#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 1.22 -1.98 0.03 3.00 -1.26 -4.85 117.38 113.53 2k4x n GLN 2 Ca 0.00 0.47 -0.40 0.00 -0.01 0.00 0.00 57.00 57.06 2k4x n GLN 2 Cb 0.00 -2.53 -0.03 0.00 0.00 0.00 0.00 30.24 27.68 2k4x n GLN 2 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2k4x s LYS 3 N -3.27 2.86 -1.49 -1.09 2.20 -1.26 -4.88 119.74 112.82 2k4x s LYS 3 Ca 0.81 1.01 -0.12 0.00 -0.36 0.00 0.00 55.97 57.30 2k4x s LYS 3 Cb -0.39 -4.33 0.02 0.00 -1.51 0.00 0.00 37.83 31.62 2k4x s LYS 3 CO 0.42 -2.43 2.41 0.54 -0.36 0.00 0.00 175.35 175.93 2k4x n ARG 4 N 8.86 3.19 -0.39 4.03 1.74 -1.26 -3.53 116.66 129.30 2k4x n ARG 4 Ca 0.23 -2.59 0.00 0.00 -0.77 0.00 0.00 57.85 54.72 2k4x n ARG 4 Cb 0.50 -3.11 0.00 0.00 -1.02 0.00 0.00 32.46 28.83 2k4x n ARG 4 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2k4x n GLU 5 N 5.12 0.00 -0.94 5.56 4.07 -1.26 -5.15 120.64 128.05 2k4x n GLU 5 Ca 0.59 -0.15 0.12 0.00 -0.06 0.00 0.00 57.16 57.65 2k4x n GLU 5 Cb 0.34 -0.09 -0.05 0.00 -0.06 0.00 0.00 31.44 31.59 2k4x n GLU 5 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2k4x n LEU 6 N 0.00 -0.59 -4.59 4.31 4.32 -1.23 -4.93 117.00 114.29 2k4x n LEU 6 Ca 0.00 1.36 -0.34 0.00 -0.02 0.00 0.00 56.01 57.00 2k4x n LEU 6 Cb 0.53 -2.85 -0.11 0.00 -1.62 0.00 0.00 43.42 39.37 2k4x n LEU 6 CO 0.00 -1.86 -0.35 -0.31 -1.22 0.00 0.00 177.39 173.65 2k4x s TYR 7 N -3.01 3.03 -0.50 -1.77 1.51 -1.26 -4.96 117.35 110.39 2k4x s TYR 7 Ca 0.00 -0.01 -0.21 0.00 -1.01 0.00 0.00 57.07 55.84 2k4x s TYR 7 Cb 0.00 -1.80 0.05 0.00 -0.11 0.00 0.00 41.96 40.09 2k4x s TYR 7 CO 0.00 0.28 0.71 -1.21 -1.11 0.00 0.00 175.55 174.22 2k4x s GLU 8 N -0.52 3.22 0.46 -0.62 0.41 -1.26 -4.91 118.70 115.47 2k4x s GLU 8 Ca 0.08 -0.60 0.25 0.00 -0.41 0.00 0.00 54.97 54.30 2k4x s GLU 8 Cb -0.12 -4.05 0.99 0.00 -1.78 0.00 0.00 34.13 29.17 2k4x s GLU 8 CO 0.02 -1.24 1.85 -0.84 -0.49 0.00 0.00 175.26 174.56 2k4x h ILE 9 N 5.91 0.48 -3.22 -1.63 3.07 -2.04 -3.43 117.51 116.64 2k4x h ILE 9 Ca -0.27 -1.02 -0.57 0.00 1.55 0.00 0.00 64.86 64.56 2k4x h ILE 9 Cb 1.09 1.72 -0.05 0.00 -0.27 0.00 0.00 36.82 39.31 2k4x h ILE 9 CO 0.98 0.19 0.59 0.00 -1.05 0.00 0.00 178.15 178.85 2k4x s ALA 10 N -3.67 3.50 -0.16 0.16 0.00 -1.26 -4.98 121.76 115.34 2k4x s ALA 10 Ca 0.01 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 2k4x s ALA 10 Cb 0.10 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 2k4x s ALA 10 CO 0.62 -0.72 2.06 -0.51 0.00 0.00 0.00 175.76 177.22 2k4x s ASP 11 N 1.13 5.83 0.00 0.00 1.11 -1.26 -4.93 116.67 118.55 2k4x s ASP 11 Ca 0.45 2.02 0.00 0.00 0.18 0.00 0.00 52.55 55.21 2k4x s ASP 11 Cb -0.17 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.30 2k4x s ASP 11 CO 0.14 -1.64 0.04 0.61 1.18 0.00 0.00 175.17 175.50 2k4x n GLY 12 N 5.31 0.11 1.47 0.21 0.00 -1.26 -5.04 105.19 105.99 2k4x n GLY 12 Ca 0.26 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.47 2k4x n GLY 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k4x n LYS 13 N -0.11 -3.08 -3.98 1.61 4.76 -1.26 -4.74 118.16 111.36 2k4x n LYS 13 Ca 0.00 2.17 -0.32 0.00 -2.87 0.00 0.00 58.31 57.30 2k4x n LYS 13 Cb 0.00 -3.71 -0.14 0.00 -1.84 0.00 0.00 35.03 29.33 2k4x n LYS 13 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2k4x s LEU 14 N -7.26 4.78 -0.36 -0.35 1.43 -1.26 -5.06 118.68 110.60 2k4x s LEU 14 Ca 0.00 -2.25 -0.27 0.00 -1.03 0.00 0.00 54.13 50.57 2k4x s LEU 14 Cb 0.00 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.58 2k4x s LEU 14 CO 0.00 -0.38 0.99 -0.69 0.23 0.00 0.00 176.35 176.50 2k4x s VAL 15 N 0.77 4.53 -0.18 -1.59 1.01 -1.26 -4.88 120.40 118.80 2k4x s VAL 15 Ca 0.11 1.37 0.16 0.00 0.00 0.00 0.00 61.98 63.63 2k4x s VAL 15 Cb -0.20 -4.38 -0.22 0.00 0.00 0.00 0.00 36.38 31.57 2k4x s VAL 15 CO -0.07 -0.56 0.06 0.54 0.00 0.00 0.00 175.10 175.08 2k4x n ARG 16 N 6.90 1.03 -2.09 2.72 1.74 -1.26 -4.97 116.66 120.72 2k4x n ARG 16 Ca 0.09 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.75 2k4x n ARG 16 Cb 0.48 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 2k4x n ARG 16 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2k4x s LYS 17 N -2.44 4.29 -0.43 5.56 2.20 -1.26 -4.91 119.74 122.75 2k4x s LYS 17 Ca -0.09 2.18 -0.28 0.00 -0.36 0.00 0.00 55.97 57.42 2k4x s LYS 17 Cb 0.05 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 33.16 2k4x s LYS 17 CO 0.74 -0.46 1.82 -1.01 -0.36 0.00 0.00 175.35 176.08 2k4x s HIS 18 N 0.85 1.76 0.73 4.03 3.76 -1.26 -4.94 115.29 120.23 2k4x s HIS 18 Ca 0.64 0.71 -0.15 0.00 -0.15 0.00 0.00 55.06 56.11 2k4x s HIS 18 Cb -0.39 -4.10 0.04 0.00 1.11 0.00 0.00 32.58 29.23 2k4x s HIS 18 CO 0.33 -2.68 1.24 1.03 -0.85 0.00 0.00 174.74 173.81 2k4x s ARG 19 N 6.15 2.08 0.56 1.40 0.52 -1.26 -5.00 118.95 123.42 2k4x s ARG 19 Ca 0.75 1.88 0.06 0.00 -0.52 0.00 0.00 55.73 57.91 2k4x s ARG 19 Cb -0.19 -1.81 0.06 0.00 0.52 0.00 0.00 34.95 33.54 2k4x s ARG 19 CO 0.29 -1.91 0.54 1.19 0.02 0.00 0.00 175.30 175.43 2k4x n PHE 20 N -2.64 -1.11 -3.25 -0.53 3.72 -1.26 -4.18 117.46 108.21 2k4x n PHE 20 Ca 0.14 -2.28 -0.39 0.00 -0.05 0.00 0.00 57.45 54.87 2k4x n PHE 20 Cb 0.49 -0.49 -0.07 0.00 -0.94 0.00 0.00 39.48 38.48 2k4x n PHE 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2k4x h PRO 22 N 7.56 0.02 0.00 0.00 0.11 -1.98 0.65 132.00 