#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 -0.06 3.17 0.74 -1.26 -5.17 119.66 117.67 2k4x s GLN 2 Ca 0.00 1.10 -0.26 0.00 0.05 0.00 0.00 55.36 56.25 2k4x s GLN 2 Cb 0.00 0.15 0.06 0.00 1.10 0.00 0.00 33.01 34.32 2k4x s GLN 2 CO 0.00 -0.16 0.59 0.21 -0.55 0.00 0.00 175.29 175.38 2k4x s LYS 3 N 1.70 0.94 -1.20 1.67 2.20 -1.26 -5.07 119.74 118.72 2k4x s LYS 3 Ca -0.09 0.20 -0.22 0.00 -0.36 0.00 0.00 55.97 55.50 2k4x s LYS 3 Cb -0.07 0.44 -0.08 0.00 -1.51 0.00 0.00 37.83 36.61 2k4x s LYS 3 CO -0.17 -0.28 1.92 0.54 -0.36 0.00 0.00 175.35 177.00 2k4x n ARG 4 N 1.14 1.72 -0.04 4.03 3.00 -1.26 -4.65 116.66 120.60 2k4x n ARG 4 Ca -0.19 -2.53 0.09 0.00 -0.01 0.00 0.00 57.85 55.21 2k4x n ARG 4 Cb 0.57 -3.71 0.42 0.00 0.00 0.00 0.00 32.46 29.74 2k4x n ARG 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k4x n GLU 5 N 8.26 1.35 0.08 5.56 -0.58 -1.26 -3.70 120.64 130.35 2k4x n GLU 5 Ca 0.45 -0.52 0.13 0.00 -0.42 0.00 0.00 57.16 56.80 2k4x n GLU 5 Cb 0.46 -1.31 0.44 0.00 -0.57 0.00 0.00 31.44 30.46 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2k4x n LEU 6 N -0.24 0.62 0.00 -4.62 4.77 -1.26 -5.03 117.00 111.24 2k4x n LEU 6 Ca 0.14 0.54 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 2k4x n LEU 6 Cb 0.18 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 2k4x n LEU 6 CO 0.11 -0.13 0.00 -1.22 -1.33 0.00 0.00 177.39 174.82 2k4x n TYR 7 N -2.07 -1.74 -4.08 -1.77 4.01 -1.24 -4.84 117.16 105.42 2k4x n TYR 7 Ca 0.06 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.48 2k4x n TYR 7 Cb 0.41 0.24 -0.07 0.00 -0.31 0.00 0.00 39.34 39.61 2k4x n TYR 7 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2k4x s GLU 8 N 0.00 2.99 0.86 -0.72 2.02 -1.26 -5.12 118.70 117.48 2k4x s GLU 8 Ca 0.00 -0.57 -0.13 0.00 0.02 0.00 0.00 54.97 54.28 2k4x s GLU 8 Cb 0.00 -2.80 0.12 0.00 0.10 0.00 0.00 34.13 31.55 2k4x s GLU 8 CO 0.00 0.61 1.22 0.96 0.02 0.00 0.00 175.26 178.07 2k4x s ILE 9 N -1.29 2.00 0.05 -1.63 -4.36 -1.26 -5.10 121.20 109.60 2k4x s ILE 9 Ca 0.26 0.00 0.01 0.00 -0.26 0.00 0.00 60.65 60.66 2k4x s ILE 9 Cb -0.12 -2.99 0.01 0.00 1.25 0.00 0.00 42.46 40.61 2k4x s ILE 9 CO 0.18 0.00 0.05 0.00 0.24 0.00 0.00 174.94 175.41 2k4x n ALA 10 N -3.49 0.09 -2.79 2.27 0.00 -1.26 -5.12 120.51 110.21 2k4x n ALA 10 Ca 0.10 -0.18 -0.33 0.00 0.00 0.00 0.00 53.44 53.03 2k4x n ALA 10 Cb 0.60 0.06 -0.05 0.00 0.00 0.00 0.00 19.45 20.07 2k4x n ALA 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2k4x s ASP 11 N -1.29 6.45 0.51 0.00 1.01 -1.26 -5.12 116.67 116.98 2k4x s ASP 11 Ca 0.04 0.48 0.00 0.00 0.71 0.00 0.00 52.55 53.79 2k4x s