#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 3.42 0.45 0.03 -0.44 -1.26 -4.91 119.66 116.94 2k4x s GLN 2 Ca 0.00 -1.64 0.07 0.00 -2.50 0.00 0.00 55.36 51.29 2k4x s GLN 2 Cb 0.00 -5.42 -0.01 0.00 -1.64 0.00 0.00 33.01 25.94 2k4x s GLN 2 CO 0.00 -2.90 0.40 0.15 0.50 0.00 0.00 175.29 173.44 2k4x s LYS 3 N 5.10 2.45 -0.96 1.67 1.02 -1.26 -5.03 119.74 122.74 2k4x s LYS 3 Ca 0.59 -1.65 -0.24 0.00 0.02 0.00 0.00 55.97 54.70 2k4x s LYS 3 Cb 0.02 -2.32 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 2k4x s LYS 3 CO 0.09 -0.31 1.75 1.03 -0.92 0.00 0.00 175.35 177.00 2k4x s ARG 4 N -4.18 2.97 0.19 1.68 0.52 -1.26 -4.84 118.95 114.04 2k4x s ARG 4 Ca 0.46 -0.64 -0.13 0.00 -0.52 0.00 0.00 55.73 54.89 2k4x s ARG 4 Cb -0.03 -5.19 0.21 0.00 0.52 0.00 0.00 34.95 30.47 2k4x s ARG 4 CO 0.27 -2.93 1.67 1.05 0.02 0.00 0.00 175.30 175.38 2k4x h GLU 5 N 10.64 0.08 0.00 3.54 4.11 -1.95 -3.47 114.58 127.53 2k4x h GLU 5 Ca 0.14 -0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.57 2k4x h GLU 5 Cb 1.00 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2k4x h GLU 5 CO 1.30 0.05 0.00 1.28 0.07 0.00 0.00 179.01 181.71 2k4x n LEU 6 N -5.29 0.00 0.00 3.06 4.77 -1.26 -4.55 117.00 113.73 2k4x n LEU 6 Ca 0.06 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 2k4x n LEU 6 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k4x n LEU 6 CO 0.12 -0.32 -0.28 -1.22 -1.33 0.00 0.00 177.39 174.36 2k4x n TYR 7 N -0.18 0.00 -1.27 -1.77 4.02 -1.26 -5.13 117.16 111.57 2k4x n TYR 7 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 2k4x n TYR 7 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 2k4x n TYR 7 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2k4x n GLU 8 N -1.23 -3.57 -1.42 -0.72 1.02 -1.26 -4.62 120.64 108.84 2k4x n GLU 8 Ca 0.00 2.59 -0.42 0.00 -0.02 0.00 0.00 57.16 59.30 2k4x n GLU 8 Cb 0.00 -2.86 -0.03 0.00 -0.02 0.00 0.00 31.44 28.52 2k4x n GLU 8 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2k4x n ILE 9 N -0.01 2.48 -1.93 -3.67 -5.35 -1.26 -3.85 119.36 105.77 2k4x n ILE 9 Ca 0.00 -2.19 0.00 0.00 -0.27 0.00 0.00 62.75 60.29 2k4x n ILE 9 Cb 0.00 -2.43 0.00 0.00 -1.74 0.00 0.00 39.64 35.47 2k4x n ILE 9 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k4x n ALA 10 N 7.17 1.83 -1.99 -1.28 0.00 -1.26 -4.64 120.51 120.34 2k4x n ALA 10 Ca 0.50 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 2k4x n ALA 10 Cb 0.40 -0.17 -0.04 0.00 0.00 0.00 0.00 19.45 19.64 2k4x n ALA 10 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2k4x s ASP 11 N -0.35 7.33 0.00 0.00 -4.77 -1.25 -4.87 116.67 112.77 2k4x