#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4x s GLN 2 N 0.00 0.58 0.20 0.03 0.74 -1.26 -5.16 119.66 114.80 2k4x s GLN 2 Ca 0.00 -0.61 0.06 0.00 0.05 0.00 0.00 55.36 54.87 2k4x s GLN 2 Cb 0.00 -0.47 -0.04 0.00 1.10 0.00 0.00 33.01 33.61 2k4x s GLN 2 CO 0.00 0.11 0.12 0.15 -0.55 0.00 0.00 175.29 175.12 2k4x s LYS 3 N -1.10 2.78 -0.78 1.67 1.02 -1.26 -5.05 119.74 117.02 2k4x s LYS 3 Ca -0.04 -1.01 -0.26 0.00 0.02 0.00 0.00 55.97 54.68 2k4x s LYS 3 Cb -0.07 -2.53 0.01 0.00 -0.52 0.00 0.00 37.83 34.72 2k4x s LYS 3 CO 0.00 0.44 1.53 0.50 -0.92 0.00 0.00 175.35 176.91 2k4x s ARG 4 N -3.36 3.06 0.00 1.68 6.06 -1.26 -4.83 118.95 120.30 2k4x s ARG 4 Ca 0.31 -0.21 0.00 0.00 -2.50 0.00 0.00 55.73 53.33 2k4x s ARG 4 Cb -0.09 -4.56 0.00 0.00 0.06 0.00 0.00 34.95 30.36 2k4x s ARG 4 CO 0.23 -2.44 0.00 0.39 -2.50 0.00 0.00 175.30 170.98 2k4x n GLU 5 N 9.18 0.00 -2.64 5.12 1.02 -1.26 -4.89 120.64 127.18 2k4x n GLU 5 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 2k4x n GLU 5 Cb 0.50 -0.13 -0.03 0.00 -0.02 0.00 0.00 31.44 31.75 2k4x n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4x s LEU 6 N -3.53 3.65 0.27 -4.62 1.43 -1.26 -4.98 118.68 109.63 2k4x s LEU 6 Ca 0.00 -1.05 -0.31 0.00 -1.03 0.00 0.00 54.13 51.75 2k4x s LEU 6 Cb 0.00 -2.53 -0.12 0.00 0.03 0.00 0.00 46.19 43.58 2k4x s LEU 6 CO 0.00 -1.59 1.65 -1.22 0.23 0.00 0.00 176.35 175.42 2k4x n TYR 7 N 8.67 2.84 -1.68 0.29 4.02 -1.26 -4.91 117.16 125.13 2k4x n TYR 7 Ca 0.15 0.18 -0.41 0.00 -0.01 0.00 0.00 57.90 57.80 2k4x n TYR 7 Cb 0.49 -2.63 0.01 0.00 -0.02 0.00 0.00 39.34 37.19 2k4x n TYR 7 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 176.86 175.00 2k4x n GLU 8 N 2.77 1.82 -2.88 -0.72 0.28 -1.26 -4.94 120.64 115.71 2k4x n GLU 8 Ca 0.11 0.65 -0.42 0.00 -0.16 0.00 0.00 57.16 57.33 2k4x n GLU 8 Cb 0.36 -2.29 -0.04 0.00 1.43 0.00 0.00 31.44 30.89 2k4x n GLU 8 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 2k4x s ILE 9 N -1.20 4.66 -1.06 3.84 -4.36 -1.26 -4.99 121.20 116.84 2k4x s ILE 9 Ca 0.61 1.03 -0.16 0.00 -0.26 0.00 0.00 60.65 61.87 2k4x s ILE 9 Cb -0.53 -4.27 0.15 0.00 1.25 0.00 0.00 42.46 39.06 2k4x s ILE 9 CO 0.58 -0.48 1.26 0.00 0.24 0.00 0.00 174.94 176.55 2k4x s ALA 10 N 3.28 3.67 0.04 2.27 0.00 -1.26 -4.93 121.76 124.83 2k4x s ALA 10 Ca 0.35 -3.05 -0.25 0.00 0.00 0.00 0.00 51.96 49.01 2k4x s ALA 10 Cb -0.13 -4.08 0.06 0.00 0.00 0.00 0.00 23.12 18.98 2k4x s ALA 10 CO 0.18 -2.87 0.57 0.34 0.00 0.00 0.00 175.76 173.97 2k4x s ASP 11 N 3.24 -0.52 0.00 0.00 2.15 -1.26 -5.04 116.67 115.24 2k4x s ASP 11 Ca 0.37 0.28 0.00 0.00 0.43 0.00 0.00 52.55 53.63 2k4x s ASP 11 Cb -0.04 0.52 0.00 