#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k4x n GLN 2 N 0.00 -2.69 -0.05 0.03 7.27 -1.26 -4.83 117.38 115.85 2k4x n GLN 2 Ca 0.00 2.19 0.20 0.00 0.07 0.00 0.00 57.00 59.47 2k4x n GLN 2 Cb 0.00 -2.70 0.66 0.00 2.41 0.00 0.00 30.24 30.61 2k4x n GLN 2 CO 0.00 0.00 0.00 1.57 0.07 0.00 0.00 177.06 178.70 2k4x h LYS 3 N 2.20 0.08 -5.74 3.69 -0.00 -2.14 -3.36 116.57 111.31 2k4x h LYS 3 Ca -0.00 -0.00 -0.62 0.00 -0.00 0.00 0.00 60.65 60.02 2k4x h LYS 3 Cb 0.01 -0.02 -0.13 0.00 -0.00 0.00 0.00 32.23 32.09 2k4x h LYS 3 CO 0.00 0.05 0.48 -0.98 -0.00 0.00 0.00 179.45 179.00 2k4x s ARG 4 N -5.09 3.32 -0.37 0.07 1.70 -1.26 -4.94 118.95 112.38 2k4x s ARG 4 Ca -0.06 -0.32 0.02 0.00 -0.47 0.00 0.00 55.73 54.90 2k4x s ARG 4 Cb 0.20 -4.05 0.15 0.00 -0.57 0.00 0.00 34.95 30.69 2k4x s ARG 4 CO 0.74 -1.41 0.32 -2.00 -1.08 0.00 0.00 175.30 171.87 2k4x s GLU 5 N 3.71 0.64 -0.57 3.89 2.56 -1.26 -5.08 118.70 122.59 2k4x s GLU 5 Ca 0.28 -1.19 -0.01 0.00 0.00 0.00 0.00 54.97 54.05 2k4x s GLU 5 Cb -0.13 -1.01 0.15 0.00 2.00 0.00 0.00 34.13 35.14 2k4x s GLU 5 CO 0.19 -1.23 0.37 -0.51 -0.56 0.00 0.00 175.26 173.52 2k4x s LEU 6 N 1.12 5.02 -0.41 2.70 1.43 -1.26 -5.04 118.68 122.23 2k4x s LEU 6 Ca 0.19 -2.79 -0.10 0.00 -1.03 0.00 0.00 54.13 50.40 2k4x s LEU 6 Cb -0.16 -1.80 0.07 0.00 0.03 0.00 0.00 46.19 44.33 2k4x s LEU 6 CO -0.03 -0.35 0.26 -0.72 0.23 0.00 0.00 176.35 175.74 2k4x s TYR 7 N 0.03 3.31 -0.21 0.29 1.13 -1.26 -5.03 117.35 115.60 2k4x s TYR 7 Ca 0.16 -1.36 -0.08 0.00 -1.41 0.00 0.00 57.07 54.38 2k4x s TYR 7 Cb -0.22 -2.87 0.09 0.00 -1.10 0.00 0.00 41.96 37.87 2k4x s TYR 7 CO -0.03 -0.80 0.46 -1.83 -2.51 0.00 0.00 175.55 170.84 2k4x s GLU 8 N 1.47 0.39 -0.13 -3.49 -1.05 -1.26 -5.14 118.70 109.48 2k4x s GLU 8 Ca 0.03 1.06 -0.24 0.00 -0.15 0.00 0.00 54.97 55.68 2k4x s GLU 8 Cb -0.22 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 33.78 2k4x s GLU 8 CO 0.03 -0.22 0.73 0.96 0.95 0.00 0.00 175.26 177.71 2k4x s ILE 9 N 2.41 4.98 -0.21 1.83 -4.36 -1.26 -5.03 121.20 119.56 2k4x s ILE 9 Ca -0.04 1.46 -0.05 0.00 -0.26 0.00 0.00 60.65 61.76 2k4x s ILE 9 Cb -0.11 -4.06 0.08 0.00 1.25 0.00 0.00 42.46 39.62 2k4x s ILE 9 CO -0.14 0.14 0.11 0.00 0.24 0.00 0.00 174.94 175.29 2k4x s ALA 10 N 1.55 0.43 0.15 2.27 0.00 -1.26 -5.14 121.76 119.77 2k4x s ALA 10 Ca 0.36 -0.53 -0.06 0.00 0.00 0.00 0.00 51.96 51.72 2k4x s ALA 10 Cb -0.17 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 2k4x s ALA 10 CO 0.14 -1.34 0.21 0.16 0.00 0.00 0.00 175.76 174.93 2k4x s ASP 11 N 2.14 0.13 -0.48 0.00 -4.77 -1.26 -5.12 116.67 107.31 