138.35 2k4x h PRO 22 Ca -0.33 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.74 2k4x h PRO 22 Cb 1.15 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k4x h PRO 22 CO 0.73 0.01 -0.48 0.00 -0.21 0.00 0.00 178.00 178.06 2k4x h ARG 23 N 0.02 0.00 0.00 1.05 3.08 -1.97 -3.36 114.38 113.20 2k4x h ARG 23 Ca 0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.48 2k4x h ARG 23 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 2k4x h ARG 23 CO -0.83 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 178.35 2k4x n GLY 25 N 0.36 -2.64 3.58 0.00 0.00 0.23 -0.59 105.19 106.13 2k4x n GLY 25 Ca 0.11 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.73 2k4x n GLY 25 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k4x s PRO 26 N -4.19 1.75 0.00 1.61 0.04 -1.26 -2.00 135.00 130.95 2k4x s PRO 26 Ca -0.05 -0.68 0.00 0.00 0.04 0.00 0.00 61.00 60.31 2k4x s PRO 26 Cb 0.05 -5.08 0.00 0.00 0.04 0.00 0.00 34.50 29.51 2k4x s PRO 26 CO 0.27 -4.81 0.00 0.41 0.04 0.00 0.00 177.00 172.91 2k4x n GLY 27 N 6.06 1.30 2.75 0.56 0.00 -1.21 -5.08 105.19 109.58 2k4x n GLY 27 Ca 0.43 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.67 0.68 1.23 1.61 1.01 0.24 -5.13 120.40 119.36 2k4x s VAL 28 Ca 0.00 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 2k4x s VAL 28 Cb 0.00 -1.25 0.30 0.00 0.00 0.00 0.00 36.38 35.43 2k4x s VAL 28 CO 0.00 -0.32 1.01 0.72 0.00 0.00 0.00 175.10 176.51 2k4x s PHE 29 N 1.77 0.88 -0.30 5.22 -0.71 -1.26 -3.72 117.98 119.86 2k4x s PHE 29 Ca 0.01 0.94 -0.10 0.00 -1.04 0.00 0.00 56.93 56.74 2k4x s PHE 29 Cb -0.17 -3.08 -0.02 0.00 -1.21 0.00 0.00 43.02 38.53 2k4x s PHE 29 CO -0.13 -4.10 0.16 -1.17 -1.34 0.00 0.00 175.22 168.65 2k4x s LEU 30 N -7.30 4.06 -0.86 -1.99 2.96 -1.26 -4.60 118.68 109.68 2k4x s LEU 30 Ca 0.68 -0.35 -0.25 0.00 -0.22 0.00 0.00 54.13 53.99 2k4x s LEU 30 Cb -0.20 -2.04 -0.09 0.00 0.50 0.00 0.00 46.19 44.35 2k4x s LEU 30 CO 0.62 -0.15 2.16 0.00 -1.32 0.00 0.00 176.35 177.66 2k4x s ALA 31 N 1.66 1.18 0.14 5.97 0.00 0.12 -4.83 121.76 126.01 2k4x s ALA 31 Ca 0.06 -1.20 -0.30 0.00 0.00 0.00 0.00 51.96 50.51 2k4x s ALA 31 Cb -0.17 -4.57 -0.07 0.00 0.00 0.00 0.00 23.12 18.31 2k4x s ALA 31 CO 0.08 -5.40 1.10 -2.00 0.00 0.00 0.00 175.76 169.54 2k4x s GLU 32 N 7.90 4.57 0.08 0.00 2.12 -1.26 -0.22 118.70 131.88 2k4x s GLU 32 Ca 0.81 1.70 0.04 0.00 0.36 0.00 0.00 54.97 57.87 2k4x s GLU 32 Cb -0.09 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.96 2k4x s GLU 32 CO 0.04 0.01 -0.11 -1.01 -0.54 0.00 0.00 175.26 173.66 2k4x s HIS 33 N 0.08 1.00 0.59 5.30 3.76 0.12 -4.96 115.29 121.19 2k4x s HIS 33 Ca 0.51 -0.57 0.29 0.00 -0.15 0.00 0.00 55.06 55.14 2k4x s HIS 33 Cb -0.29 -0.56 1.63 0.00 1.11 0.00 0.00 32.58 34.47 2k4x s HIS 33 CO 0.33 -0.01 2.05 0.00 -0.85 0.00 0.00 174.74 176.27 2k4x h ALA 34 N 3.99 1.86 0.03 -1.40 0.00 -2.03 -1.22 119.26 120.48 2k4x h ALA 34 Ca -0.38 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.19 2k4x h ALA 34 Cb 1.19 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 2k4x h ALA 34 CO 0.46 -0.39 -1.95 -3.47 0.00 0.00 0.00 179.25 173.91 2k4x n ASP 35 N -3.74 1.06 -3.66 0.00 2.03 -1.26 -4.86 116.55 106.13 2k4x n ASP 35 Ca 0.03 0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.60 2k4x n ASP 35 Cb 0.40 -0.07 -0.01 0.00 -0.72 0.00 0.00 41.12 40.72 2k4x n ASP 35 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k4x s ARG 36 N -2.56 0.63 0.07 -0.67 1.70 -0.46 -2.20 118.95 115.46 2k4x s ARG 36 Ca -0.12 -0.35 -0.02 0.00 -0.47 0.00 0.00 55.73 54.77 2k4x s ARG 36 Cb 0.07 0.21 -0.05 0.00 -0.57 0.00 0.00 34.95 34.62 2k4x s ARG 36 CO 0.80 -0.29 0.26 0.71 -1.08 0.00 0.00 175.30 175.70 2k4x s TYR 37 N -2.63 3.52 0.10 5.89 1.51 0.12 0.16 117.35 126.01 2k4x s TYR 37 Ca 0.14 0.38 -0.04 0.00 -1.01 0.00 0.00 57.07 56.55 2k4x s TYR 37 Cb 0.03 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2k4x s TYR 37 CO -0.02 0.55 0.08 0.45 -1.11 0.00 0.00 175.55 175.51 2k4x s SER 38 N -2.34 0.31 -0.12 2.29 0.15 0.69 -1.53 113.70 113.14 2k4x s SER 38 Ca 0.35 -0.98 -0.05 0.00 0.70 0.00 0.00 55.95 55.97 2k4x s SER 38 Cb -0.13 0.29 0.05 0.00 -1.71 0.00 0.00 66.02 64.52 2k4x s SER 38 CO 0.25 -0.70 0.26 0.00 1.20 0.00 0.00 173.24 174.25 2k4x s GLY 40 N 1.76 1.54 0.00 0.00 0.00 -1.26 -0.90 107.32 108.46 2k4x s GLY 40 Ca -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 44.72 43.70 2k4x s GLY 40 CO -0.09 -0.02 0.00 0.54 0.00 0.00 0.00 173.10 173.53 2k4x n ARG 41 N -5.04 0.00 0.00 2.90 5.12 -1.26 -3.72 116.66 114.67 2k4x n ARG 41 Ca 0.14 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 2k4x n ARG 41 Cb 0.60 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.90 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 0.79 0.91 3.69 0.00 0.00 -0.08 -4.96 105.19 105.54 2k4x n GLY 43 Ca 0.00 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 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 -2.32 2.30 -0.04 1.61 5.04 -1.19 -4.72 117.35 118.03 2k4x s TYR 44 Ca 0.00 0.19 0.04 0.00 -2.44 0.00 0.00 57.07 54.86 2k4x s TYR 44 Cb 0.00 -4.03 -0.00 0.00 0.35 0.00 0.00 41.96 38.28 2k4x s TYR 44 CO 0.00 -4.21 -0.15 0.99 -1.34 0.00 0.00 175.55 170.84 2k4x s THR 45 N 2.76 1.25 -0.11 4.34 2.01 -1.26 -0.25 115.64 124.37 2k4x s THR 45 Ca 0.76 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 