 -0.65 0.00 0.00 0.10 0.00 0.00 66.02 65.47 2dk1 s SER 45 CO 0.64 -2.73 0.00 0.61 0.98 0.00 0.00 173.24 172.74 2dk1 n GLY 46 N -3.24 1.80 3.77 7.32 0.00 -1.26 -5.17 105.19 108.42 2dk1 n GLY 46 Ca 0.13 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 0.19 0.01 1.61 0.04 -1.26 -5.09 135.00 128.50 2dk1 s PRO 47 Ca 0.00 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.98 2dk1 s PRO 47 Cb 0.00 -1.76 -0.01 0.00 0.04 0.00 0.00 34.50 32.77 2dk1 s PRO 47 CO 0.00 -2.77 -0.03 -1.54 0.04 0.00 0.00 177.00 172.70 2dk1 s SER 48 N -4.28 0.27 -0.48 6.66 1.04 -1.26 -5.08 113.70 110.57 2dk1 s SER 48 Ca 0.70 -0.26 -0.43 0.00 0.48 0.00 0.00 55.95 56.43 2dk1 s SER 48 Cb -0.09 0.03 -0.19 0.00 0.10 0.00 0.00 66.02 65.87 2dk1 s SER 48 CO 0.54 -0.13 1.92 -1.54 0.98 0.00 0.00 173.24 175.01 2dk1 n SER 49 N 2.32 0.85 -0.28 7.02 3.41 -1.26 -5.39 113.62 120.29 2dk1 n SER 49 Ca -0.18 0.80 0.04 0.00 -0.26 0.00 0.00 58.87 59.26 2dk1 n SER 49 Cb 0.57 -0.86 0.03 0.00 -0.26 0.00 0.00 64.21 63.69 2dk1 n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49