ASP 11 Cb -0.00 -2.05 0.06 0.00 1.01 0.00 0.00 42.92 41.94 2k4x s ASP 11 CO 0.03 0.19 0.45 0.61 0.21 0.00 0.00 175.17 176.65 2k4x n GLY 12 N 0.67 0.85 0.03 0.21 0.00 -1.26 -5.05 105.19 100.64 2k4x n GLY 12 Ca -0.08 -2.01 -0.02 0.00 0.00 0.00 0.00 46.02 43.91 2k4x n GLY 12 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k4x n LYS 13 N -1.82 2.18 -2.28 1.61 4.81 -1.26 -4.88 118.16 116.52 2k4x n LYS 13 Ca 0.08 -0.02 -0.35 0.00 -0.87 0.00 0.00 58.31 57.15 2k4x n LYS 13 Cb 0.27 -1.21 -0.00 0.00 0.02 0.00 0.00 35.03 34.11 2k4x n LYS 13 CO 0.00 0.00 0.00 -0.48 1.17 0.00 0.00 177.40 178.09 2k4x s LEU 14 N -4.38 3.74 -1.02 3.14 0.05 -1.26 -3.90 118.68 115.04 2k4x s LEU 14 Ca -0.04 2.10 -0.05 0.00 0.05 0.00 0.00 54.13 56.19 2k4x s LEU 14 Cb 0.03 -4.57 0.27 0.00 -2.05 0.00 0.00 46.19 39.87 2k4x s LEU 14 CO 0.33 -1.15 1.11 1.33 -0.55 0.00 0.00 176.35 177.43 2k4x n VAL 15 N -1.33 4.27 -4.27 1.48 0.24 -1.26 -4.82 118.33 112.63 2k4x n VAL 15 Ca 0.11 -5.46 0.00 0.00 -2.04 0.00 0.00 64.34 56.95 2k4x n VAL 15 Cb 0.51 -2.37 0.00 0.00 -1.47 0.00 0.00 33.84 30.52 2k4x n VAL 15 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2k4x n ARG 16 N 2.09 0.00 -0.18 7.34 1.74 -1.26 -3.58 116.66 122.81 2k4x n ARG 16 Ca 0.24 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.31 2k4x n ARG 16 Cb 0.37 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 31.86 2k4x n ARG 16 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k4x n LYS 17 N 0.00 1.45 -0.64 5.56 3.00 -1.26 -4.98 118.16 121.29 2k4x n LYS 17 Ca 0.00 -0.53 0.09 0.00 -0.00 0.00 0.00 58.31 57.87 2k4x n LYS 17 Cb 0.00 -1.42 -0.02 0.00 0.00 0.00 0.00 35.03 33.59 2k4x n LYS 17 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2k4x n HIS 18 N 0.16 -2.63 -4.28 5.64 8.25 -1.23 -4.95 115.22 116.18 2k4x n HIS 18 Ca 0.08 0.79 -0.21 0.00 -0.26 0.00 0.00 57.72 58.11 2k4x n HIS 18 Cb 0.56 -1.37 -0.12 0.00 1.12 0.00 0.00 29.99 30.18 2k4x n HIS 18 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k4x s ARG 19 N -1.10 1.13 0.51 -0.41 0.52 -1.26 -5.16 118.95 113.18 2k4x s ARG 19 Ca 0.00 -1.25 0.00 0.00 -0.52 0.00 0.00 55.73 53.97 2k4x s ARG 19 Cb 0.00 -1.21 0.00 0.00 0.52 0.00 0.00 34.95 34.26 2k4x s ARG 19 CO 0.00 0.26 0.03 1.19 0.02 0.00 0.00 175.30 176.80 2k4x n PHE 20 N 0.70 1.04 -2.66 -0.53 3.72 -1.26 -4.30 117.46 114.16 2k4x n PHE 20 Ca -0.16 -2.50 -0.40 0.00 -0.05 0.00 0.00 57.45 54.33 2k4x n PHE 20 Cb 0.56 -0.35 -0.05 0.00 -0.94 0.00 0.00 39.48 38.69 2k4x n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k4x n PRO 22 N 1.22 0.00 0.06 0.00 -0.02 -1.26 -0.22 135.00 134.78 2k4x n