#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 2.17 -0.00 0.03 -0.21 -1.26 -4.98 119.66 115.41 2k4x s GLN 2 Ca 0.00 -0.54 0.00 0.00 0.02 0.00 0.00 55.36 54.84 2k4x s GLN 2 Cb 0.00 -1.87 0.00 0.00 1.00 0.00 0.00 33.01 32.14 2k4x s GLN 2 CO 0.00 -0.08 0.59 1.63 -2.12 0.00 0.00 175.29 175.31 2k4x n LYS 3 N 4.26 0.02 -3.26 2.91 5.02 -1.26 -5.09 118.16 120.75 2k4x n LYS 3 Ca -0.19 -0.59 -0.36 0.00 -2.02 0.00 0.00 58.31 55.15 2k4x n LYS 3 Cb 0.51 -0.50 -0.06 0.00 -0.02 0.00 0.00 35.03 34.96 2k4x n LYS 3 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2k4x s ARG 4 N -0.01 4.09 -1.13 1.97 3.00 -1.26 -4.19 118.95 121.42 2k4x s ARG 4 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 55.73 56.37 2k4x s ARG 4 Cb 0.00 -2.93 0.00 0.00 0.00 0.00 0.00 34.95 32.02 2k4x s ARG 4 CO 0.00 0.46 0.00 0.39 0.00 0.00 0.00 175.30 176.15 2k4x n GLU 5 N 0.82 -0.91 -2.33 3.54 1.02 -1.26 -4.93 120.64 116.59 2k4x n GLU 5 Ca -0.05 0.72 -0.41 0.00 -0.02 0.00 0.00 57.16 57.40 2k4x n GLU 5 Cb 0.51 -4.82 -0.01 0.00 -0.02 0.00 0.00 31.44 27.10 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2k4x n LEU 6 N -1.58 5.11 -4.10 -4.62 4.77 -1.26 -4.87 117.00 110.45 2k4x n LEU 6 Ca -0.13 -3.87 -0.11 0.00 -0.03 0.00 0.00 56.01 51.87 2k4x n LEU 6 Cb 0.52 -1.72 -0.07 0.00 -2.33 0.00 0.00 43.42 39.82 2k4x n LEU 6 CO 0.17 0.13 -0.01 -0.72 -1.33 0.00 0.00 177.39 175.64 2k4x s TYR 7 N 4.69 0.80 0.11 -1.77 -0.85 -1.26 -5.14 117.35 113.94 2k4x s TYR 7 Ca 0.54 -1.08 -0.31 0.00 -0.52 0.00 0.00 57.07 55.71 2k4x s TYR 7 Cb 0.06 -0.18 -0.07 0.00 0.38 0.00 0.00 41.96 42.15 2k4x s TYR 7 CO 0.05 -0.86 1.25 -1.83 -1.52 0.00 0.00 175.55 172.64 2k4x s GLU 8 N -3.97 4.42 0.37 -3.49 -1.05 -1.26 -4.99 118.70 108.73 2k4x s GLU 8 Ca 0.31 1.88 -0.28 0.00 -0.15 0.00 0.00 54.97 56.73 2k4x s GLU 8 Cb 0.03 -3.29 -0.11 0.00 -0.44 0.00 0.00 34.13 30.32 2k4x s GLU 8 CO 0.12 -0.25 1.42 0.42 0.95 0.00 0.00 175.26 177.92 2k4x s ILE 9 N 0.72 2.28 -0.42 1.83 1.01 -1.26 -4.85 121.20 120.51 2k4x s ILE 9 Ca 0.58 0.28 -0.31 0.00 0.00 0.00 0.00 60.65 61.21 2k4x s ILE 9 Cb -0.32 -3.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.87 2k4x s ILE 9 CO 0.32 0.07 2.30 0.00 0.00 0.00 0.00 174.94 177.63 2k4x n ALA 10 N 0.53 1.10 -3.60 9.38 0.00 -1.26 -4.93 120.51 121.73 2k4x n ALA 10 Ca 0.01 -0.34 -0.24 0.00 0.00 0.00 0.00 53.44 52.87 2k4x n ALA 10 Cb 0.40 -2.77 -0.17 0.00 0.00 0.00 0.00 19.45 16.92 2k4x n ALA 10 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k4x s ASP 11 N 8.91 1.74 -0.84 0.00 2.15 -1.26 -5.08 116.67 122.28 2k4x s ASP 11 Ca 1.07 -0.27 -0.25 0.00 0.43 0.00 0.00 52.55 53.53 2k4x s ASP 11 Cb -0.61 -0.76 -0.00 0.00 -0.30 0.00 0.00 42.92 41.24 2k4x s ASP 11 CO 0.40 -0.02 1.67 -0.83 -0.17 0.00 0.00 175.17 176.22 2k4x s GLY 12 N 0.98 0.61 0.06 2.66 0.00 -1.26 -4.96 107.32 105.41 2k4x s GLY 12 Ca -0.09 -1.50 0.06 0.00 0.00 0.00 0.00 44.72 43.19 2k4x s GLY 12 CO 0.00 3.10 -0.12 1.25 0.00 0.00 0.00 173.10 177.33 2k4x s LYS 13 N 6.22 2.20 -0.20 2.90 2.47 -1.26 -5.09 119.74 126.97 2k4x s LYS 13 Ca 0.56 -0.95 -0.29 0.00 -1.56 0.00 0.00 55.97 53.73 2k4x s LYS 13 Cb -0.06 -2.31 0.00 0.00 -1.46 0.00 0.00 37.83 34.00 2k4x s LYS 13 CO 0.04 0.54 1.13 -1.17 0.16 0.00 0.00 175.35 176.05 2k4x s LEU 14 N -1.78 4.13 0.52 5.43 0.20 -1.26 -5.00 118.68 120.92 2k4x s LEU 14 Ca 0.18 1.50 -0.23 0.00 0.69 0.00 0.00 54.13 56.28 2k4x s LEU 14 Cb -0.11 -3.54 -0.06 0.00 -0.43 0.00 0.00 46.19 42.05 2k4x s LEU 14 CO 0.09 -0.71 1.39 0.68 -0.29 0.00 0.00 176.35 177.52 2k4x s VAL 15 N 3.33 2.01 0.22 1.68 -7.23 -1.26 -5.03 120.40 114.12 2k4x s VAL 15 Ca 0.48 0.01 0.06 0.00 -1.81 0.00 0.00 61.98 60.72 2k4x s VAL 15 Cb -0.18 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2k4x s VAL 15 CO 0.10 0.00 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.66 2k4x s ARG 16 N -2.78 1.35 -0.85 4.82 0.52 -1.26 -5.06 118.95 115.69 2k4x s ARG 16 Ca 0.69 -1.63 -0.25 0.00 -0.52 0.00 0.00 55.73 54.02 2k4x s ARG 16 Cb -0.42 -0.99 -0.02 0.00 0.52 0.00 0.00 34.95 34.03 2k4x s ARG 16 CO 0.51 0.10 1.81 0.15 0.02 0.00 0.00 175.30 177.89 2k4x s LYS 17 N -3.71 2.77 -1.19 3.54 -0.14 -1.26 -4.88 119.74 114.86 2k4x s LYS 17 Ca 0.24 -0.22 -0.20 0.00 -1.36 0.00 0.00 55.97 54.43 2k4x s LYS 17 Cb 0.02 -4.91 0.05 0.00 -1.68 0.00 0.00 37.83 31.31 2k4x s LYS 17 CO 0.07 -2.99 1.67 -1.01 -0.76 0.00 0.00 175.35 172.33 2k4x s HIS 18 N 8.83 2.62 0.84 3.18 3.76 -1.26 -4.95 115.29 128.31 2k4x s HIS 18 Ca 0.64 -1.17 -0.12 0.00 -0.15 0.00 0.00 55.06 54.26 2k4x s HIS 18 Cb -0.07 -4.67 0.10 0.00 1.11 0.00 0.00 32.58 29.05 2k4x s HIS 18 CO 0.03 -1.81 1.10 1.03 -0.85 0.00 0.00 174.74 174.25 2k4x s ARG 19 N 4.70 1.72 0.64 1.40 0.52 -1.26 -4.98 118.95 121.69 2k4x s ARG 19 Ca 0.53 0.63 0.05 0.00 -0.52 0.00 0.00 55.73 56.42 2k4x s ARG 19 Cb 0.02 -1.88 0.11 0.00 0.52 0.00 0.00 34.95 33.72 2k4x s ARG 19 CO 0.02 -1.87 0.89 -0.06 0.02 0.00 0.00 175.30 174.30 2k4x s PHE 20 N -3.12 1.46 0.06 -0.53 0.08 -1.26 -3.96 117.98 110.71 2k4x s PHE 20 Ca 0.62 -0.53 -0.28 0.00 0.12 0.00 0.00 56.93 56.86 2k4x s PHE 20 Cb -0.15 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.68 2k4x s PHE 20 CO 0.55 -1.42 0.87 0.00 -0.10 0.00 0.00 175.22 175.11 2k4x h PRO 22 N 5.87 -0.20 0.09 0.00 0.11 -1.97 0.88 132.00 136.78 2k4x h PRO 22 Ca -0.43 0.01 -0.32 0.00 0.11 0.00 0.00 66.00 65.38 2k4x h PRO 22 Cb 1.21 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 2k4x h PRO 22 CO 0.72 -0.14 -1.71 0.00 -0.21 0.00 0.00 178.00 176.66 2k4x h ARG 23 N -0.21 0.19 -0.00 1.05 3.08 -1.97 -3.31 114.38 113.20 2k4x h ARG 23 Ca 0.10 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 59.83 2k4x h ARG 23 Cb 0.48 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.65 2k4x h ARG 23 CO -0.69 0.99 -0.02 0.00 -1.07 0.00 0.00 179.97 179.18 2k4x h GLY 25 N 4.96 -0.31 -7.14 0.00 0.00 0.72 0.17 103.07 101.47 2k4x h GLY 25 Ca 0.00 0.59 -0.41 0.00 0.00 0.00 0.00 47.33 47.51 2k4x h GLY 25 CO 0.00 -0.14 1.36 -1.55 0.00 0.00 0.00 176.54 176.21 2k4x n PRO 26 N -5.40 1.39 0.00 4.80 -0.04 -1.26 -3.11 135.00 131.38 2k4x n PRO 26 Ca 0.05 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.34 2k4x n PRO 26 Cb 0.35 -3.46 0.00 0.00 -0.04 0.00 0.00 33.50 30.35 2k4x n PRO 26 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k4x n GLY 27 N 5.42 1.25 2.88 0.55 0.00 -1.19 -5.09 105.19 109.01 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 -0.63 1.06 0.00 1.61 1.01 0.60 -5.14 120.40 118.92 2k4x s VAL 28 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.35 2k4x s VAL 28 Cb 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.11 2k4x s VAL 28 CO 0.00 0.10 0.00 2.22 0.00 0.00 0.00 175.10 177.42 2k4x n PHE 29 N 4.89 -2.43 -3.76 5.22 -1.74 -1.26 -3.62 117.46 114.76 2k4x n PHE 29 Ca -0.12 0.00 -0.29 0.00 -0.56 0.00 0.00 57.45 56.49 2k4x n PHE 29 Cb 0.48 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.32 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 1.78 -0.10 5.98 2.96 -1.25 -4.10 118.68 123.95 2k4x s LEU 30 Ca 0.00 -1.21 -0.29 0.00 -0.22 0.00 0.00 54.13 52.41 2k4x s LEU 30 Cb 0.00 -0.78 -0.06 0.00 0.50 0.00 0.00 46.19 45.85 2k4x s LEU 30 CO 0.00 -0.34 2.01 0.00 -1.32 0.00 0.00 176.35 176.69 2k4x s ALA 31 N 1.70 3.22 -0.16 5.97 0.00 -0.03 -4.79 121.76 127.67 2k4x s ALA 31 Ca 0.03 0.99 -0.22 0.00 0.00 0.00 0.00 51.96 52.77 2k4x s ALA 31 Cb -0.17 -3.93 -0.03 0.00 0.00 0.00 0.00 23.12 18.99 2k4x s ALA 31 CO -0.15 -2.08 0.66 -2.00 0.00 0.00 0.00 175.76 172.19 2k4x s GLU 32 N 5.19 4.28 0.13 0.00 2.12 -1.26 -1.03 118.70 128.12 2k4x s GLU 32 Ca 0.90 0.71 0.09 0.00 0.36 0.00 0.00 54.97 57.03 2k4x s GLU 32 Cb -0.36 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.45 2k4x s GLU 32 CO 0.37 -0.16 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.72 2k4x s HIS 33 N 1.61 1.88 0.63 5.30 3.76 0.63 -5.02 115.29 124.09 2k4x s HIS 33 Ca 0.32 -0.43 0.36 0.00 -0.15 0.00 0.00 55.06 55.16 2k4x s HIS 33 Cb -0.16 -0.99 2.06 0.00 1.11 0.00 0.00 32.58 34.59 2k4x s HIS 33 CO 0.12 0.27 2.26 0.00 -0.85 0.00 0.00 174.74 176.54 2k4x h ALA 34 N 3.77 1.33 0.16 -1.40 0.00 -2.03 -1.55 119.26 119.54 2k4x h ALA 34 Ca -0.45 -0.00 -0.24 0.00 0.00 0.00 0.00 54.91 54.21 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 0.43 -0.07 -1.13 -0.44 0.00 0.00 0.00 179.25 178.05 2k4x h ASP 35 N 0.00 0.54 -2.31 0.00 5.19 -1.98 -3.43 116.42 114.42 2k4x h ASP 35 Ca 0.01 -0.92 0.27 0.00 -0.62 0.00 0.00 57.03 55.77 2k4x h ASP 35 Cb 0.12 -0.17 -0.05 0.00 0.18 0.00 0.00 39.33 39.41 2k4x h ASP 35 CO -0.00 1.53 0.78 -2.11 -3.12 0.00 0.00 179.24 176.32 2k4x n ARG 36 N -3.97 0.37 -4.08 3.56 1.85 -0.58 -1.23 116.66 112.57 2k4x n ARG 36 Ca -0.17 -1.06 -0.32 0.00 -1.00 0.00 0.00 57.85 55.30 2k4x n ARG 36 Cb 0.91 1.57 -0.07 0.00 -1.05 0.00 0.00 32.46 33.83 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 -2.05 3.26 -0.00 2.89 2.02 0.96 -0.26 117.35 124.16 2k4x s TYR 37 Ca 0.27 0.16 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 2k4x s TYR 37 Cb -0.02 -1.70 -0.01 0.00 -0.40 0.00 0.00 41.96 39.84 2k4x s TYR 37 CO 0.02 0.54 -0.07 0.45 -1.57 0.00 0.00 175.55 174.91 2k4x s SER 38 N -1.99 0.86 -0.03 2.29 0.15 -0.20 -2.37 113.70 112.41 2k4x s SER 38 Ca 0.26 -0.15 -0.01 0.00 0.70 0.00 0.00 55.95 56.75 2k4x s SER 38 Cb -0.12 -0.09 0.03 0.00 -1.71 0.00 0.00 66.02 64.13 2k4x s SER 38 CO 0.17 0.08 0.03 0.00 1.20 0.00 0.00 173.24 174.72 2k4x s GLY 40 N 1.51 1.59 0.00 0.00 0.00 -1.26 -1.21 107.32 107.95 2k4x s GLY 40 Ca -0.03 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 43.78 2k4x s GLY 40 CO -0.03 -0.05 0.00 -2.13 0.00 0.00 0.00 173.10 170.89 2k4x n ARG 41 N -4.63 0.00 0.00 2.90 0.63 -1.26 -3.79 116.66 110.51 2k4x n ARG 41 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 2k4x n ARG 41 Cb 0.59 -0.06 0.00 0.00 0.45 0.00 0.00 32.46 33.45 2k4x n ARG 41 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2k4x n GLY 43 N 0.37 0.83 3.57 0.00 0.00 -0.35 -4.90 105.19 104.71 2k4x n GLY 43 Ca 0.00 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 2k4x n GLY 43 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2k4x n TYR 44 N -3.06 1.65 -3.92 1.61 9.36 -1.17 -4.76 117.16 116.87 2k4x n TYR 44 Ca -0.11 0.02 -0.30 0.00 3.32 0.00 0.00 57.90 60.83 2k4x n TYR 44 Cb 0.40 -2.67 -0.16 0.00 -0.63 0.00 0.00 39.34 36.29 2k4x n TYR 44 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 2k4x s THR 45 N 10.25 1.51 -0.05 2.97 2.01 -1.26 -1.05 115.64 130.01 2k4x s THR 45 Ca 1.01 -1.31 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2k4x s THR 45 Cb -0.30 -1.83 0.02 0.00 0.01 0.00 0.00 72.50 