2k4x s ASP 11 Ca 0.05 -0.95 -0.24 0.00 -3.30 0.00 0.00 52.55 48.11 2k4x s ASP 11 Cb -0.16 0.38 0.03 0.00 -1.09 0.00 0.00 42.92 42.08 2k4x s ASP 11 CO -0.19 -0.83 0.85 -0.83 0.70 0.00 0.00 175.17 174.88 2k4x s GLY 12 N -2.98 1.53 -0.12 2.12 0.00 -1.26 -5.00 107.32 101.60 2k4x s GLY 12 Ca 0.18 -1.01 -0.06 0.00 0.00 0.00 0.00 44.72 43.83 2k4x s GLY 12 CO -0.01 1.91 0.28 1.25 0.00 0.00 0.00 173.10 176.53 2k4x s LYS 13 N 3.54 0.25 -1.48 2.90 2.20 -1.26 -4.84 119.74 121.06 2k4x s LYS 13 Ca 0.32 0.56 -0.07 0.00 -0.36 0.00 0.00 55.97 56.42 2k4x s LYS 13 Cb -0.12 -0.08 0.02 0.00 -1.51 0.00 0.00 37.83 36.14 2k4x s LYS 13 CO 0.23 -0.15 0.78 1.28 -0.36 0.00 0.00 175.35 177.12 2k4x n LEU 14 N 4.12 -2.75 -0.09 5.43 4.32 -1.26 -4.92 117.00 121.86 2k4x n LEU 14 Ca -0.24 -0.40 -0.14 0.00 -0.02 0.00 0.00 56.01 55.21 2k4x n LEU 14 Cb 0.54 -2.88 -0.05 0.00 -1.62 0.00 0.00 43.42 39.41 2k4x n LEU 14 CO 0.13 0.35 -0.86 0.52 -1.22 0.00 0.00 177.39 176.32 2k4x n VAL 15 N -4.60 1.40 0.04 4.08 0.31 -1.26 -5.06 118.33 113.23 2k4x n VAL 15 Ca -0.06 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.26 2k4x n VAL 15 Cb 0.59 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 31.44 2k4x n VAL 15 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2k4x n ARG 16 N -4.22 0.00 -1.93 5.55 0.00 -1.26 -5.04 116.66 109.76 2k4x n ARG 16 Ca -0.25 0.00 -0.31 0.00 -0.00 0.00 0.00 57.85 57.29 2k4x n ARG 16 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.99 2k4x n ARG 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2k4x n LYS 17 N -2.67 1.59 0.00 -0.14 5.02 -1.26 -4.54 118.16 116.16 2k4x n LYS 17 Ca 0.00 -2.38 0.00 0.00 -2.02 0.00 0.00 58.31 53.91 2k4x n LYS 17 Cb 0.00 -3.61 0.00 0.00 -0.02 0.00 0.00 35.03 31.40 2k4x n LYS 17 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2k4x n HIS 18 N 13.34 0.00 -2.54 2.13 8.25 -1.26 -5.00 115.22 130.14 2k4x n HIS 18 Ca 0.46 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.52 2k4x n HIS 18 Cb 0.46 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.52 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 0.00 4.57 0.36 -0.41 0.52 -1.26 -4.97 118.95 117.76 2k4x s ARG 19 Ca 0.00 1.68 0.09 0.00 -0.52 0.00 0.00 55.73 56.98 2k4x s ARG 19 Cb 0.00 -3.06 -0.06 0.00 0.52 0.00 0.00 34.95 32.35 2k4x s ARG 19 CO 0.00 0.19 -0.00 -0.06 0.02 0.00 0.00 175.30 175.44 2k4x s PHE 20 N -1.28 2.50 -0.24 -0.53 0.08 -1.26 -4.03 117.98 113.23 2k4x s PHE 20 Ca 0.47 -0.52 -0.27 0.00 0.12 0.00 0.00 56.93 56.73 2k4x s PHE 20 Cb -0.29 -1.56 0.00 0.00 -0.57 0.00 0.00 43.02 40.61 2k4x s PHE 20 CO 0.36 