PRO 22 Ca -0.01 0.64 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 2k4x n PRO 22 Cb 0.47 -1.43 -0.09 0.00 -0.02 0.00 0.00 33.50 32.43 2k4x n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2k4x h ARG 23 N 0.00 0.58 -0.00 -0.52 3.08 -1.97 -3.00 114.38 112.54 2k4x h ARG 23 Ca 0.00 -0.67 0.00 0.00 0.07 0.00 0.00 59.98 59.38 2k4x h ARG 23 Cb 0.00 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.25 2k4x h ARG 23 CO 0.00 1.27 -0.02 0.00 -1.07 0.00 0.00 179.97 180.15 2k4x h GLY 25 N 4.99 -0.62 -7.30 0.00 0.00 -0.45 0.90 103.07 100.59 2k4x h GLY 25 Ca 0.00 0.69 -0.01 0.00 0.00 0.00 0.00 47.33 48.01 2k4x h GLY 25 CO 0.00 -0.07 0.02 -4.14 0.00 0.00 0.00 176.54 172.35 2k4x s PRO 26 N -5.68 1.53 0.00 4.80 0.02 -1.26 -2.52 135.00 131.89 2k4x s PRO 26 Ca -0.13 0.34 0.00 0.00 0.02 0.00 0.00 61.00 61.23 2k4x s PRO 26 Cb 0.13 -4.82 0.00 0.00 0.02 0.00 0.00 34.50 29.83 2k4x s PRO 26 CO 0.65 -4.62 0.00 0.41 -0.33 0.00 0.00 177.00 173.10 2k4x n GLY 27 N 6.72 1.72 2.94 0.52 0.00 -1.23 -5.06 105.19 110.80 2k4x n GLY 27 Ca 0.46 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.82 1.18 0.49 1.61 1.01 0.31 -5.14 120.40 118.04 2k4x s VAL 28 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 61.98 61.51 2k4x s VAL 28 Cb 0.00 -1.16 0.12 0.00 0.00 0.00 0.00 36.38 35.33 2k4x s VAL 28 CO 0.00 0.39 0.57 2.22 0.00 0.00 0.00 175.10 178.28 2k4x n PHE 29 N 4.89 -3.78 -4.09 5.22 -1.74 -1.26 -3.65 117.46 113.05 2k4x n PHE 29 Ca -0.14 -0.51 -0.33 0.00 -0.56 0.00 0.00 57.45 55.91 2k4x n PHE 29 Cb 0.50 -0.49 -0.16 0.00 1.52 0.00 0.00 39.48 40.85 2k4x n PHE 29 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 2k4x s LEU 30 N 0.00 2.23 -0.85 5.98 2.96 -1.26 -4.27 118.68 123.47 2k4x s LEU 30 Ca 0.34 -0.62 -0.25 0.00 -0.22 0.00 0.00 54.13 53.38 2k4x s LEU 30 Cb -0.02 -1.51 -0.08 0.00 0.50 0.00 0.00 46.19 45.08 2k4x s LEU 30 CO 0.25 -0.00 2.12 0.00 -1.32 0.00 0.00 176.35 177.40 2k4x s ALA 31 N 1.32 1.30 -0.65 5.97 0.00 0.39 -4.86 121.76 125.22 2k4x s ALA 31 Ca 0.05 -1.22 -0.27 0.00 0.00 0.00 0.00 51.96 50.52 2k4x s ALA 31 Cb -0.13 -4.56 0.02 0.00 0.00 0.00 0.00 23.12 18.45 2k4x s ALA 31 CO -0.12 -5.22 1.37 -2.00 0.00 0.00 0.00 175.76 169.79 2k4x s GLU 32 N 7.73 3.20 0.14 0.00 2.12 -1.26 -1.25 118.70 129.38 2k4x s GLU 32 Ca 0.79 0.12 0.05 0.00 0.36 0.00 0.00 54.97 56.28 2k4x s GLU 32 Cb -0.09 -4.16 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 2k4x s GLU 32 CO 0.03 -2.09 0.10 -1.01 -0.54 0.00 0.00 175.26 171.75 2k4x s HIS 33 N 6.10 3.11 0.61 5.30 3.76 0.36 -5.00 115.29 129.53 2k4x s HIS 33 Ca 0.44 -0.01 0.33 0.00 -0.15 0.00 0.00 