70.40 2k4x s THR 45 CO 0.32 -0.19 -0.04 -0.70 -0.69 0.00 0.00 174.62 173.31 2k4x s GLU 46 N 1.39 0.87 0.82 4.92 2.12 -1.00 -4.97 118.70 122.84 2k4x s GLU 46 Ca -0.03 -0.09 -0.13 0.00 0.36 0.00 0.00 54.97 55.09 2k4x s GLU 46 Cb -0.19 -0.93 0.09 0.00 0.26 0.00 0.00 34.13 33.36 2k4x s GLU 46 CO -0.08 -0.13 1.18 -0.06 -0.54 0.00 0.00 175.26 175.64 2k4x s PHE 47 N 1.14 1.85 -0.93 5.30 0.08 -1.26 -0.03 117.98 124.13 2k4x s PHE 47 Ca -0.07 1.69 0.00 0.00 0.12 0.00 0.00 56.93 58.66 2k4x s PHE 47 Cb -0.14 -3.42 0.00 0.00 -0.57 0.00 0.00 43.02 38.89 2k4x s PHE 47 CO -0.01 -2.72 0.28 1.63 -0.10 0.00 0.00 175.22 174.30 2k4x n LYS 48 N -3.44 0.53 -2.15 0.44 4.76 -0.37 -4.71 118.16 113.21 2k4x n LYS 48 Ca 0.13 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.25 2k4x n LYS 48 Cb 0.51 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.39 2k4x n LYS 48 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2k4x s LYS 49 N -0.90 2.77 -0.57 1.97 2.20 -1.26 -4.91 119.74 119.03 2k4x s LYS 49 Ca 0.00 -0.24 -0.27 0.00 -0.36 0.00 0.00 55.97 55.10 2k4x s LYS 49 Cb 0.00 -4.93 -0.03 0.00 -1.51 0.00 0.00 37.83 31.36 2k4x s LYS 49 CO 0.00 -3.00 1.97 0.00 -0.36 0.00 0.00 175.35 173.96 2k4x s ALA 50 N 8.84 2.10 0.00 3.13 0.00 -1.26 -4.58 121.76 129.98 2k4x s ALA 50 Ca 0.64 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2k4x s ALA 50 Cb -0.07 -4.30 0.00 0.00 0.00 0.00 0.00 23.12 18.75 2k4x s ALA 50 CO 0.03 -3.94 0.00 1.63 0.00 0.00 0.00 175.76 173.48 2k4x n LYS 51 N 9.11 0.00 -3.82 0.00 5.02 -1.26 -5.01 118.16 122.19 2k4x n LYS 51 Ca 0.24 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.17 2k4x n LYS 51 Cb 0.52 -0.75 -0.13 0.00 -0.02 0.00 0.00 35.03 34.65 2k4x n LYS 51 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2k4x s LYS 52 N -1.69 3.17 0.23 1.97 2.20 -1.26 -5.02 119.74 119.33 2k4x s LYS 52 Ca 0.00 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.82 2k4x s LYS 52 Cb 0.00 -3.23 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 2k4x s LYS 52 CO 0.00 -0.36 0.00 0.45 -0.36 0.00 0.00 175.35 175.08 2k4x n SER 53 N 4.83 -4.51 -0.08 1.43 2.88 -1.26 -4.74 113.62 112.17 2k4x n SER 53 Ca -0.16 0.46 -0.20 0.00 -1.33 0.00 0.00 58.87 57.65 2k4x n SER 53 Cb 0.49 -2.38 -0.12 0.00 -0.75 0.00 0.00 64.21 61.44 2k4x n SER 53 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2k4x h LYS 54 N -0.71 0.04 0.00 -1.46 1.57 -1.99 -3.47 116.57 110.54 2k4x h LYS 54 Ca -0.03 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2k4x h LYS 54 Cb 0.70 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2k4x h LYS 54 CO 0.02 1.03 0.00 -1.13 -0.57 0.00 0.00 179.45 178.80