#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s24 s TYR 2 N 0.00 3.38 0.97 0.00 2.02 -1.26 -5.10 117.35 117.36 1s24 s TYR 2 Ca 0.00 0.34 -0.16 0.00 -0.37 0.00 0.00 57.07 56.89 1s24 s TYR 2 Cb 0.00 -1.90 0.21 0.00 -0.40 0.00 0.00 41.96 39.88 1s24 s TYR 2 CO 0.00 0.56 1.33 -0.51 -1.57 0.00 0.00 175.55 175.36 1s24 s LEU 3 N -0.81 2.76 -0.09 -1.29 1.02 -1.26 -4.83 118.68 114.17 1s24 s LEU 3 Ca 0.13 0.16 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 1s24 s LEU 3 Cb -0.12 -2.15 0.03 0.00 0.02 0.00 0.00 46.19 43.97 1s24 s LEU 3 CO 0.03 -2.81 0.24 -0.54 0.02 0.00 0.00 176.35 173.29 1s24 s LYS 4 N -5.90 0.27 0.45 1.70 1.02 -1.26 -2.48 119.74 113.55 1s24 s LYS 4 Ca 0.75 0.36 0.01 0.00 0.02 0.00 0.00 55.97 57.11 1s24 s LYS 4 Cb -0.03 0.11 0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1s24 s LYS 4 CO 0.53 -0.05 0.06 0.91 -0.92 0.00 0.00 175.35 175.88 1s24 n TRP 5 N 3.10 0.73 -3.60 3.18 7.02 -0.29 -1.46 117.44 126.13 1s24 n TRP 5 Ca -0.14 -2.15 -0.04 0.00 -1.02 0.00 0.00 57.50 54.15 1s24 n TRP 5 Cb 0.58 -0.31 -0.06 0.00 -2.42 0.00 0.00 31.31 29.10 1s24 n TRP 5 CO 0.00 0.00 0.00 -1.50 -2.02 0.00 0.00 177.69 174.17 1s24 s ILE 6 N -2.56 -0.85 -0.77 -0.99 -1.16 0.13 0.57 121.20 115.57 1s24 s ILE 6 Ca 0.05 0.06 -0.26 0.00 -0.51 0.00 0.00 60.65 59.99 1s24 s ILE 6 Cb -0.00 -0.86 -0.09 0.00 0.61 0.00 0.00 42.46 42.11 1s24 s ILE 6 CO 0.03 0.02 2.22 0.00 -2.81 0.00 0.00 174.94 174.40 1s24 h ILE 8 N 7.49 0.22 0.00 0.00 3.07 -1.11 1.22 117.51 128.40 1s24 h ILE 8 Ca -0.02 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 66.26 1s24 h ILE 8 Cb 1.05 0.58 -0.02 0.00 -0.27 0.00 0.00 36.82 38.17 1s24 h ILE 8 CO 1.11 0.00 -0.59 0.74 -1.05 0.00 0.00 178.15 178.36 1s24 h THR 9 N 0.00 1.37 0.00 0.16 2.02 -1.85 -3.38 112.91 111.22 1s24 h THR 9 Ca 0.15 -2.05 -0.13 0.00 0.77 0.00 0.00 66.41 65.14 1s24 h THR 9 Cb 1.11 2.12 -0.02 0.00 -1.74 0.00 0.00 68.15 69.62 1s24 h THR 9 CO -0.00 0.58 -1.44 0.00 0.37 0.00 0.00 175.52 175.02 1s24 n GLY 11 N 2.56 1.29 3.76 0.00 0.00 0.36 -5.03 105.19 108.13 1s24 n GLY 11 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 1s24 n GLY 11 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1s24 s HIS 12 N -2.00 3.60 -0.21 1.61 2.46 -1.26 -4.84 115.29 114.66 1s24 s HIS 12 Ca 0.00 0.94 -0.17 0.00 0.47 0.00 0.00 55.06 56.30 1s24 s HIS 12 Cb 0.00 -2.46 -0.04 0.00 -0.13 0.00 0.00 32.58 29.96 1s24 s HIS 12 CO 0.00 0.36 0.45 0.42 -2.47 0.00 0.00 174.74 173.50 1s24 s ILE 13 N -0.06 5.15 -0.02 0.89 1.01 -1.26 -1.25 121.20 125.65 1s24 s ILE 13 Ca 0.25 0.81 -0.25 0.00 0.00 0.00 0.00 60.65 61.46 1s24 s ILE 13 Cb -0.16 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.49 