2k4x s THR 45 Cb -0.42 -1.08 0.05 0.00 0.01 0.00 0.00 72.50 71.06 2k4x s THR 45 CO 0.34 0.37 0.07 -0.70 -0.69 0.00 0.00 174.62 174.00 2k4x s GLU 46 N 0.10 0.10 0.53 4.92 2.12 -0.58 -4.99 118.70 120.90 2k4x s GLU 46 Ca -0.04 0.08 -0.22 0.00 0.36 0.00 0.00 54.97 55.15 2k4x s GLU 46 Cb -0.11 -1.28 -0.06 0.00 0.26 0.00 0.00 34.13 32.94 2k4x s GLU 46 CO 0.02 -0.51 1.31 1.19 -0.54 0.00 0.00 175.26 176.72 2k4x n PHE 47 N 5.26 2.13 -1.77 5.30 3.72 -1.26 0.13 117.46 130.97 2k4x n PHE 47 Ca -0.06 0.44 -0.20 0.00 -0.05 0.00 0.00 57.45 57.58 2k4x n PHE 47 Cb 0.49 -2.34 -0.06 0.00 -0.94 0.00 0.00 39.48 36.63 2k4x n PHE 47 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2k4x s LYS 48 N -2.76 2.01 -0.24 -1.08 -0.14 -0.93 -4.74 119.74 111.85 2k4x s LYS 48 Ca 0.70 0.24 -0.29 0.00 -1.36 0.00 0.00 55.97 55.26 2k4x s LYS 48 Cb -0.43 -4.87 -0.01 0.00 -1.68 0.00 0.00 37.83 30.84 2k4x s LYS 48 CO 0.50 -3.94 1.35 0.21 -0.76 0.00 0.00 175.35 172.71 2k4x s LYS 49 N 8.09 3.99 -0.39 1.68 2.20 -1.26 -4.94 119.74 129.11 2k4x s LYS 49 Ca 0.83 1.45 0.06 0.00 -0.36 0.00 0.00 55.97 57.95 2k4x s LYS 49 Cb -0.11 -3.87 0.17 0.00 -1.51 0.00 0.00 37.83 32.51 2k4x s LYS 49 CO 0.06 -1.02 0.50 0.00 -0.36 0.00 0.00 175.35 174.53 2k4x s ALA 50 N 4.25 -1.38 0.36 3.13 0.00 -1.26 -4.99 121.76 121.86 2k4x s ALA 50 Ca 0.59 -0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.22 2k4x s ALA 50 Cb -0.20 -2.39 0.68 0.00 0.00 0.00 0.00 23.12 21.22 2k4x s ALA 50 CO 0.22 -2.18 1.89 -0.22 0.00 0.00 0.00 175.76 175.47 2k4x h LYS 51 N 7.03 0.40 -5.99 0.00 1.63 -1.97 -3.40 116.57 114.27 2k4x h LYS 51 Ca 0.05 -0.09 -0.67 0.00 -0.85 0.00 0.00 60.65 59.09 2k4x h LYS 51 Cb 1.12 -0.06 -0.14 0.00 -0.60 0.00 0.00 32.23 32.56 2k4x h LYS 51 CO 0.15 0.47 -0.61 0.15 -3.45 0.00 0.00 179.45 176.16 2k4x s LYS 52 N -4.86 2.98 -0.13 1.90 -0.14 -1.26 -5.11 119.74 113.12 2k4x s LYS 52 Ca -0.07 -0.44 -0.04 0.00 -1.36 0.00 0.00 55.97 54.07 2k4x s LYS 52 Cb 0.15 -2.80 0.06 0.00 -1.68 0.00 0.00 37.83 33.56 2k4x s LYS 52 CO 0.75 0.69 0.19 -1.12 -0.76 0.00 0.00 175.35 175.10 2k4x s SER 53 N -1.14 0.93 -0.92 2.83 0.01 -1.26 -5.08 113.70 109.07 2k4x s SER 53 Ca 0.16 0.19 -0.24 0.00 1.31 0.00 0.00 55.95 57.36 2k4x s SER 53 Cb -0.11 0.35 -0.05 0.00 0.21 0.00 0.00 66.02 66.41 2k4x s SER 53 CO 0.05 -0.27 1.96 -1.59 0.41 0.00 0.00 173.24 173.80 2k4x s LYS 54 N 2.32 2.52 0.00 12.44 -2.85 -1.26 -5.24 119.74 127.67 2k4x s LYS 54 Ca 0.04 -0.32 0.29 0.00 -1.00 0.00 0.00 55.97 54.97 2k4x s LYS 54 Cb -0.13 -5.07 1.24 0.00 -2.06 0.00 0.00 37.83 31.81 2k4x s LYS 54 CO -0.08 -3.45 1.85 0.43 0.10 0.00 0.00 175.35 174.21