s ASP 11 Ca 0.00 2.08 0.00 0.00 -3.30 0.00 0.00 52.55 51.33 2k4x s ASP 11 Cb 0.00 -2.61 0.00 0.00 -1.09 0.00 0.00 42.92 39.22 2k4x s ASP 11 CO 0.00 -0.15 0.00 0.61 0.70 0.00 0.00 175.17 176.33 2k4x n GLY 12 N 1.84 2.70 1.69 2.12 0.00 -1.26 -4.77 105.19 107.51 2k4x n GLY 12 Ca 0.01 -1.93 -0.12 0.00 0.00 0.00 0.00 46.02 43.98 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 0.64 1.59 -1.60 1.61 5.02 -1.26 -4.70 118.16 119.46 2k4x n LYS 13 Ca 0.00 -1.24 -0.40 0.00 -2.02 0.00 0.00 58.31 54.65 2k4x n LYS 13 Cb 0.00 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.51 2k4x n LYS 13 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k4x n LEU 14 N 0.29 8.07 -0.17 -0.35 4.77 -1.26 -4.59 117.00 123.77 2k4x n LEU 14 Ca 0.24 -4.43 -0.09 0.00 -0.03 0.00 0.00 56.01 51.69 2k4x n LEU 14 Cb 0.71 -1.54 0.00 0.00 -2.33 0.00 0.00 43.42 40.27 2k4x n LEU 14 CO 0.28 1.81 0.84 0.58 -1.33 0.00 0.00 177.39 179.58 2k4x h VAL 15 N 3.21 1.25 -2.98 4.08 2.07 -1.98 -3.41 116.25 118.49 2k4x h VAL 15 Ca 0.74 -0.96 -0.56 0.00 0.82 0.00 0.00 66.70 66.74 2k4x h VAL 15 Cb 0.39 0.92 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2k4x h VAL 15 CO 1.74 0.34 0.82 -0.13 0.02 0.00 0.00 177.57 180.36 2k4x s ARG 16 N -5.15 4.28 0.04 1.57 0.52 -1.26 -4.90 118.95 114.05 2k4x s ARG 16 Ca -0.13 1.70 0.22 0.00 -0.52 0.00 0.00 55.73 57.00 2k4x s ARG 16 Cb 0.11 -3.67 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 2k4x s ARG 16 CO 0.81 -0.60 0.87 1.63 0.02 0.00 0.00 175.30 178.03 2k4x n LYS 17 N 5.97 0.37 -2.15 3.54 4.76 -1.26 -4.97 118.16 124.42 2k4x n LYS 17 Ca 0.13 -0.04 -0.19 0.00 -2.87 0.00 0.00 58.31 55.33 2k4x n LYS 17 Cb 0.45 -1.58 -0.03 0.00 -1.84 0.00 0.00 35.03 32.03 2k4x n LYS 17 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2k4x n HIS 18 N -2.04 -0.67 -2.45 2.13 8.25 -1.26 -4.92 115.22 114.25 2k4x n HIS 18 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2k4x n HIS 18 Cb 0.47 -3.64 -0.03 0.00 1.12 0.00 0.00 29.99 27.91 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 -4.61 4.33 0.39 -0.41 0.52 -1.26 -5.04 118.95 112.88 2k4x s ARG 19 Ca 0.00 1.67 0.08 0.00 -0.52 0.00 0.00 55.73 56.96 2k4x s ARG 19 Cb 0.00 -3.59 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 2k4x s ARG 19 CO 0.00 -0.49 0.33 -0.06 0.02 0.00 0.00 175.30 175.10 2k4x s PHE 20 N 2.42 2.75 -0.44 -0.53 0.08 -1.26 -4.01 117.98 116.99 2k4x s PHE 20 Ca 0.56 -0.45 -0.28 0.00 0.12 0.00 0.00 56.93 56.88 2k4x s PHE 20 Cb -0.24 -2.04 0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2k4x s PHE 20 CO 0.21 -0.00 1.08 0.00 -0.10 0.00 0.00 175.22 176.40 