1s24 s ILE 13 CO 0.12 0.21 0.78 -0.47 0.00 0.00 0.00 174.94 175.58 1s24 s TYR 14 N 1.51 3.63 -0.33 3.97 5.04 0.19 -4.87 117.35 126.50 1s24 s TYR 14 Ca 0.21 1.41 -0.07 0.00 -2.44 0.00 0.00 57.07 56.18 1s24 s TYR 14 Cb -0.15 -2.89 0.03 0.00 0.35 0.00 0.00 41.96 39.30 1s24 s TYR 14 CO 0.09 0.11 0.11 0.34 -1.34 0.00 0.00 175.55 174.85 1s24 s ASP 15 N 0.65 5.30 0.61 4.32 -1.08 -1.26 -1.14 116.67 124.08 1s24 s ASP 15 Ca 0.41 -0.96 0.28 0.00 -0.52 0.00 0.00 52.55 51.76 1s24 s ASP 15 Cb -0.19 -1.89 1.46 0.00 -1.46 0.00 0.00 42.92 40.84 1s24 s ASP 15 CO 0.22 -0.28 1.86 -0.33 0.52 0.00 0.00 175.17 177.15 1s24 h GLU 16 N 8.25 0.00 -0.50 4.34 3.07 -1.68 0.95 114.58 129.00 1s24 h GLU 16 Ca -0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 1s24 h GLU 16 Cb 1.10 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.01 1s24 h GLU 16 CO 0.61 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.22 1s24 n ALA 17 N -2.18 2.69 -2.67 3.43 0.00 -1.26 -2.04 120.51 118.48 1s24 n ALA 17 Ca 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 53.44 52.79 1s24 n ALA 17 Cb 0.62 -1.00 0.10 0.00 0.00 0.00 0.00 19.45 19.16 1s24 n ALA 17 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1s24 n LEU 18 N 0.39 -1.27 0.00 0.00 7.94 0.32 -4.64 117.00 119.74 1s24 n LEU 18 Ca 0.11 -1.85 0.00 0.00 -1.11 0.00 0.00 56.01 53.16 1s24 n LEU 18 Cb 0.42 0.80 0.00 0.00 0.53 0.00 0.00 43.42 45.17 1s24 n LEU 18 CO 0.10 1.59 0.00 0.61 -1.11 0.00 0.00 177.39 178.58 1s24 n GLY 19 N 0.94 -1.19 3.81 -3.96 0.00 -1.00 -4.32 105.19 99.47 1s24 n GLY 19 Ca -0.02 -0.79 -0.36 0.00 0.00 0.00 0.00 46.02 44.85 1s24 n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s24 s ASP 20 N -1.48 7.09 0.11 1.61 -1.08 -1.26 -4.94 116.67 116.72 1s24 s ASP 20 Ca 0.00 1.48 0.20 0.00 -0.52 0.00 0.00 52.55 53.70 1s24 s ASP 20 Cb 0.00 -2.44 -0.09 0.00 -1.46 0.00 0.00 42.92 38.92 1s24 s ASP 20 CO 0.00 0.02 0.87 -0.62 0.52 0.00 0.00 175.17 175.96 1s24 n GLU 21 N 0.69 0.62 0.05 4.34 -0.58 -1.26 -1.88 120.64 122.63 1s24 n GLU 21 Ca -0.02 0.14 -0.23 0.00 -0.42 0.00 0.00 57.16 56.64 1s24 n GLU 21 Cb 0.51 -1.79 -0.15 0.00 -0.57 0.00 0.00 31.44 29.44 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s24 h ALA 22 N 1.71 0.23 -0.15 0.62 0.00 -1.99 -3.34 119.26 116.34 1s24 h ALA 22 Ca -0.09 -1.21 -0.07 0.00 0.00 0.00 0.00 54.91 53.53 1s24 h ALA 22 Cb 1.31 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1s24 h ALA 22 CO 0.02 1.11 -0.22 1.49 0.00 0.00 0.00 179.25 181.65 1s24 h GLU 23 N 0.10 0.26 0.00 0.00 4.22 -1.99 -3.46 114.58 113.70 1s24 h GLU 23 Ca -0.37 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 58.99 1s24 h GLU 23 Cb 2.08 