55.06 55.68 2k4x s HIS 33 Cb -0.09 -1.52 1.95 0.00 1.11 0.00 0.00 32.58 34.03 2k4x s HIS 33 CO 0.20 0.52 2.26 0.00 -0.85 0.00 0.00 174.74 176.87 2k4x h ALA 34 N 2.69 1.43 0.21 -1.40 0.00 -2.03 -1.25 119.26 118.91 2k4x h ALA 34 Ca -0.47 -0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 2k4x h ALA 34 Cb 1.19 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.00 2k4x h ALA 34 CO 0.63 -0.03 -1.50 0.22 0.00 0.00 0.00 179.25 178.56 2k4x h ASP 35 N 0.00 0.68 -5.96 0.00 3.58 -1.98 -3.45 116.42 109.29 2k4x h ASP 35 Ca 0.01 -0.92 0.39 0.00 0.42 0.00 0.00 57.03 56.92 2k4x h ASP 35 Cb 0.06 -0.22 -0.12 0.00 1.72 0.00 0.00 39.33 40.77 2k4x h ASP 35 CO -0.00 1.70 0.98 0.00 -2.88 0.00 0.00 179.24 179.04 2k4x s ARG 36 N -2.56 0.08 -0.10 0.28 1.70 -0.47 -1.94 118.95 115.95 2k4x s ARG 36 Ca -0.13 -0.05 -0.10 0.00 -0.47 0.00 0.00 55.73 54.98 2k4x s ARG 36 Cb 0.04 0.03 -0.05 0.00 -0.57 0.00 0.00 34.95 34.40 2k4x s ARG 36 CO 0.88 -0.04 0.21 0.71 -1.08 0.00 0.00 175.30 175.99 2k4x s TYR 37 N -2.06 3.61 0.06 5.89 1.51 0.79 -0.49 117.35 126.66 2k4x s TYR 37 Ca 0.20 0.63 0.02 0.00 -1.01 0.00 0.00 57.07 56.92 2k4x s TYR 37 Cb 0.05 -2.07 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 2k4x s TYR 37 CO -0.05 0.65 -0.08 -1.54 -1.11 0.00 0.00 175.55 173.42 2k4x s SER 38 N -0.83 0.99 -0.41 2.29 1.04 -0.38 -0.97 113.70 115.42 2k4x s SER 38 Ca 0.17 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 55.98 2k4x s SER 38 Cb -0.13 0.04 0.14 0.00 0.10 0.00 0.00 66.02 66.17 2k4x s SER 38 CO 0.06 -0.23 0.25 0.00 0.98 0.00 0.00 173.24 174.29 2k4x n GLY 40 N 3.60 1.26 0.00 0.00 0.00 -1.26 -1.64 105.19 107.15 2k4x n GLY 40 Ca 0.13 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.22 2k4x n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k4x n ARG 41 N 7.66 0.00 0.00 1.61 3.00 -1.26 -4.95 116.66 122.72 2k4x n ARG 41 Ca 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.32 2k4x n ARG 41 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.88 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k4x n GLY 43 N 0.03 0.31 3.54 0.00 0.00 -0.65 -5.00 105.19 103.42 2k4x n GLY 43 Ca 0.00 -0.81 -0.43 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.12 2.93 -0.04 1.61 5.04 -1.24 -4.90 117.35 118.63 2k4x s TYR 44 Ca 0.00 0.19 0.03 0.00 -2.44 0.00 0.00 57.07 54.84 2k4x s TYR 44 Cb 0.00 -3.85 0.00 0.00 0.35 0.00 0.00 41.96 38.46 2k4x s TYR 44 CO 0.00 -1.10 -0.11 0.99 -1.34 0.00 0.00 175.55 173.99 2k4x s THR 45 N 3.57 0.93 -0.05 4.34 2.01 -1.26 -0.75 115.64 124.44 2k4x s THR 45 Ca 0.32 -0.43 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 