2k4x h PRO 22 N 8.97 0.22 0.06 0.00 0.11 -1.98 1.36 132.00 140.74 2k4x h PRO 22 Ca -0.23 -0.01 -0.20 0.00 0.11 0.00 0.00 66.00 65.67 2k4x h PRO 22 Cb 1.06 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2k4x h PRO 22 CO 1.09 0.14 -1.03 0.00 -0.21 0.00 0.00 178.00 177.99 2k4x h ARG 23 N 0.22 0.13 -0.01 1.05 3.08 -1.97 -3.36 114.38 113.52 2k4x h ARG 23 Ca 0.77 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.60 2k4x h ARG 23 Cb 1.90 0.08 0.00 0.00 0.08 0.00 0.00 29.97 32.03 2k4x h ARG 23 CO -0.62 1.10 -0.07 0.00 -1.07 0.00 0.00 179.97 179.32 2k4x n GLY 25 N 1.22 -2.97 3.57 0.00 0.00 0.45 -0.55 105.19 106.91 2k4x n GLY 25 Ca 0.17 0.59 -0.14 0.00 0.00 0.00 0.00 46.02 46.64 2k4x n GLY 25 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2k4x s PRO 26 N -2.31 1.41 0.00 1.61 0.02 -1.26 -1.60 135.00 132.87 2k4x s PRO 26 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 61.00 61.14 2k4x s PRO 26 Cb 0.00 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.66 2k4x s PRO 26 CO 0.00 -4.91 0.00 0.41 -0.33 0.00 0.00 177.00 172.17 2k4x n GLY 27 N 6.55 1.25 2.66 0.52 0.00 -1.20 -5.07 105.19 109.90 2k4x n GLY 27 Ca 0.45 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.65 0.26 0.96 1.61 1.01 0.28 -5.14 120.40 118.73 2k4x s VAL 28 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2k4x s VAL 28 Cb 0.00 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.60 2k4x s VAL 28 CO 0.00 -0.38 1.09 0.72 0.00 0.00 0.00 175.10 176.53 2k4x s PHE 29 N 1.97 1.92 -0.42 5.22 -0.71 -1.26 -3.73 117.98 120.97 2k4x s PHE 29 Ca 0.03 1.41 -0.13 0.00 -1.04 0.00 0.00 56.93 57.20 2k4x s PHE 29 Cb -0.17 -3.19 0.05 0.00 -1.21 0.00 0.00 43.02 38.51 2k4x s PHE 29 CO -0.15 -2.82 0.28 -1.17 -1.34 0.00 0.00 175.22 170.02 2k4x s LEU 30 N -6.54 5.12 -0.70 -1.99 2.96 -1.26 -4.61 118.68 111.66 2k4x s LEU 30 Ca 0.65 -1.15 -0.25 0.00 -0.22 0.00 0.00 54.13 53.16 2k4x s LEU 30 Cb -0.21 -2.09 -0.13 0.00 0.50 0.00 0.00 46.19 44.26 2k4x s LEU 30 CO 0.59 -0.49 2.42 0.00 -1.32 0.00 0.00 176.35 177.54 2k4x n ALA 31 N 5.07 0.57 -2.79 5.97 0.00 0.26 -4.76 120.51 124.83 2k4x n ALA 31 Ca -0.11 -1.09 -0.43 0.00 0.00 0.00 0.00 53.44 51.81 2k4x n ALA 31 Cb 0.45 -3.12 -0.03 0.00 0.00 0.00 0.00 19.45 16.75 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 8.53 3.56 0.28 0.00 2.12 -1.26 -1.20 118.70 130.74 2k4x s GLU 32 Ca 1.01 -1.47 -0.10 0.00 0.36 0.00 0.00 54.97 54.76 2k4x s GLU 32 Cb -0.28 -5.01 -0.07 0.00 0.26 0.00 0.00 34.13 29.03 2k4x s GLU 32 CO 0.22 -1.93 0.62 -1.01 -0.54 0.00 0.00 175.26 172.63 2k4x s HIS 33 N 3.57 3.42 0.64 5.30 3.76 0.98 -4.96 