#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 -3.19 -3.76 0.03 3.00 -1.26 -5.01 117.38 107.19 2k4x n GLN 2 Ca 0.00 2.53 -0.36 0.00 -0.01 0.00 0.00 57.00 59.16 2k4x n GLN 2 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 30.24 26.70 2k4x n GLN 2 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2k4x s LYS 3 N -0.96 4.00 -0.77 -1.09 0.00 -1.26 -5.05 119.74 114.62 2k4x s LYS 3 Ca -0.09 -0.31 -0.15 0.00 0.00 0.00 0.00 55.97 55.42 2k4x s LYS 3 Cb 0.01 -3.43 0.19 0.00 0.00 0.00 0.00 37.83 34.60 2k4x s LYS 3 CO 0.25 0.10 0.75 1.03 0.00 0.00 0.00 175.35 177.47 2k4x s ARG 4 N 0.92 3.47 -0.66 1.78 3.00 -1.26 -4.95 118.95 121.25 2k4x s ARG 4 Ca 0.06 -2.21 0.05 0.00 0.00 0.00 0.00 55.73 53.64 2k4x s ARG 4 Cb -0.13 -4.44 0.20 0.00 0.00 0.00 0.00 34.95 30.58 2k4x s ARG 4 CO 0.03 -1.35 0.58 0.39 0.00 0.00 0.00 175.30 174.95 2k4x n GLU 5 N 4.55 1.96 -3.09 3.54 1.02 -1.26 -5.00 120.64 122.36 2k4x n GLU 5 Ca 0.08 -4.44 -0.45 0.00 -0.02 0.00 0.00 57.16 52.34 2k4x n GLU 5 Cb 0.46 -2.21 -0.01 0.00 -0.02 0.00 0.00 31.44 29.66 2k4x n GLU 5 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k4x s LEU 6 N -1.74 5.59 -0.15 -4.62 1.02 -1.26 -5.02 118.68 112.50 2k4x s LEU 6 Ca 0.31 -2.89 -0.10 0.00 0.02 0.00 0.00 54.13 51.47 2k4x s LEU 6 Cb 0.04 -2.33 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 2k4x s LEU 6 CO -0.11 -0.68 0.19 -0.72 0.02 0.00 0.00 176.35 175.04 2k4x s TYR 7 N 0.95 3.51 0.96 0.29 1.13 -1.26 -5.10 117.35 117.83 2k4x s TYR 7 Ca 0.34 0.50 -0.16 0.00 -1.41 0.00 0.00 57.07 56.34 2k4x s TYR 7 Cb -0.06 -2.13 0.21 0.00 -1.10 0.00 0.00 41.96 38.87 2k4x s TYR 7 CO -0.05 0.45 1.32 -1.83 -2.51 0.00 0.00 175.55 172.93 2k4x s GLU 8 N -0.18 0.58 0.02 -3.49 -1.05 -1.26 -4.87 118.70 108.46 2k4x s GLU 8 Ca 0.13 -0.48 0.00 0.00 -0.15 0.00 0.00 54.97 54.47 2k4x s GLU 8 Cb -0.12 -1.86 -0.02 0.00 -0.44 0.00 0.00 34.13 31.69 2k4x s GLU 8 CO 0.02 -2.44 -0.04 0.96 0.95 0.00 0.00 175.26 174.72 2k4x s ILE 9 N -3.88 0.18 -0.60 1.83 -4.36 -1.26 -5.03 121.20 108.07 2k4x s ILE 9 Ca 0.75 -0.88 -0.01 0.00 -0.26 0.00 0.00 60.65 60.25 2k4x s ILE 9 Cb -0.03 -0.30 0.15 0.00 1.25 0.00 0.00 42.46 43.53 2k4x s ILE 9 CO 0.53 -0.44 0.40 0.00 0.24 0.00 0.00 174.94 175.66 2k4x s ALA 10 N -1.35 3.52 -0.14 2.27 0.00 -1.26 -4.97 121.76 119.83 2k4x s ALA 10 Ca -0.14 -3.28 -0.05 0.00 0.00 0.00 0.00 51.96 48.49 2k4x s ALA 10 Cb -0.09 -2.53 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2k4x s ALA 10 CO -0.01 -2.09 0.02 0.34 0.00 0.00 0.00 175.76 174.03 2k4x s ASP 11 N 0.39 5.33 -0.54 0.00 2.15 -1.26 -5.04 116.67 117.69 2k4x s ASP 11 