0.47 0.94 0.00 -0.10 0.00 0.00 175.22 176.90 2k4x h PRO 22 N 7.57 -0.10 0.13 0.00 0.11 -1.98 1.25 132.00 138.96 2k4x h PRO 22 Ca -0.21 0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.61 2k4x h PRO 22 Cb 1.07 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 2k4x h PRO 22 CO 0.93 -0.07 -1.42 0.00 -0.21 0.00 0.00 178.00 177.23 2k4x h ARG 23 N -0.11 0.27 -0.00 1.05 3.08 -1.98 -3.26 114.38 113.42 2k4x h ARG 23 Ca 0.19 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2k4x h ARG 23 Cb 0.51 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2k4x h ARG 23 CO -0.85 1.16 -0.16 0.00 -1.07 0.00 0.00 179.97 179.05 2k4x h GLY 25 N 4.95 -1.44 -7.18 0.00 0.00 0.15 -0.06 103.07 99.51 2k4x h GLY 25 Ca 0.00 0.82 -0.06 0.00 0.00 0.00 0.00 47.33 48.10 2k4x h GLY 25 CO 0.00 -0.36 0.17 2.56 0.00 0.00 0.00 176.54 178.91 2k4x s PRO 26 N -4.60 1.38 0.00 4.80 0.04 -1.26 -1.76 135.00 133.60 2k4x s PRO 26 Ca -0.08 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.57 2k4x s PRO 26 Cb 0.06 -4.98 0.00 0.00 0.04 0.00 0.00 34.50 29.61 2k4x s PRO 26 CO 0.38 -5.19 0.00 0.41 0.04 0.00 0.00 177.00 172.64 2k4x n GLY 27 N 6.21 1.28 2.86 0.56 0.00 -1.24 -5.06 105.19 109.80 2k4x n GLY 27 Ca 0.42 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.97 1.49 0.83 1.61 1.01 -0.04 -5.12 120.40 119.22 2k4x s VAL 28 Ca 0.00 -1.81 -0.11 0.00 0.00 0.00 0.00 61.98 60.06 2k4x s VAL 28 Cb 0.00 -2.11 0.09 0.00 0.00 0.00 0.00 36.38 34.36 2k4x s VAL 28 CO 0.00 -0.64 1.13 0.72 0.00 0.00 0.00 175.10 176.31 2k4x s PHE 29 N 1.30 2.09 -0.30 5.22 -0.71 -1.26 -3.85 117.98 120.47 2k4x s PHE 29 Ca 0.10 1.67 -0.19 0.00 -1.04 0.00 0.00 56.93 57.47 2k4x s PHE 29 Cb -0.18 -3.23 -0.01 0.00 -1.21 0.00 0.00 43.02 38.38 2k4x s PHE 29 CO -0.18 -2.33 0.56 -1.17 -1.34 0.00 0.00 175.22 170.77 2k4x s LEU 30 N -6.11 4.15 -0.46 -1.99 2.96 -1.26 -4.77 118.68 111.21 2k4x s LEU 30 Ca 0.65 0.37 -0.27 0.00 -0.22 0.00 0.00 54.13 54.67 2k4x s LEU 30 Cb -0.21 -2.71 -0.07 0.00 0.50 0.00 0.00 46.19 43.70 2k4x s LEU 30 CO 0.55 -0.41 2.39 0.00 -1.32 0.00 0.00 176.35 177.57 2k4x n ALA 31 N 5.73 0.94 -2.61 5.97 0.00 0.40 -4.80 120.51 126.14 2k4x n ALA 31 Ca -0.03 -0.81 -0.42 0.00 0.00 0.00 0.00 53.44 52.18 2k4x n ALA 31 Cb 0.49 -3.14 -0.04 0.00 0.00 0.00 0.00 19.45 16.76 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 7.97 3.92 0.19 0.00 2.12 -1.26 -0.72 118.70 130.92 2k4x s GLU 32 Ca 1.00 0.62 0.08 0.00 0.36 0.00 0.00 54.97 57.03 2k4x s GLU 32 Cb -0.23 -3.76 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2k4x s GLU 32 CO 0.28 -0.80 -0.05 -1.01 -0.54 0.00 