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.31 1s24 h GLU 23 CO 0.15 0.47 0.00 0.41 -2.18 0.00 0.00 179.01 177.87 1s24 n GLY 24 N -0.63 1.95 3.57 1.92 0.00 -1.24 -5.02 105.19 105.75 1s24 n GLY 24 Ca -0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1s24 n GLY 24 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s24 s PHE 25 N -2.00 2.22 0.55 1.61 0.40 -0.79 -4.95 117.98 115.03 1s24 s PHE 25 Ca 0.00 -0.23 -0.19 0.00 -0.60 0.00 0.00 56.93 55.91 1s24 s PHE 25 Cb 0.00 -4.29 -0.09 0.00 0.51 0.00 0.00 43.02 39.15 1s24 s PHE 25 CO 0.00 -1.53 0.58 -2.37 0.70 0.00 0.00 175.22 172.60 1s24 n THR 26 N 7.33 2.35 -1.54 0.64 5.66 -1.26 -4.20 114.28 123.25 1s24 n THR 26 Ca 0.44 -0.50 -0.46 0.00 -3.05 0.00 0.00 64.05 60.48 1s24 n THR 26 Cb 0.47 -0.73 -0.05 0.00 -1.55 0.00 0.00 70.33 68.47 1s24 n THR 26 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1s24 n PRO 27 N -0.06 1.65 0.00 1.09 -0.04 -1.26 -2.16 135.00 134.21 1s24 n PRO 27 Ca 0.12 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.04 1s24 n PRO 27 Cb 0.46 -2.90 0.00 0.00 -0.04 0.00 0.00 33.50 31.02 1s24 n PRO 27 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s24 n GLY 28 N 5.97 1.90 3.75 0.55 0.00 -0.93 -5.01 105.19 111.41 1s24 n GLY 28 Ca 0.34 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.96 1s24 n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s24 s THR 29 N -2.00 4.86 0.03 2.61 2.01 -0.86 -4.98 115.64 117.31 1s24 s THR 29 Ca 0.00 1.45 0.07 0.00 0.31 0.00 0.00 61.69 63.52 1s24 s THR 29 Cb 0.00 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 68.44 1s24 s THR 29 CO 0.00 0.36 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.98 1s24 s ARG 30 N 0.07 2.11 0.60 4.92 0.52 -1.26 -4.36 118.95 121.55 1s24 s ARG 30 Ca 0.36 -0.96 0.28 0.00 -0.52 0.00 0.00 55.73 54.89 1s24 s ARG 30 Cb -0.19 -2.20 1.35 0.00 0.52 0.00 0.00 34.95 34.43 1s24 s ARG 30 CO 0.20 0.55 1.76 0.35 0.02 0.00 0.00 175.30 178.17 1s24 h PHE 31 N 4.63 0.00 -0.11 -0.53 3.04 -1.97 0.26 116.94 122.26 1s24 h PHE 31 Ca -0.47 0.00 0.03 0.00 3.98 0.00 0.00 57.97 61.51 1s24 h PHE 31 Cb 1.15 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.66 1s24 h PHE 31 CO 0.53 0.00 0.15 1.49 -2.02 0.00 0.00 178.31 178.46 1s24 h GLU 32 N 0.00 0.00 -0.21 1.11 4.81 -2.02 -0.75 114.58 117.52 1s24 h GLU 32 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1s24 h GLU 32 Cb 1.