0.00 -0.30 0.00 0.00 42.92 43.10 2k4x s ASP 11 CO -0.05 -0.73 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 2k4x n GLY 12 N 0.40 0.67 3.25 2.66 0.00 -1.26 -5.12 105.19 105.79 2k4x n GLY 12 Ca -0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.44 2k4x n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4x s LYS 13 N 0.00 2.55 -1.28 1.61 1.02 -1.26 -4.62 119.74 117.76 2k4x s LYS 13 Ca 0.00 -1.52 -0.03 0.00 0.02 0.00 0.00 55.97 54.44 2k4x s LYS 13 Cb 0.00 -3.78 0.01 0.00 -0.52 0.00 0.00 37.83 33.54 2k4x s LYS 13 CO 0.00 -0.98 1.01 1.28 -0.92 0.00 0.00 175.35 175.74 2k4x n LEU 14 N 4.89 -3.65 -4.73 3.17 4.77 -1.26 -4.91 117.00 115.28 2k4x n LEU 14 Ca -0.09 -0.64 -0.42 0.00 -0.03 0.00 0.00 56.01 54.83 2k4x n LEU 14 Cb 0.43 -3.01 -0.02 0.00 -2.33 0.00 0.00 43.42 38.48 2k4x n LEU 14 CO 0.39 0.47 1.19 -0.69 -1.33 0.00 0.00 177.39 177.42 2k4x s VAL 15 N -3.39 2.50 -0.66 4.08 1.01 -1.26 -4.90 120.40 117.79 2k4x s VAL 15 Ca 0.20 0.39 -0.26 0.00 0.00 0.00 0.00 61.98 62.31 2k4x s VAL 15 Cb -0.09 -3.25 -0.06 0.00 0.00 0.00 0.00 36.38 32.98 2k4x s VAL 15 CO 0.75 0.05 2.12 -0.60 0.00 0.00 0.00 175.10 177.41 2k4x s ARG 16 N 0.29 2.31 -0.22 2.72 6.06 -1.26 -4.94 118.95 123.90 2k4x s ARG 16 Ca 0.65 0.66 -0.06 0.00 -2.50 0.00 0.00 55.73 54.49 2k4x s ARG 16 Cb -0.44 -4.63 -0.02 0.00 0.06 0.00 0.00 34.95 29.92 2k4x s ARG 16 CO 0.39 -3.26 0.02 0.15 -2.50 0.00 0.00 175.30 170.09 2k4x s LYS 17 N 7.66 3.58 0.51 5.12 1.02 -1.26 -5.09 119.74 131.29 2k4x s LYS 17 Ca 0.80 -0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.28 2k4x s LYS 17 Cb -0.13 -3.15 -0.01 0.00 -0.52 0.00 0.00 37.83 34.02 2k4x s LYS 17 CO 0.16 -0.10 0.00 -1.01 -0.92 0.00 0.00 175.35 173.49 2k4x s HIS 18 N 1.31 1.86 0.22 3.18 3.76 -1.26 -5.13 115.29 119.23 2k4x s HIS 18 Ca 0.04 -0.96 -0.30 0.00 -0.15 0.00 0.00 55.06 53.69 2k4x s HIS 18 Cb -0.15 -1.61 -0.09 0.00 1.11 0.00 0.00 32.58 31.85 2k4x s HIS 18 CO 0.01 0.23 0.96 1.03 -0.85 0.00 0.00 174.74 176.12 2k4x s ARG 19 N -3.88 4.81 0.55 1.40 0.52 -1.26 -5.00 118.95 116.09 2k4x s ARG 19 Ca 0.06 1.52 0.05 0.00 -0.52 0.00 0.00 55.73 56.84 2k4x s ARG 19 Cb 0.02 -3.28 0.05 0.00 0.52 0.00 0.00 34.95 32.26 2k4x s ARG 19 CO 0.03 0.43 0.46 1.19 0.02 0.00 0.00 175.30 177.43 2k4x n PHE 20 N 1.67 -0.79 -3.98 -0.53 3.01 -1.26 -2.30 117.46 113.28 2k4x n PHE 20 Ca -0.01 -2.30 -0.35 0.00 1.01 0.00 0.00 57.45 55.81 2k4x n PHE 20 Cb 0.47 -0.46 -0.06 0.00 -0.01 0.00 0.00 39.48 39.42 2k4x n PHE 20 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2k4x h PRO 22 N 4.42 0.13 0.00 0.00 0.13 -1.98 -0.64 132.00 134.07 2k4x h PRO 22 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2k4x