0.00 175.26 173.14 2k4x s HIS 33 N 3.21 2.71 0.54 5.30 3.76 0.11 -5.00 115.29 125.93 2k4x s HIS 33 Ca 0.36 -0.19 0.23 0.00 -0.15 0.00 0.00 55.06 55.30 2k4x s HIS 33 Cb -0.13 -1.30 1.44 0.00 1.11 0.00 0.00 32.58 33.70 2k4x s HIS 33 CO 0.15 0.53 2.10 0.00 -0.85 0.00 0.00 174.74 176.67 2k4x h ALA 34 N 2.66 2.08 0.04 -1.40 0.00 -2.03 -1.83 119.26 118.79 2k4x h ALA 34 Ca -0.46 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.13 2k4x h ALA 34 Cb 1.21 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2k4x h ALA 34 CO 0.57 -0.28 -1.72 -0.44 0.00 0.00 0.00 179.25 177.37 2k4x h ASP 35 N 0.00 0.15 -5.39 0.00 3.32 -1.98 -3.46 116.42 109.05 2k4x h ASP 35 Ca 0.10 -0.30 0.26 0.00 0.02 0.00 0.00 57.03 57.11 2k4x h ASP 35 Cb 0.44 -0.05 -0.12 0.00 0.22 0.00 0.00 39.33 39.82 2k4x h ASP 35 CO -0.00 1.27 0.70 0.00 -1.72 0.00 0.00 179.24 179.48 2k4x s ARG 36 N -2.60 0.67 0.15 3.56 1.70 -0.69 -1.57 118.95 120.18 2k4x s ARG 36 Ca -0.09 -0.35 -0.00 0.00 -0.47 0.00 0.00 55.73 54.81 2k4x s ARG 36 Cb 0.08 0.24 -0.04 0.00 -0.57 0.00 0.00 34.95 34.65 2k4x s ARG 36 CO 0.81 -0.30 0.33 0.71 -1.08 0.00 0.00 175.30 175.77 2k4x s TYR 37 N -2.74 3.49 0.08 5.89 2.02 0.17 0.09 117.35 126.35 2k4x s TYR 37 Ca 0.12 0.30 -0.08 0.00 -0.37 0.00 0.00 57.07 57.04 2k4x s TYR 37 Cb 0.02 -1.81 -0.00 0.00 -0.40 0.00 0.00 41.96 39.76 2k4x s TYR 37 CO -0.02 0.46 0.17 0.45 -1.57 0.00 0.00 175.55 175.04 2k4x s SER 38 N -2.95 0.14 -0.39 2.29 0.15 0.10 -1.22 113.70 111.82 2k4x s SER 38 Ca 0.37 -0.64 0.01 0.00 0.70 0.00 0.00 55.95 56.39 2k4x s SER 38 Cb -0.12 0.32 0.13 0.00 -1.71 0.00 0.00 66.02 64.65 2k4x s SER 38 CO 0.28 -0.69 0.21 0.00 1.20 0.00 0.00 173.24 174.24 2k4x n GLY 40 N 3.92 1.36 0.00 0.00 0.00 -1.26 -0.24 105.19 108.97 2k4x n GLY 40 Ca 0.08 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 7.74 0.00 -0.09 1.61 3.00 -1.26 -4.94 116.66 122.73 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 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.90 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 0.00 0.64 3.60 0.00 0.00 0.67 -4.93 105.19 105.16 2k4x n GLY 43 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.79 1.27 -0.14 1.61 5.04 -1.23 -4.62 117.35 116.48 2k4x s TYR 44 Ca 0.00 0.64 -0.00 0.00 -2.44 0.00 0.00 57.07 55.27 2k4x s TYR 44 Cb 0.00 -3.93 0.03 0.00 0.35 0.00 0.00 41.96 38.40 2k4x s TYR 44 CO 0.00 -3.75 -0.10 0.99 -1.34 0.00 0.00 175.55 171.34 2k4x s THR 45 N 8.40 1.32 -0.01 4.34 2.01 -1.26 -0.01 115.64 130.43 2k4x s THR 45 Ca 0.97 -0.52 0.07 0.00 0.31 0.00 0.00 61.69 62.51 2k4x s THR 45 Cb -0.30 