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.91 1s24 h GLU 32 CO -0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1s24 n ASP 33 N -3.64 2.68 0.05 1.04 8.00 0.92 -4.64 116.55 120.96 1s24 n ASP 33 Ca -0.00 -2.13 -0.21 0.00 0.71 0.00 0.00 54.79 53.16 1s24 n ASP 33 Cb 0.26 -0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.02 1s24 n ASP 33 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 1s24 h ILE 34 N 1.26 1.41 -0.33 0.53 2.04 -1.09 -3.44 117.51 117.89 1s24 h ILE 34 Ca 0.00 -2.52 -0.36 0.00 1.00 0.00 0.00 64.86 62.98 1s24 h ILE 34 Cb 0.73 3.10 -0.07 0.00 -0.74 0.00 0.00 36.82 39.84 1s24 h ILE 34 CO 0.02 0.72 1.52 -2.65 0.00 0.00 0.00 178.15 177.76 1s24 n PRO 35 N -4.07 0.28 0.00 2.37 -0.02 -1.25 -3.51 135.00 128.80 1s24 n PRO 35 Ca -0.16 -0.15 0.00 0.00 -2.02 0.00 0.00 63.50 61.16 1s24 n PRO 35 Cb 0.85 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1s24 n PRO 35 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1s24 n ASP 36 N 11.25 0.00 -1.04 2.55 -0.08 -1.26 -5.00 116.55 122.97 1s24 n ASP 36 Ca 0.58 0.00 -0.02 0.00 -1.51 0.00 0.00 54.79 53.84 1s24 n ASP 36 Cb 0.23 0.07 -0.01 0.00 2.34 0.00 0.00 41.12 43.75 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1s24 n ASP 37 N -1.60 -0.47 -4.78 1.67 2.03 -1.23 -5.15 116.55 107.01 1s24 n ASP 37 Ca 0.00 -1.02 -0.24 0.00 0.52 0.00 0.00 54.79 54.06 1s24 n ASP 37 Cb 0.00 0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 40.51 1s24 n ASP 37 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 1s24 s TRP 38 N 0.01 2.61 0.00 -0.67 -0.00 -1.26 -5.13 118.94 114.50 1s24 s TRP 38 Ca 0.01 -0.57 0.00 0.00 -0.00 0.00 0.00 56.10 55.54 1s24 s TRP 38 Cb 0.05 -2.01 0.00 0.00 -0.00 0.00 0.00 33.47 31.51 1s24 s TRP 38 CO -0.01 0.09 0.00 0.00 -0.00 0.00 0.00 176.95 177.03 1s24 h PRO 41 N -0.01 1.14 -0.64 0.00 0.11 -2.02 -3.37 132.00 127.21 1s24 h PRO 41 Ca -0.43 -0.21 -0.31 0.00 0.11 0.00 0.00 66.00 65.16 1s24 h PRO 41 Cb 1.29 -0.18 -0.30 0.00 0.11 0.00 0.00 31.00 31.92 1s24 h PRO 41 CO 0.54 0.93 -0.86 -3.47 -0.21 0.00 0.00 178.00 174.93 1s24 n ASP 42 N -4.31 0.04 0.00 -2.05 -0.08 -1.26 -4.93 116.55 103.96 1s24 n ASP 42 Ca 0.06 -2.66 0.00 0.00 -1.51 0.00 0.00 54.79 50.68 1s24 n ASP 42 Cb 0.19 0.12 0.00 0.00 2.34 0.00 0.00 41.12 43.77 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1s24 n GLY 44 N 1.79 0.33 3.80 0.00 0.00 -1.26 -4.97 105.19 104.88 1s24 n GLY 44 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.12 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 s ALA 45 N -2.40 3.73 0.42 4.61 0.00 -1.26 -4.94 121.76 121.92 1s24 s ALA 45 Ca 0.03 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.16 1s24 s ALA 45 Cb -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 23.12 22.23 1s24 s ALA 45 CO 0.03 -0.05 0.00 0.25 0.00 0.00 0.00 175.76 175.99 1s24 n THR 46 N -1.31 0.00 0.22 0.00 -2.24 -1.26 -4.23 114.28 105.45 1s24 n THR 46 Ca -0.01 0.00 0.13 0.00 -2.27 0.00 0.00 64.05 