Ca 0.17 0.07 -0.27 0.00 0.43 0.00 0.00 52.55 52.95 2k4x s ASP 11 Cb -0.22 -1.76 -0.04 0.00 -0.30 0.00 0.00 42.92 40.60 2k4x s ASP 11 CO -0.03 0.25 2.02 -0.83 -0.17 0.00 0.00 175.17 176.42 2k4x s GLY 12 N -0.11 0.08 -0.88 2.66 0.00 -1.26 -4.88 107.32 102.92 2k4x s GLY 12 Ca 0.05 -0.33 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 2k4x s GLY 12 CO 0.02 3.63 2.21 1.25 0.00 0.00 0.00 173.10 180.20 2k4x s LYS 13 N 7.25 1.89 -0.70 2.90 2.20 -1.26 -4.88 119.74 127.14 2k4x s LYS 13 Ca 0.78 0.04 -0.18 0.00 -0.36 0.00 0.00 55.97 56.25 2k4x s LYS 13 Cb -0.15 -4.92 0.13 0.00 -1.51 0.00 0.00 37.83 31.38 2k4x s LYS 13 CO 0.24 -4.22 0.78 -0.51 -0.36 0.00 0.00 175.35 171.27 2k4x s LEU 14 N 13.40 5.67 -0.31 5.43 1.43 -1.26 -4.98 118.68 138.07 2k4x s LEU 14 Ca 0.83 -1.83 -0.01 0.00 -1.03 0.00 0.00 54.13 52.09 2k4x s LEU 14 Cb -0.09 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 43.93 2k4x s LEU 14 CO 0.07 -0.98 0.10 -0.69 0.23 0.00 0.00 176.35 175.07 2k4x s VAL 15 N 2.09 0.85 -0.97 -1.59 1.01 -1.26 -5.07 120.40 115.46 2k4x s VAL 15 Ca 0.16 -1.36 -0.24 0.00 0.00 0.00 0.00 61.98 60.54 2k4x s VAL 15 Cb -0.18 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.54 2k4x s VAL 15 CO 0.00 -0.66 1.82 -0.13 0.00 0.00 0.00 175.10 176.13 2k4x s ARG 16 N 1.63 2.86 0.99 2.72 0.52 -1.26 -4.96 118.95 121.45 2k4x s ARG 16 Ca 0.09 -0.64 -0.11 0.00 -0.52 0.00 0.00 55.73 54.55 2k4x s ARG 16 Cb -0.17 -5.17 0.18 0.00 0.52 0.00 0.00 34.95 30.30 2k4x s ARG 16 CO -0.25 -3.11 1.05 1.17 0.02 0.00 0.00 175.30 174.19 2k4x n LYS 17 N 8.79 -0.96 -3.00 3.54 4.81 -1.26 -3.88 118.16 126.19 2k4x n LYS 17 Ca 0.39 -0.23 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 2k4x n LYS 17 Cb 0.48 -2.29 0.06 0.00 0.02 0.00 0.00 35.03 33.31 2k4x n LYS 17 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2k4x n HIS 18 N -4.41 -1.68 -2.43 5.64 8.25 -1.26 -4.94 115.22 114.39 2k4x n HIS 18 Ca 0.09 0.69 -0.43 0.00 -0.26 0.00 0.00 57.72 57.81 2k4x n HIS 18 Cb 0.53 -4.17 -0.02 0.00 1.12 0.00 0.00 29.99 27.45 2k4x n HIS 18 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 2k4x s ARG 19 N -4.79 3.54 0.95 -0.41 3.00 -1.25 -4.98 118.95 115.01 2k4x s ARG 19 Ca 0.08 0.69 -0.14 0.00 -1.00 0.00 0.00 55.73 55.36 2k4x s ARG 19 Cb -0.01 -4.02 0.17 0.00 0.00 0.00 0.00 34.95 31.09 2k4x s ARG 19 CO 0.54 -1.62 1.19 -0.06 0.00 0.00 0.00 175.30 175.36 2k4x s PHE 20 N 5.33 2.02 -0.28 5.12 0.40 -1.26 -4.30 117.98 125.00 2k4x s PHE 20 Ca 0.55 0.63 -0.22 0.00 -0.60 0.00 0.00 56.93 57.29 2k4x s PHE 20 Cb -0.11 -3.62 -0.01 0.00 0.51 0.00 0.00 43.02 39.79 2k4x s PHE 20 