h PRO 22 Cb 1.20 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k4x h PRO 22 CO 0.62 0.09 -0.39 0.00 -0.23 0.00 0.00 178.00 178.09 2k4x h ARG 23 N 0.14 0.00 0.00 0.86 2.47 -1.96 -3.37 114.38 112.52 2k4x h ARG 23 Ca 0.07 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 2k4x h ARG 23 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.36 2k4x h ARG 23 CO -0.07 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.46 2k4x n GLY 25 N 0.16 -2.13 3.54 0.00 0.00 -0.25 -1.63 105.19 104.89 2k4x n GLY 25 Ca 0.13 0.55 -0.28 0.00 0.00 0.00 0.00 46.02 46.41 2k4x n GLY 25 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2k4x n PRO 26 N -3.35 0.66 0.00 1.61 -0.02 -1.26 -1.43 135.00 131.21 2k4x n PRO 26 Ca 0.00 -0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.21 2k4x n PRO 26 Cb 0.05 -3.06 0.00 0.00 -0.02 0.00 0.00 33.50 30.47 2k4x n PRO 26 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2k4x n GLY 27 N 6.28 2.73 2.85 -1.23 0.00 -1.25 -5.01 105.19 109.56 2k4x n GLY 27 Ca 0.47 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.18 2k4x n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k4x s VAL 28 N -2.57 1.52 1.06 1.61 1.01 -0.51 -5.12 120.40 117.40 2k4x s VAL 28 Ca 0.00 -1.94 -0.16 0.00 0.00 0.00 0.00 61.98 59.89 2k4x s VAL 28 Cb 0.00 -2.13 0.22 0.00 0.00 0.00 0.00 36.38 34.47 2k4x s VAL 28 CO 0.00 -0.67 1.15 0.72 0.00 0.00 0.00 175.10 176.30 2k4x s PHE 29 N 1.16 1.46 -0.29 5.22 -0.71 -1.26 -3.58 117.98 119.99 2k4x s PHE 29 Ca 0.11 0.64 -0.16 0.00 -1.04 0.00 0.00 56.93 56.48 2k4x s PHE 29 Cb -0.19 -3.52 -0.03 0.00 -1.21 0.00 0.00 43.02 38.08 2k4x s PHE 29 CO -0.15 -3.13 0.42 -1.17 -1.34 0.00 0.00 175.22 169.84 2k4x s LEU 30 N -6.46 4.13 -0.85 -1.99 2.96 -0.97 -4.57 118.68 110.93 2k4x s LEU 30 Ca 0.69 0.23 -0.26 0.00 -0.22 0.00 0.00 54.13 54.56 2k4x s LEU 30 Cb -0.12 -2.48 -0.16 0.00 0.50 0.00 0.00 46.19 43.94 2k4x s LEU 30 CO 0.55 -0.26 2.36 0.00 -1.32 0.00 0.00 176.35 177.68 2k4x n ALA 31 N 5.43 0.30 -2.60 5.97 0.00 0.24 -4.75 120.51 125.11 2k4x n ALA 31 Ca -0.07 -1.56 -0.43 0.00 0.00 0.00 0.00 53.44 51.38 2k4x n ALA 31 Cb 0.50 -3.30 -0.03 0.00 0.00 0.00 0.00 19.45 16.62 2k4x n ALA 31 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2k4x s GLU 32 N 8.87 3.75 0.22 0.00 2.12 -1.26 -0.89 118.70 131.52 2k4x s GLU 32 Ca 0.91 0.54 0.11 0.00 0.36 0.00 0.00 54.97 56.89 2k4x s GLU 32 Cb -0.12 -3.86 -0.05 0.00 0.26 0.00 0.00 34.13 30.37 2k4x s GLU 32 CO 0.10 -1.17 -0.17 -1.01 -0.54 0.00 0.00 175.26 172.46 2k4x s HIS 33 N 3.94 2.41 0.53 5.30 3.76 1.00 -5.02 115.29 127.22 2k4x s HIS 33 Ca 0.43 -0.31 0.24 0.00 -0.15 0.00 0.00 55.06 55.27 