61.90 1s24 n THR 46 Cb 0.61 -1.42 0.65 0.00 -2.10 0.00 0.00 70.33 68.07 1s24 n THR 46 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1s24 h LYS 47 N 0.00 0.00 -0.97 -0.78 3.64 -1.96 -2.72 116.57 113.78 1s24 h LYS 47 Ca 0.00 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 59.55 1s24 h LYS 47 Cb 0.00 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.72 1s24 h LYS 47 CO 0.00 0.00 0.57 1.05 -2.27 0.00 0.00 179.45 178.80 1s24 h GLU 48 N 0.00 0.73 0.00 1.90 4.11 -2.03 0.34 114.58 119.63 1s24 h GLU 48 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1s24 h GLU 48 Cb 0.06 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.15 1s24 h GLU 48 CO 0.00 0.48 -0.05 -0.44 0.07 0.00 0.00 179.01 179.07 1s24 h ASP 49 N 0.75 0.00 -3.54 3.06 5.19 -1.84 -3.44 116.42 116.61 1s24 h ASP 49 Ca 0.54 -0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 56.34 1s24 h ASP 49 Cb 0.79 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.18 1s24 h ASP 49 CO -0.37 0.00 -0.24 -0.31 -3.12 0.00 0.00 179.24 175.21 1s24 s TYR 50 N -3.18 3.34 0.09 4.55 2.02 0.12 -0.48 117.35 123.81 1s24 s TYR 50 Ca 0.08 0.53 0.09 0.00 -0.37 0.00 0.00 57.07 57.40 1s24 s TYR 50 Cb 0.07 -2.51 -0.04 0.00 -0.40 0.00 0.00 41.96 39.09 1s24 s TYR 50 CO 0.65 -0.05 -0.20 0.08 -1.57 0.00 0.00 175.55 174.46 1s24 s VAL 51 N 1.44 2.66 -0.13 0.71 1.01 -0.57 -4.86 120.40 120.66 1s24 s VAL 51 Ca 0.17 -1.44 -0.29 0.00 0.00 0.00 0.00 61.98 60.42 1s24 s VAL 51 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1s24 s VAL 51 CO 0.08 0.19 1.66 -0.22 0.00 0.00 0.00 175.10 176.82 1s24 s LEU 52 N -1.83 4.10 0.37 3.92 0.20 -1.26 0.17 118.68 124.35 1s24 s LEU 52 Ca 0.16 1.97 -0.27 0.00 0.69 0.00 0.00 54.13 56.67 1s24 s LEU 52 Cb -0.10 -3.53 -0.09 0.00 -0.43 0.00 0.00 46.19 42.03 1s24 s LEU 52 CO 0.07 -1.11 1.26 -0.47 -0.29 0.00 0.00 176.35 175.81 1s24 s TYR 53 N 4.72 3.00 -0.30 5.38 6.14 -0.53 -4.87 117.35 130.90 1s24 s TYR 53 Ca 0.74 1.46 -0.16 0.00 0.64 0.00 0.00 57.07 59.75 1s24 s TYR 53 Cb -0.30 -3.59 0.17 0.00 0.42 0.00 0.00 41.96 38.67 1s24 s TYR 53 CO 0.30 -1.74 1.08 -2.00 0.64 0.00 0.00 175.55 173.83 1s24 s GLU 54 N -2.05 0.24 -0.38 4.97 2.12 -1.26 -4.84 118.70 117.50 1s24 s GLU 54 Ca 0.53 0.47 0.12 0.00 0.36 0.00 0.00 54.97 56.45 1s24 s GLU 54 Cb -0.37 0.14 0.40 0.00 0.26 0.00 0.00 34.13 34.56 1s24 s GLU 54 CO 0.47 -0.06 1.13 0.39 -0.54 0.00 0.00 175.26 176.65 1s24 n GLU 55 N 3.92 1.13 0.00 4.30 -0.58 -1.26 -5.26 120.64 122.89 1s24 n GLU 55 Ca -0.15 -2.45 0.00 0.00 -0.42 0.00 0.00 57.16 54.14 1s24 n GLU 55 Cb 0.56 -0.75 0.00 0.00 -0.57 0.00 0.00 31.44 30.68 1s24 n GLU 55 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01