2k4x s THR 45 Cb -0.12 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.59 2k4x s THR 45 CO 0.23 0.29 0.11 -0.70 -0.69 0.00 0.00 174.62 173.86 2k4x s GLU 46 N 0.27 0.08 0.55 4.92 2.56 -0.15 -4.99 118.70 121.95 2k4x s GLU 46 Ca -0.05 0.26 -0.18 0.00 0.00 0.00 0.00 54.97 55.00 2k4x s GLU 46 Cb -0.10 -0.11 -0.05 0.00 2.00 0.00 0.00 34.13 35.86 2k4x s GLU 46 CO 0.01 -0.11 1.07 -0.06 -0.56 0.00 0.00 175.26 175.61 2k4x s PHE 47 N 0.78 2.87 -0.01 5.30 0.08 -1.26 -0.15 117.98 125.59 2k4x s PHE 47 Ca -0.06 1.55 -0.30 0.00 0.12 0.00 0.00 56.93 58.24 2k4x s PHE 47 Cb -0.08 -3.12 -0.06 0.00 -0.57 0.00 0.00 43.02 39.20 2k4x s PHE 47 CO -0.03 -1.20 1.50 0.15 -0.10 0.00 0.00 175.22 175.54 2k4x s LYS 48 N -3.59 4.24 0.00 0.44 -0.14 -0.82 -4.81 119.74 115.06 2k4x s LYS 48 Ca 0.67 2.07 0.00 0.00 -1.36 0.00 0.00 55.97 57.36 2k4x s LYS 48 Cb -0.19 -3.69 0.00 0.00 -1.68 0.00 0.00 37.83 32.28 2k4x s LYS 48 CO 0.29 -0.68 0.00 1.63 -0.76 0.00 0.00 175.35 175.83 2k4x n LYS 49 N 5.91 0.66 0.00 1.68 4.01 -1.26 -4.95 118.16 124.21 2k4x n LYS 49 Ca 0.15 0.00 0.02 0.00 -0.51 0.00 0.00 58.31 57.96 2k4x n LYS 49 Cb 0.43 0.00 0.09 0.00 -0.51 0.00 0.00 35.03 35.04 2k4x n LYS 49 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2k4x n ALA 50 N -3.00 2.27 -1.54 7.82 0.00 -1.26 -4.80 120.51 120.00 2k4x n ALA 50 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 53.44 53.06 2k4x n ALA 50 Cb 0.00 -1.05 -0.07 0.00 0.00 0.00 0.00 19.45 18.33 2k4x n ALA 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2k4x n LYS 51 N -0.57 0.70 -3.61 0.00 4.81 -1.26 -4.84 118.16 113.40 2k4x n LYS 51 Ca 0.02 -0.06 -0.08 0.00 -0.87 0.00 0.00 58.31 57.32 2k4x n LYS 51 Cb 0.01 -2.87 -0.06 0.00 0.02 0.00 0.00 35.03 32.14 2k4x n LYS 51 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2k4x s LYS 52 N 8.50 0.45 -0.05 1.64 2.47 -1.26 -5.12 119.74 126.36 2k4x s LYS 52 Ca 1.09 0.23 -0.03 0.00 -1.56 0.00 0.00 55.97 55.69 2k4x s LYS 52 Cb -0.49 0.21 0.01 0.00 -1.46 0.00 0.00 37.83 36.11 2k4x s LYS 52 CO 0.32 -0.12 0.07 0.45 0.16 0.00 0.00 175.35 176.23 2k4x n SER 53 N 1.12 -1.59 -1.22 1.43 2.88 -1.26 -5.00 113.62 109.98 2k4x n SER 53 Ca -0.09 0.38 0.15 0.00 -1.33 0.00 0.00 58.87 57.98 2k4x n SER 53 Cb 0.57 -2.19 -0.08 0.00 -0.75 0.00 0.00 64.21 61.77 2k4x n SER 53 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2k4x n LYS 54 N 0.48 -2.78 0.00 -1.46 4.81 -1.25 -5.11 118.16 112.84 2k4x n LYS 54 Ca -0.12 2.23 0.00 0.00 -0.87 0.00 0.00 58.31 59.55 2k4x n LYS 54 Cb 0.18 -3.27 0.00 0.00 0.02 0.00 0.00 35.03 31.96 2k4x n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02