2k4x s HIS 33 Cb -0.10 -1.14 1.54 0.00 1.11 0.00 0.00 32.58 34.00 2k4x s HIS 33 CO 0.25 0.58 2.17 0.00 -0.85 0.00 0.00 174.74 176.89 2k4x h ALA 34 N 2.74 1.62 0.17 -1.40 0.00 -2.02 -2.11 119.26 118.25 2k4x h ALA 34 Ca -0.44 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.13 2k4x h ALA 34 Cb 1.23 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.02 2k4x h ALA 34 CO 0.54 0.05 -1.37 -0.44 0.00 0.00 0.00 179.25 178.03 2k4x h ASP 35 N 0.00 0.55 -1.79 0.00 5.19 -1.98 -3.46 116.42 114.94 2k4x h ASP 35 Ca -0.00 -0.61 0.29 0.00 -0.62 0.00 0.00 57.03 56.09 2k4x h ASP 35 Cb 0.09 -0.18 -0.05 0.00 0.18 0.00 0.00 39.33 39.37 2k4x h ASP 35 CO 0.01 1.49 0.75 -2.11 -3.12 0.00 0.00 179.24 176.26 2k4x n ARG 36 N -3.57 0.14 -4.86 3.56 1.85 -0.79 -2.20 116.66 110.78 2k4x n ARG 36 Ca -0.13 -0.62 -0.33 0.00 -1.00 0.00 0.00 57.85 55.77 2k4x n ARG 36 Cb 1.05 1.04 -0.13 0.00 -1.05 0.00 0.00 32.46 33.37 2k4x n ARG 36 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 2k4x s TYR 37 N -2.20 2.73 0.06 2.89 2.02 0.11 -0.00 117.35 122.96 2k4x s TYR 37 Ca 0.25 -0.17 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2k4x s TYR 37 Cb -0.01 -1.65 -0.03 0.00 -0.40 0.00 0.00 41.96 39.87 2k4x s TYR 37 CO -0.01 0.18 -0.05 0.45 -1.57 0.00 0.00 175.55 174.55 2k4x s SER 38 N -0.67 0.77 -0.15 2.29 0.15 -0.07 -0.89 113.70 115.12 2k4x s SER 38 Ca 0.10 -0.82 -0.06 0.00 0.70 0.00 0.00 55.95 55.86 2k4x s SER 38 Cb -0.11 0.11 0.06 0.00 -1.71 0.00 0.00 66.02 64.38 2k4x s SER 38 CO 0.01 -0.42 0.33 0.00 1.20 0.00 0.00 173.24 174.36 2k4x s GLY 40 N 1.94 1.51 0.00 0.00 0.00 -1.26 -0.58 107.32 108.93 2k4x s GLY 40 Ca -0.05 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.76 2k4x s GLY 40 CO -0.11 0.04 0.00 0.54 0.00 0.00 0.00 173.10 173.57 2k4x n ARG 41 N -5.18 0.00 0.00 2.90 5.12 -1.26 -3.81 116.66 114.43 2k4x n ARG 41 Ca 0.13 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.05 2k4x n ARG 41 Cb 0.60 -0.02 0.00 0.00 -1.16 0.00 0.00 32.46 31.88 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2k4x n GLY 43 N 1.15 0.68 3.70 0.00 0.00 0.25 -4.97 105.19 106.00 2k4x n GLY 43 Ca 0.00 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.75 2k4x n GLY 43 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2k4x s TYR 44 N -2.13 2.39 -0.00 1.61 5.04 -1.16 -4.71 117.35 118.38 2k4x s TYR 44 Ca 0.00 0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.78 2k4x s TYR 44 Cb 0.00 -4.