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 2k4x s THR 45 CO 0.34 0.37 -0.23 -0.70 -0.69 0.00 0.00 174.62 173.71 2k4x s GLU 46 N 1.58 1.86 0.30 4.92 2.12 -0.35 -4.98 118.70 124.15 2k4x s GLU 46 Ca 0.04 -0.84 -0.28 0.00 0.36 0.00 0.00 54.97 54.25 2k4x s GLU 46 Cb -0.13 -1.82 -0.09 0.00 0.26 0.00 0.00 34.13 32.35 2k4x s GLU 46 CO -0.09 0.50 1.01 -0.06 -0.54 0.00 0.00 175.26 176.08 2k4x s PHE 47 N -0.56 3.67 -0.54 5.30 0.08 -1.26 0.46 117.98 125.12 2k4x s PHE 47 Ca 0.09 1.77 -0.29 0.00 0.12 0.00 0.00 56.93 58.62 2k4x s PHE 47 Cb -0.09 -3.10 -0.11 0.00 -0.57 0.00 0.00 43.02 39.16 2k4x s PHE 47 CO -0.01 -0.11 2.41 1.63 -0.10 0.00 0.00 175.22 179.04 2k4x n LYS 48 N 0.94 0.94 -2.02 0.44 4.76 -0.61 -4.80 118.16 117.81 2k4x n LYS 48 Ca 0.00 0.11 -0.27 0.00 -2.87 0.00 0.00 58.31 55.28 2k4x n LYS 48 Cb 0.47 -2.86 -0.05 0.00 -1.84 0.00 0.00 35.03 30.75 2k4x n LYS 48 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2k4x s LYS 49 N 7.85 2.50 -0.31 1.97 -0.14 -1.26 -4.72 119.74 125.63 2k4x s LYS 49 Ca 1.08 -0.18 0.09 0.00 -1.36 0.00 0.00 55.97 55.60 2k4x s LYS 49 Cb -0.53 -5.00 0.56 0.00 -1.68 0.00 0.00 37.83 31.17 2k4x s LYS 49 CO 0.36 -3.40 1.57 0.00 -0.76 0.00 0.00 175.35 173.12 2k4x n ALA 50 N 14.17 4.42 -0.28 5.17 0.00 -1.26 -4.61 120.51 138.12 2k4x n ALA 50 Ca 0.39 -2.94 0.11 0.00 0.00 0.00 0.00 53.44 51.01 2k4x n ALA 50 Cb 0.47 -0.91 0.36 0.00 0.00 0.00 0.00 19.45 19.37 2k4x n ALA 50 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2k4x h LYS 51 N 1.21 0.71 -5.48 0.00 1.63 -2.01 -3.47 116.57 109.17 2k4x h LYS 51 Ca 0.28 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 60.00 2k4x h LYS 51 Cb 1.92 -0.16 0.00 0.00 -0.60 0.00 0.00 32.23 33.39 2k4x h LYS 51 CO 0.53 0.47 -0.89 1.17 -3.45 0.00 0.00 179.45 177.29 2k4x n LYS 52 N -4.56 -2.61 -2.83 1.90 4.81 -1.26 -5.06 118.16 108.54 2k4x n LYS 52 Ca 0.17 2.22 -0.08 0.00 -0.87 0.00 0.00 58.31 59.75 2k4x n LYS 52 Cb 0.44 -4.55 -0.03 0.00 0.02 0.00 0.00 35.03 30.92 2k4x n LYS 52 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 2k4x n SER 53 N 0.46 -0.36 -4.65 3.14 7.64 -1.26 -5.11 113.62 113.48 2k4x n SER 53 Ca 0.02 -1.88 -0.43 0.00 1.01 0.00 0.00 58.87 57.60 2k4x n SER 53 Cb 0.25 0.79 -0.03 0.00 -1.01 0.00 0.00 64.21 64.21 2k4x n SER 53 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k4x s LYS 54 N -2.50 4.03 0.00 1.43 3.01 -1.26 -5.25 119.74 119.20 2k4x s LYS 54 Ca 0.15 1.86 0.00 0.00 -1.01 0.00 0.00 55.97 56.97 2k4x s LYS 54 Cb 0.00 -3.96 0.00 0.00 -1.01 0.00 0.00 37.83 32.86 2k4x s LYS 54 CO 0.11 -1.01 0.00 0.43 0.51 0.00 0.00 175.35 175.39