CO 0.30 -2.58 0.72 0.00 0.70 0.00 0.00 175.22 174.36 2k4x n PRO 22 N 5.97 -0.33 0.01 0.00 -0.02 -1.26 0.17 135.00 139.53 2k4x n PRO 22 Ca 0.02 1.32 -0.08 0.00 -2.02 0.00 0.00 63.50 62.74 2k4x n PRO 22 Cb 0.48 -1.94 -0.13 0.00 -0.02 0.00 0.00 33.50 31.89 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 0.00 -0.01 -0.52 3.08 -1.98 -3.30 114.38 111.66 2k4x h ARG 23 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 2k4x h ARG 23 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2k4x h ARG 23 CO -0.83 0.67 -0.30 0.00 -1.07 0.00 0.00 179.97 178.44 2k4x h GLY 25 N 4.95 -1.92 -7.29 0.00 0.00 0.16 0.16 103.07 99.12 2k4x h GLY 25 Ca 0.00 0.99 -0.20 0.00 0.00 0.00 0.00 47.33 48.13 2k4x h GLY 25 CO 0.00 -0.59 0.51 -4.14 0.00 0.00 0.00 176.54 172.33 2k4x s PRO 26 N -4.02 2.17 0.00 4.80 0.02 -1.26 -2.30 135.00 134.41 2k4x s PRO 26 Ca -0.05 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.07 2k4x s PRO 26 Cb 0.04 -4.91 0.00 0.00 0.02 0.00 0.00 34.50 29.65 2k4x s PRO 26 CO 0.25 -3.76 0.00 0.41 -0.33 0.00 0.00 177.00 173.57 2k4x n GLY 27 N 6.76 1.33 2.62 0.52 0.00 -1.22 -5.04 105.19 110.16 2k4x n GLY 27 Ca 0.42 0.00 -0.29 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 -1.17 0.40 0.88 1.61 1.01 0.55 -5.13 120.40 118.55 2k4x s VAL 28 Ca 0.00 -1.16 -0.10 0.00 0.00 0.00 0.00 61.98 60.72 2k4x s VAL 28 Cb 0.00 -1.32 0.12 0.00 0.00 0.00 0.00 36.38 35.19 2k4x s VAL 28 CO 0.00 -0.73 1.12 0.72 0.00 0.00 0.00 175.10 176.21 2k4x s PHE 29 N 1.76 1.97 -0.41 5.22 -0.71 -1.26 -3.76 117.98 120.79 2k4x s PHE 29 Ca 0.10 1.65 -0.19 0.00 -1.04 0.00 0.00 56.93 57.45 2k4x s PHE 29 Cb -0.17 -3.22 0.02 0.00 -1.21 0.00 0.00 43.02 38.43 2k4x s PHE 29 CO -0.28 -2.50 0.56 -1.17 -1.34 0.00 0.00 175.22 170.49 2k4x s LEU 30 N -6.39 4.54 -0.83 -1.99 2.96 -1.26 -4.74 118.68 110.98 2k4x s LEU 30 Ca 0.65 -0.33 -0.21 0.00 -0.22 0.00 0.00 54.13 54.01 2k4x s LEU 30 Cb -0.21 -2.61 -0.20 0.00 0.50 0.00 0.00 46.19 43.67 2k4x s LEU 30 CO 0.58 -0.65 2.37 0.00 -1.32 0.00 0.00 176.35 177.32 2k4x n ALA 31 N 5.97 0.63 -2.50 5.97 0.00 0.13 -4.73 120.51 125.99 2k4x n ALA 31 Ca -0.04 -1.06 -0.42 0.00 0.00 0.00 0.00 53.44 51.92 2k4x n ALA 31 Cb 0.48 -2.92 -0.02 0.00 0.00 0.00 0.00 19.45 16.98 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 8.28 3.50 0.26 0.00 2.12 -1.26 -1.81 118.70 129.79 2k4x s GLU 32 Ca 1.09 0.47 0.06 0.00 0.36 0.00 0.00 54.97 56.95 2k4x s GLU 32 Cb -0.45 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 29.88 2k4x s GLU 32 CO 0.29 -1.68 0.30 -1.01 -0.54 0.00 0.00 175.26 172.62 2k4x s HIS 33 N 5.24 3.23 0.57 5.30 3.76 0.19 -5.00 115.29 128.58 2k4x s HIS 33 Ca 0.49 -0.10 0.26 0.00 -0.15 0.00 0.00 55.06 55.57 2k4x s HIS 33 Cb -0.09 -1.56 1.54 0.00 1.11 0.00 0.00 32.58 33.57 2k4x s HIS 33 CO 0.28 0.41 2.07 0.00 -0.85 0.00 0.00 174.74 176.64 2k4x h ALA 34 N 1.28 2.03 0.00 -1.40 0.00 -2.04 -2.41 119.26 116.72 2k4x h ALA 34 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2k4x h ALA 34 Cb 1.24 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2k4x h ALA 34 CO 0.60 -0.38 -1.07 -0.40 0.00 0.00 0.00 179.25 178.00 2k4x n ASP 35 N -4.02 1.74 -0.97 0.00 5.75 -1.26 -4.94 116.55 112.85 2k4x n ASP 35 Ca 0.04 -0.30 0.00 0.00 -0.01 0.00 0.00 54.79 54.51 2k4x n ASP 35 Cb 0.39 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.77 2k4x n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 2k4x n ARG 36 N -1.61 0.00 -4.26 0.11 1.85 -0.91 -1.86 116.66 109.99 2k4x n ARG 36 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.70 2k4x n ARG 36 Cb 0.23 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 31.54 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 -5.07 1.31 0.17 2.89 1.51 0.24 0.56 117.35 118.97 2k4x s TYR 37 Ca 0.00 -0.76 -0.20 0.00 -1.01 0.00 0.00 57.07 55.11 2k4x s TYR 37 Cb 0.00 -0.67 0.05 0.00 -0.11 0.00 0.00 41.96 41.23 2k4x s TYR 37 CO 0.00 0.09 0.54 0.45 -1.11 0.00 0.00 175.55 175.53 2k4x s SER 38 N -3.19 -0.37 -0.39 2.29 0.15 -0.75 -2.42 113.70 109.03 2k4x s SER 38 Ca 0.18 -0.27 0.01 0.00 0.70 0.00 0.00 55.95 56.56 2k4x s SER 38 Cb 0.02 0.58 0.13 0.00 -1.71 0.00 0.00 66.02 65.05 2k4x s SER 38 CO 0.01 -1.00 0.21 0.00 1.20 0.00 0.00 173.24 173.66 2k4x n GLY 40 N 3.91 0.62 0.31 0.00 0.00 -1.26 -1.29 105.19 107.48 2k4x n GLY 40 Ca 0.09 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.62 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 8.10 0.00 0.00 1.61 3.00 -1.26 -4.95 116.66 123.17 2k4x n ARG 41 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 2k4x n ARG 41 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.92 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 -0.15 0.47 3.61 0.00 0.00 -0.41 -4.96 105.19 103.74 2k4x n GLY 43 Ca 0.00 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.92 2.01 -0.04 1.61 5.04 -1.24 -4.75 117.35 118.05 2k4x s TYR 44 Ca 0.00 0.61 0.05 0.00 -2.44 0.00 0.00 57.07 55.29 2k4x s TYR 44 Cb 0.00 -4.