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 2k4x s TYR 44 CO 0.00 -4.56 -0.08 0.99 -1.34 0.00 0.00 175.55 170.56 2k4x s THR 45 N 2.29 0.61 -0.26 4.34 2.01 -1.26 -0.58 115.64 122.79 2k4x s THR 45 Ca 0.78 -0.38 -0.01 0.00 0.31 0.00 0.00 61.69 62.39 2k4x s THR 45 Cb -0.46 -0.52 0.14 0.00 0.01 0.00 0.00 72.50 71.67 2k4x s THR 45 CO 0.35 0.14 0.37 -0.70 -0.69 0.00 0.00 174.62 174.09 2k4x s GLU 46 N -0.27 0.36 0.26 4.92 2.12 -0.07 -4.96 118.70 121.06 2k4x s GLU 46 Ca 0.02 0.33 -0.30 0.00 0.36 0.00 0.00 54.97 55.39 2k4x s GLU 46 Cb -0.03 -0.48 -0.10 0.00 0.26 0.00 0.00 34.13 33.78 2k4x s GLU 46 CO -0.00 -0.80 1.34 -0.06 -0.54 0.00 0.00 175.26 175.20 2k4x s PHE 47 N 2.52 3.12 0.36 5.30 0.08 -1.26 0.08 117.98 128.18 2k4x s PHE 47 Ca 0.11 1.25 0.10 0.00 0.12 0.00 0.00 56.93 58.51 2k4x s PHE 47 Cb -0.14 -3.68 0.69 0.00 -0.57 0.00 0.00 43.02 39.32 2k4x s PHE 47 CO -0.22 -2.06 1.84 0.87 -0.10 0.00 0.00 175.22 175.56 2k4x h LYS 48 N 4.50 0.16 -0.85 0.44 1.57 -1.76 -2.53 116.57 118.09 2k4x h LYS 48 Ca -0.47 -0.05 -0.46 0.00 -1.87 0.00 0.00 60.65 57.81 2k4x h LYS 48 Cb 1.22 -0.01 -0.26 0.00 0.08 0.00 0.00 32.23 33.25 2k4x h LYS 48 CO 0.73 0.43 0.49 1.63 -0.57 0.00 0.00 179.45 182.15 2k4x n LYS 49 N -4.17 2.20 -0.50 3.15 5.02 -1.26 -4.36 118.16 118.24 2k4x n LYS 49 Ca -0.01 -3.09 0.08 0.00 -2.02 0.00 0.00 58.31 53.27 2k4x n LYS 49 Cb 0.36 -2.11 0.30 0.00 -0.02 0.00 0.00 35.03 33.56 2k4x n LYS 49 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2k4x n ALA 50 N -1.12 2.96 -1.11 7.82 0.00 -0.95 -4.40 120.51 123.71 2k4x n ALA 50 Ca 0.54 -1.29 0.00 0.00 0.00 0.00 0.00 53.44 52.69 2k4x n ALA 50 Cb 1.46 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2k4x n ALA 50 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2k4x n LYS 51 N 0.93 0.00 -2.84 0.00 4.76 -1.26 -4.97 118.16 114.78 2k4x n LYS 51 Ca 0.21 0.00 -0.11 0.00 -2.87 0.00 0.00 58.31 55.55 2k4x n LYS 51 Cb 0.75 -0.15 0.02 0.00 -1.84 0.00 0.00 35.03 33.80 2k4x n LYS 51 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k4x n LYS 52 N -0.25 0.74 -1.66 1.97 4.76 -1.26 -5.10 118.16 117.35 2k4x n LYS 52 Ca 0.00 -2.04 -0.39 0.00 -2.87 0.00 0.00 58.31 53.01 2k4x n LYS 52 Cb 0.00 -1.43 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 2k4x n LYS 52 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 2k4x s SER 53 N -1.36 4.93 -0.21 4.39 0.01 -1.26 -4.90 113.70 115.30 2k4x s SER 53 Ca 0.32 1.25 -0.29 0.00 1.31 0.00 0.00 55.95 58.55 2k4x s SER 53 Cb 0.20 -2.51 -0.01 0.00 0.21 0.00 0.00 66.02 63.91 2k4x s SER 53 CO -0.21 -2.47 1.27 -0.75 0.41 0.00 0.00 173.24 171.49 2k4x s LYS 54 N 7.37 4.13 0.00 12.44 2.47 -1.26 -5.18 119.74 139.71 2k4x s LYS 54 Ca 0.94 1.51 0.26 0.00 -1.56 0.00 0.00 55.97 57.12 2k4x s LYS 54 Cb -0.22 -3.80 1.57 0.00 -1.46 0.00 0.00 37.83 33.93 2k4x s LYS 54 CO 0.29 -0.84 1.93 -1.13 0.16 0.00 0.00 175.35 175.75