115.29 128.01 2k4x s HIS 33 Ca 0.37 0.95 0.36 0.00 -0.15 0.00 0.00 55.06 56.59 2k4x s HIS 33 Cb -0.04 -2.33 2.03 0.00 1.11 0.00 0.00 32.58 33.35 2k4x s HIS 33 CO -0.08 0.16 2.22 0.00 -0.85 0.00 0.00 174.74 176.19 2k4x h ALA 34 N 2.19 1.32 0.17 -1.40 0.00 -2.01 -1.29 119.26 118.23 2k4x h ALA 34 Ca -0.47 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.16 2k4x h ALA 34 Cb 1.18 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.98 2k4x h ALA 34 CO 0.67 -0.13 -1.30 -0.44 0.00 0.00 0.00 179.25 178.05 2k4x h ASP 35 N 0.00 0.55 -5.80 0.00 5.19 -1.96 -3.44 116.42 110.97 2k4x h ASP 35 Ca 0.02 -0.91 0.33 0.00 -0.62 0.00 0.00 57.03 55.85 2k4x h ASP 35 Cb 0.23 -0.18 -0.10 0.00 0.18 0.00 0.00 39.33 39.46 2k4x h ASP 35 CO -0.00 1.60 0.85 0.00 -3.12 0.00 0.00 179.24 178.57 2k4x s ARG 36 N -2.51 0.40 -0.07 3.56 1.70 -0.49 -1.95 118.95 119.60 2k4x s ARG 36 Ca -0.15 -0.23 -0.10 0.00 -0.47 0.00 0.00 55.73 54.78 2k4x s ARG 36 Cb 0.03 0.13 -0.05 0.00 -0.57 0.00 0.00 34.95 34.49 2k4x s ARG 36 CO 0.84 -0.18 0.24 0.71 -1.08 0.00 0.00 175.30 175.83 2k4x s TYR 37 N -2.28 3.64 -0.00 5.89 1.51 0.12 -0.01 117.35 126.21 2k4x s TYR 37 Ca 0.19 0.69 -0.06 0.00 -1.01 0.00 0.00 57.07 56.88 2k4x s TYR 37 Cb 0.03 -2.06 0.00 0.00 -0.11 0.00 0.00 41.96 39.82 2k4x s TYR 37 CO -0.03 0.70 0.12 0.45 -1.11 0.00 0.00 175.55 175.68 2k4x s SER 38 N -1.12 0.02 -0.37 2.29 0.15 -0.34 -1.60 113.70 112.74 2k4x s SER 38 Ca 0.19 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.69 2k4x s SER 38 Cb -0.14 0.21 0.15 0.00 -1.71 0.00 0.00 66.02 64.53 2k4x s SER 38 CO 0.08 -0.32 0.25 0.00 1.20 0.00 0.00 173.24 174.46 2k4x n GLY 40 N 3.69 2.81 1.62 0.00 0.00 -1.26 -1.52 105.19 110.53 2k4x n GLY 40 Ca 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2k4x n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k4x n ARG 41 N 6.69 0.00 -0.00 1.61 5.12 -1.26 -4.93 116.66 123.88 2k4x n ARG 41 Ca 0.50 0.00 0.02 0.00 -1.93 0.00 0.00 57.85 56.43 2k4x n ARG 41 Cb 0.38 0.00 -0.03 0.00 -1.16 0.00 0.00 32.46 31.66 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 1.63 1.04 3.59 0.00 0.00 -0.57 -5.03 105.19 105.86 2k4x n GLY 43 Ca 0.00 -0.48 -0.43 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.00 2.65 0.01 1.61 6.14 -1.23 -4.89 117.35 119.65 2k4x s TYR 44 Ca 0.00 0.62 -0.00 0.00 0.64 0.00 0.00 57.07 58.33 2k4x s TYR 44 Cb 0.00 -4.44 -0.01 0.00 0.42 0.00 0.00 41.96 37.93 2k4x s TYR 44 CO 0.00 -1.52 -0.01 0.99 0.64 0.00 0.00 175.55 175.65 2k4x s THR 45 N 4.86 0.07 -0.19 4.34 2.01 -1.26 -0.63 115.64 124.84 2k4x s THR 45 Ca 0.49 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.65 