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.17 2k4x s TYR 44 CO 0.00 -2.75 -0.19 0.99 -1.34 0.00 0.00 175.55 172.26 2k4x s THR 45 N 6.12 1.58 0.00 4.34 2.01 -1.26 0.04 115.64 128.48 2k4x s THR 45 Ca 0.74 -0.81 -0.03 0.00 0.31 0.00 0.00 61.69 61.90 2k4x s THR 45 Cb -0.21 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.94 2k4x s THR 45 CO 0.32 0.45 0.04 -0.70 -0.69 0.00 0.00 174.62 174.05 2k4x s GLU 46 N -0.07 0.29 0.19 4.92 2.56 -1.01 -4.98 118.70 120.60 2k4x s GLU 46 Ca -0.02 -0.36 -0.02 0.00 0.00 0.00 0.00 54.97 54.56 2k4x s GLU 46 Cb -0.11 0.12 -0.05 0.00 2.00 0.00 0.00 34.13 36.08 2k4x s GLU 46 CO 0.02 -0.06 0.40 -0.06 -0.56 0.00 0.00 175.26 175.00 2k4x s PHE 47 N -1.03 3.48 -0.86 5.30 0.08 -1.26 0.80 117.98 124.49 2k4x s PHE 47 Ca -0.11 0.44 -0.25 0.00 0.12 0.00 0.00 56.93 57.12 2k4x s PHE 47 Cb -0.07 -1.92 -0.07 0.00 -0.57 0.00 0.00 43.02 40.39 2k4x s PHE 47 CO 0.00 0.38 2.07 0.15 -0.10 0.00 0.00 175.22 177.72 2k4x s LYS 48 N -3.12 2.30 -0.04 0.44 -0.14 -0.78 -4.82 119.74 113.59 2k4x s LYS 48 Ca 0.40 -0.04 -0.30 0.00 -1.36 0.00 0.00 55.97 54.67 2k4x s LYS 48 Cb -0.11 -4.97 -0.07 0.00 -1.68 0.00 0.00 37.83 31.00 2k4x s LYS 48 CO 0.28 -3.65 1.92 0.15 -0.76 0.00 0.00 175.35 173.29 2k4x s LYS 49 N 7.52 3.96 0.09 1.68 1.02 -1.26 -4.92 119.74 127.83 2k4x s LYS 49 Ca 0.76 2.37 -0.31 0.00 0.02 0.00 0.00 55.97 58.81 2k4x s LYS 49 Cb -0.09 -4.15 -0.09 0.00 -0.52 0.00 0.00 37.83 32.98 2k4x s LYS 49 CO 0.02 -1.14 1.80 0.00 -0.92 0.00 0.00 175.35 175.12 2k4x s ALA 50 N 5.04 3.71 -0.86 5.17 0.00 -1.26 -4.91 121.76 128.64 2k4x s ALA 50 Ca 0.86 1.34 -0.25 0.00 0.00 0.00 0.00 51.96 53.91 2k4x s ALA 50 Cb -0.38 -3.76 0.03 0.00 0.00 0.00 0.00 23.12 19.01 2k4x s ALA 50 CO 0.37 -1.27 1.40 0.15 0.00 0.00 0.00 175.76 176.41 2k4x s LYS 51 N 3.09 3.33 -1.22 0.00 -0.14 -1.26 -4.91 119.74 118.63 2k4x s LYS 51 Ca 0.80 -0.60 -0.21 0.00 -1.36 0.00 0.00 55.97 54.60 2k4x s LYS 51 Cb -0.43 -4.74 -0.02 0.00 -1.68 0.00 0.00 37.83 30.96 2k4x s LYS 51 CO 0.36 -2.24 1.85 0.15 -0.76 0.00 0.00 175.35 174.71 2k4x s LYS 52 N 5.49 3.11 0.07 1.68 1.02 -1.26 -4.93 119.74 124.92 2k4x s LYS 52 Ca 0.42 -1.48 -0.08 0.00 0.02 0.00 0.00 55.97 54.85 2k4x s LYS 52 Cb -0.05 -5.36 -0.05 0.00 -0.52 0.00 0.00 37.83 31.85 2k4x s LYS 52 CO 0.04 -3.25 0.36 -1.54 -0.92 0.00 0.00 175.35 170.04 2k4x s SER 53 N 5.59 6.58 0.58 2.83 1.04 -1.26 -4.98 113.70 124.08 2k4x s SER 53 Ca 0.62 0.70 0.31 0.00 0.48 0.00 0.00 55.95 58.07 2k4x s SER 53 Cb 0.01 -2.14 1.78 0.00 0.10 0.00 0.00 66.02 65.77 2k4x s SER 53 CO 0.10 0.18 2.21 0.07 0.98 0.00 0.00 173.24 176.78 2k4x h LYS 54 N 3.70 0.00 0.00 4.02 2.10 -1.98 -3.53 116.57 120.88 2k4x h LYS 54 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 2k4x h LYS 54 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2k4x h LYS 54 CO 0.67 0.04 0.00 0.45 -2.00 0.00 0.00 179.45 178.61