2k4x s THR 45 Cb -0.08 -0.18 0.08 0.00 0.01 0.00 0.00 72.50 72.33 2k4x s THR 45 CO 0.30 -0.32 0.78 -0.70 -0.69 0.00 0.00 174.62 174.00 2k4x s GLU 46 N -0.93 0.83 0.73 4.92 2.56 -0.63 -4.99 118.70 121.19 2k4x s GLU 46 Ca -0.10 0.63 -0.14 0.00 0.00 0.00 0.00 54.97 55.36 2k4x s GLU 46 Cb -0.06 0.40 0.04 0.00 2.00 0.00 0.00 34.13 36.50 2k4x s GLU 46 CO -0.01 -0.17 1.15 -0.06 -0.56 0.00 0.00 175.26 175.61 2k4x s PHE 47 N -0.27 2.28 -1.19 5.30 0.08 -1.26 0.11 117.98 123.02 2k4x s PHE 47 Ca -0.03 1.60 -0.23 0.00 0.12 0.00 0.00 56.93 58.39 2k4x s PHE 47 Cb -0.03 -3.30 -0.09 0.00 -0.57 0.00 0.00 43.02 39.04 2k4x s PHE 47 CO 0.03 -2.19 1.93 0.15 -0.10 0.00 0.00 175.22 175.04 2k4x s LYS 48 N -4.17 2.49 -0.41 0.44 -0.14 -0.82 -4.62 119.74 112.50 2k4x s LYS 48 Ca 0.69 -1.19 0.08 0.00 -1.36 0.00 0.00 55.97 54.19 2k4x s LYS 48 Cb -0.24 -5.25 0.25 0.00 -1.68 0.00 0.00 37.83 30.92 2k4x s LYS 48 CO 0.46 -4.01 0.62 1.17 -0.76 0.00 0.00 175.35 172.84 2k4x n LYS 49 N 8.27 0.74 -0.02 1.68 4.81 -1.26 -4.94 118.16 127.44 2k4x n LYS 49 Ca 0.45 -2.89 0.13 0.00 -0.87 0.00 0.00 58.31 55.13 2k4x n LYS 49 Cb 0.47 -1.29 0.57 0.00 0.02 0.00 0.00 35.03 34.80 2k4x n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2k4x n ALA 50 N 1.39 2.59 -1.67 3.14 0.00 -1.26 -4.88 120.51 119.81 2k4x n ALA 50 Ca 0.18 -0.37 -0.48 0.00 0.00 0.00 0.00 53.44 52.78 2k4x n ALA 50 Cb 0.56 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 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 -0.16 2.08 -2.42 0.00 5.02 -1.26 -2.09 118.16 119.33 2k4x n LYS 51 Ca 0.18 0.76 -0.03 0.00 -2.02 0.00 0.00 58.31 57.20 2k4x n LYS 51 Cb 0.25 -2.55 0.01 0.00 -0.02 0.00 0.00 35.03 32.73 2k4x n LYS 51 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2k4x n LYS 52 N 4.93 -0.94 0.02 1.97 4.81 -1.26 -5.02 118.16 122.68 2k4x n LYS 52 Ca 0.20 0.85 -0.01 0.00 -0.87 0.00 0.00 58.31 58.48 2k4x n LYS 52 Cb 0.28 -3.93 -0.00 0.00 0.02 0.00 0.00 35.03 31.39 2k4x n LYS 52 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2k4x h SER 53 N -0.06 -0.06 -4.02 3.14 0.02 -1.73 -3.50 113.55 107.34 2k4x h SER 53 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2k4x h SER 53 Cb 1.07 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2k4x h SER 53 CO 0.20 -0.03 -0.71 1.17 -1.14 0.00 0.00 176.83 176.32 2k4x n LYS 54 N -2.25 -3.44 0.00 3.45 4.81 -1.26 -5.15 118.16 114.31 2k4x n LYS 54 Ca -0.01 2.59 0.00 0.00 -0.87 0.00 0.00 58.31 60.02 2k4x n LYS 54 Cb 0.03 -2.98 0.00 0.00 0.02 0.00 0.00 35.03 32.09 2k4x n LYS 54 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00