#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 3.14 0.43 0.00 2.02 -1.26 -5.08 117.35 116.59 1s24 s TYR 2 Ca 0.00 0.15 0.07 0.00 -0.37 0.00 0.00 57.07 56.93 1s24 s TYR 2 Cb 0.00 -1.74 -0.03 0.00 -0.40 0.00 0.00 41.96 39.79 1s24 s TYR 2 CO 0.00 0.47 0.31 -0.51 -1.57 0.00 0.00 175.55 174.25 1s24 s LEU 3 N -1.21 3.24 -0.11 -1.29 1.02 -1.26 -4.95 118.68 114.12 1s24 s LEU 3 Ca 0.16 -0.90 0.01 0.00 0.02 0.00 0.00 54.13 53.42 1s24 s LEU 3 Cb -0.11 -1.77 0.02 0.00 0.02 0.00 0.00 46.19 44.35 1s24 s LEU 3 CO 0.06 -0.65 -0.12 -0.54 0.02 0.00 0.00 176.35 175.12 1s24 s LYS 4 N -4.06 1.89 0.46 1.70 3.01 -1.26 -2.50 119.74 118.97 1s24 s LYS 4 Ca 0.45 -0.43 0.08 0.00 -1.01 0.00 0.00 55.97 55.06 1s24 s LYS 4 Cb -0.01 -1.71 0.03 0.00 -1.01 0.00 0.00 37.83 35.13 1s24 s LYS 4 CO 0.25 -0.13 0.60 -1.58 0.51 0.00 0.00 175.35 175.01 1s24 s TRP 5 N 1.21 2.41 -0.12 3.18 0.52 -0.17 0.10 118.94 126.07 1s24 s TRP 5 Ca -0.03 -0.50 -0.06 0.00 0.02 0.00 0.00 56.10 55.53 1s24 s TRP 5 Cb -0.14 -2.30 0.05 0.00 -1.15 0.00 0.00 33.47 29.93 1s24 s TRP 5 CO -0.04 -0.58 0.27 -1.50 0.02 0.00 0.00 176.95 175.13 1s24 s ILE 6 N -2.45 -0.18 -0.97 2.03 1.10 0.29 0.17 121.20 121.19 1s24 s ILE 6 Ca 0.56 0.19 -0.24 0.00 -0.51 0.00 0.00 60.65 60.64 1s24 s ILE 6 Cb -0.08 -0.43 -0.02 0.00 0.15 0.00 0.00 42.46 42.08 1s24 s ILE 6 CO 0.34 0.08 1.79 0.00 -2.11 0.00 0.00 174.94 175.03 1s24 h ILE 8 N 7.01 0.28 0.00 0.00 3.07 -1.29 1.47 117.51 128.05 1s24 h ILE 8 Ca 0.15 0.00 -0.14 0.00 1.55 0.00 0.00 64.86 66.41 1s24 h ILE 8 Cb 1.00 0.49 -0.02 0.00 -0.27 0.00 0.00 36.82 38.02 1s24 h ILE 8 CO 1.29 0.00 -0.68 0.74 -1.05 0.00 0.00 178.15 178.44 1s24 h THR 9 N 0.00 1.36 0.00 0.16 2.02 -1.86 -3.39 112.91 111.19 1s24 h THR 9 Ca 0.28 -2.43 -0.10 0.00 0.77 0.00 0.00 66.41 64.93 1s24 h THR 9 Cb 1.57 2.36 -0.01 0.00 -1.74 0.00 0.00 68.15 70.32 1s24 h THR 9 CO -0.00 0.67 -1.04 0.00 0.37 0.00 0.00 175.52 175.51 1s24 n GLY 11 N 2.52 1.74 3.71 0.00 0.00 0.42 -5.02 105.19 108.57 1s24 n GLY 11 Ca -0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 1s24 n GLY 11 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1s24 s HIS 12 N -2.00 3.31 -0.14 1.61 3.76 -1.26 -4.85 115.29 115.72 1s24 s HIS 12 Ca 0.00 0.23 -0.16 0.00 -0.15 0.00 0.00 55.06 54.98 1s24 s HIS 12 Cb 0.00 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.71 1s24 s HIS 12 CO 0.00 0.42 0.39 0.42 -0.85 0.00 0.00 174.74 175.11 1s24 s ILE 13 N -0.44 5.25 -0.15 0.60 1.01 -1.26 -1.29 121.20 124.92 1s24 s ILE 13 Ca 0.10 0.76 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 1s24 s ILE 13 Cb -0.12 -3.73 -0.05 0.00 0.01 0.00 0.00 42.46 38.58 1s24 s ILE 13 CO 0.02 0.36 0.23 -0.47 0.00 0.00 0.00 174.94 175.08 1s24 s TYR 14 N 0.55 3.50 -0.31 3.97 5.04 0.13 -4.90 117.35 125.33 1s24 s TYR 14 Ca 0.21 0.55 -0.04 0.00 -2.44 0.00 0.00 57.07 55.35 1s24 s TYR 14 Cb -0.14 -2.21 0.04 0.00 0.35 0.00 0.00 41.96 40.00 1s24 s TYR 14 CO 0.07 0.40 0.05 -0.51 -1.34 0.00 0.00 175.55 174.22 1s24 s ASP 15 N -0.03 5.05 0.62 4.32 1.01 -1.26 -1.00 116.67 125.38 1s24 s ASP 15 Ca 0.15 -1.10 0.27 0.00 0.71 0.00 0.00 52.55 52.58 1s24 s ASP 15 Cb -0.13 -1.80 1.36 0.00 1.01 0.00 0.00 42.92 43.37 1s24 s ASP 15 CO 0.03 -0.27 1.78 -0.33 0.21 0.00 0.00 175.17 176.59 1s24 h GLU 16 N 8.13 0.00 -0.11 8.23 5.08 -1.65 0.63 114.58 134.88 1s24 h GLU 16 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1s24 h GLU 16 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1s24 h GLU 16 CO 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.59 1s24 n ALA 17 N -2.11 2.51 -2.67 3.43 0.00 -1.26 -1.29 120.51 119.12 1s24 n ALA 17 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 53.44 53.20 1s24 n ALA 17 Cb 0.68 -1.07 0.08 0.00 0.00 0.00 0.00 19.45 19.14 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 -0.19 -1.31 0.00 0.00 -0.00 0.22 -4.18 117.00 111.53 1s24 n LEU 18 Ca 0.08 -1.82 0.00 0.00 -0.00 0.00 0.00 56.01 54.27 1s24 n LEU 18 Cb 0.13 0.61 0.00 0.00 -0.00 0.00 0.00 43.42 44.16 1s24 n LEU 18 CO 0.06 1.59 0.00 0.61 -0.00 0.00 0.00 177.39 179.65 1s24 n GLY 19 N 1.39 -2.11 4.01 -3.96 0.00 -1.13 -4.49 105.19 98.90 1s24 n GLY 19 Ca 0.01 -0.89 -0.18 0.00 0.00 0.00 0.00 46.02 44.95 1s24 n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s24 s ASP 20 N -1.67 5.47 -0.17 1.61 1.01 -1.25 -4.96 116.67 116.70 1s24 s ASP 20 Ca 0.00 -0.56 0.12 0.00 0.71 0.00 0.00 52.55 52.82 1s24 s ASP 20 Cb 0.00 -0.38 -0.19 0.00 1.01 0.00 0.00 42.92 43.36 1s24 s ASP 20 CO 0.00 -0.92 0.02 1.21 0.21 0.00 0.00 175.17 175.68 1s24 n GLU 21 N -1.95 1.20 -0.01 8.23 2.13 -1.26 -2.02 120.64 126.96 1s24 n GLU 21 Ca 0.10 0.01 -0.13 0.00 0.66 0.00 0.00 57.16 57.80 1s24 n GLU 21 Cb 0.60 -1.42 -0.10 0.00 0.27 0.00 0.00 31.44 30.79 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1s24 h ALA 22 N 0.67 -0.02 0.00 4.31 0.00 -1.96 -2.96 119.26 119.30 1s24 h ALA 22 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.19 1s24 h ALA 22 Cb 1.96 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1s24 h ALA 22 CO 0.01 -0.24 0.00 0.93 0.00 0.00 0.00 179.25 179.95 1s24 h GLU 23 N -0.57 0.00 0.00 0.00 4.39 -2.01 -3.44 114.58 112.95 1s24 h GLU 23 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s24 h GLU 23 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1s24 h GLU 23 CO 0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 1s24 n GLY 24 N -1.12 1.03 3.40 -3.84 0.00 -1.12 -5.00 105.19 98.55 1s24 n GLY 24 Ca -0.02 -0.30 -0.43 0.00 0.00 0.00 0.00 46.02 45.26 1s24 n GLY 24 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1s24 n PHE 25 N -2.17 4.50 -1.11 1.61 3.01 -0.85 -4.98 117.46 117.46 1s24 n PHE 25 Ca 0.00 -2.99 -0.34 0.00 1.01 0.00 0.00 57.45 55.13 1s24 n PHE 25 Cb 0.04 -2.47 0.12 0.00 -0.01 0.00 0.00 39.48 37.16 1s24 n PHE 25 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1s24 n THR 26 N 5.58 1.93 -1.56 4.37 5.66 -1.26 -3.88 114.28 125.13 1s24 n THR 26 Ca 0.46 -0.23 -0.49 0.00 -3.05 0.00 0.00 64.05 60.73 1s24 n THR 26 Cb 0.44 -1.11 -0.06 0.00 -1.55 0.00 0.00 70.33 68.05 1s24 n THR 26 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1s24 n PRO 27 N -2.84 1.56 0.00 1.09 -0.02 -1.26 -3.01 135.00 130.52 1s24 n PRO 27 Ca 0.13 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 1s24 n PRO 27 Cb 0.50 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 1s24 n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s24 n GLY 28 N 5.67 1.54 3.20 -1.23 0.00 -1.24 -4.97 105.19 108.16 1s24 n GLY 28 Ca 0.33 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.01 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 2.52 0.10 2.61 2.01 -0.41 -5.01 115.64 115.46 1s24 s THR 29 Ca 0.00 -0.79 0.05 0.00 0.31 0.00 0.00 61.69 61.26 1s24 s THR 29 Cb 0.00 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.39 1s24 s THR 29 CO 0.00 0.51 0.01 0.00 -0.69 0.00 0.00 174.62 174.45 1s24 s ARG 30 N 1.20 2.57 0.29 4.92 1.70 -1.26 -4.19 118.95 124.19 1s24 s ARG 30 Ca 0.02 -0.86 0.04 0.00 -0.47 0.00 0.00 55.73 54.46 1s24 s ARG 30 Cb -0.14 -2.54 0.74 0.00 -0.57 0.00 0.00 34.95 32.44 1s24 s ARG 30 CO -0.07 0.53 1.69 0.74 -1.08 0.00 0.00 175.30 177.11 1s24 h PHE 31 N 3.27 0.63 -0.72 5.89 -1.00 -1.93 0.19 116.94 123.27 1s24 h PHE 31 Ca -0.48 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.35 1s24 h PHE 31 Cb 1.17 -0.13 -0.04 0.00 3.61 0.00 0.00 35.95 40.56 1s24 h PHE 31 CO 0.61 -0.07 0.46 1.49 -1.61 0.00 0.00 178.31 179.19 1s24 h GLU 32 N 0.37 0.96 0.00 1.51 4.57 -2.01 -2.35 114.58 117.63 1s24 h GLU 32 Ca 0.56 -0.07 -0.09 0.00 -1.18 0.00 0.00 59.36 58.58 1s24 h GLU 32 Cb 1.09 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 1s24 h GLU 32 CO -0.55 0.65 -0.45 0.22 -1.18 0.00 0.00 179.01 177.71 1s24 h ASP 33 N 0.98 0.00 -2.32 1.04 3.58 -1.33 -3.43 116.42 114.94 1s24 h ASP 33 Ca 0.26 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 57.13 1s24 h ASP 33 Cb -0.08 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1s24 h ASP 33 CO -0.05 0.45 1.37 -0.63 -2.88 0.00 0.00 179.24 177.49 1s24 s ILE 34 N -3.11 3.23 0.58 2.25 1.01 0.45 -4.95 121.20 120.66 1s24 s ILE 34 Ca 0.03 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 60.82 1s24 s ILE 34 Cb 0.08 -3.29 0.15 0.00 0.01 0.00 0.00 42.46 39.41 1s24 s ILE 34 CO 0.73 -0.17 0.46 -0.81 0.00 0.00 0.00 174.94 175.14 1s24 n PRO 35 N 8.47 -2.38 0.00 2.79 -0.04 -1.26 -4.95 135.00 137.62 1s24 n PRO 35 Ca 0.26 -0.74 0.00 0.00 -0.04 0.00 0.00 63.50 62.98 1s24 n PRO 35 Cb 0.45 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.15 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s24 n ASP 36 N -3.97 0.00 0.00 3.54 5.68 -1.26 -4.29 116.55 116.25 1s24 n ASP 36 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.36 1s24 n ASP 36 Cb 0.26 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.24 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 1s24 n ASP 37 N 0.00 -5.14 -4.77 -1.12 -0.08 -1.26 -4.97 116.55 99.21 1s24 n ASP 37 Ca 0.00 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.06 1s24 n ASP 37 Cb 0.00 -2.71 -0.05 0.00 2.34 0.00 0.00 41.12 40.70 1s24 n ASP 37 CO 0.00 0.00 0.00 0.86 0.12 0.00 0.00 177.20 178.18 1s24 s TRP 38 N -1.27 2.77 0.00 -0.67 -0.00 -1.26 -5.12 118.94 113.40 1s24 s TRP 38 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 56.10 55.75 1s24 s TRP 38 Cb 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 33.47 31.79 1s24 s TRP 38 CO 0.00 0.29 0.00 0.00 -0.00 0.00 0.00 176.95 177.24 1s24 n PRO 41 N 1.55 0.15 0.00 0.00 -0.02 -1.26 -3.22 135.00 132.20 1s24 n PRO 41 Ca -0.10 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 1s24 n PRO 41 Cb 0.51 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1s24 n PRO 41 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1s24 n ASP 42 N -1.36 0.05 0.00 2.55 2.03 -1.26 -4.97 116.55 113.59 1s24 n ASP 42 Ca 0.06 -0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.01 1s24 n ASP 42 Cb 0.15 0.56 0.00 0.00 -0.72 0.00 0.00 41.12 41.11 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1s24 n GLY 44 N 3.56 1.56 3.84 0.00 0.00 -1.20 -4.92 105.19 108.02 1s24 n GLY 44 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.88 4.21 1.00 4.61 0.00 -1.26 -4.82 121.76 123.61 1s24 s ALA 45 Ca 0.00 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 50.80 1s24 s ALA 45 Cb 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1s24 s ALA 45 CO 0.00 -0.28 0.00 0.25 0.00 0.00 0.00 175.76 175.73 1s24 n THR 46 N -1.54 0.00 1.17 0.00 -2.24 -1.26 -3.71 114.28 106.70 1s24 n THR 46 Ca -0.06 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1s24 n THR 46 Cb 0.65 -1.23 0.61 0.00 -2.10 0.00 0.00 70.33 68.26 1s24 n THR 46 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1s24 n LYS 47 N -0.39 0.41 -0.33 -0.78 5.02 -1.26 -3.65 118.16 117.19 1s24 n LYS 47 Ca 0.00 0.06 0.09 0.00 -2.02 0.00 0.00 58.31 56.44 1s24 n LYS 47 Cb 0.00 -1.50 0.27 0.00 -0.02 0.00 0.00 35.03 33.78 1s24 n LYS 47 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1s24 h GLU 48 N 0.00 0.70 0.00 1.97 5.08 -2.02 0.32 114.58 120.63 1s24 h GLU 48 Ca 0.00 -0.04 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1s24 h GLU 48 Cb 0.17 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 1s24 h GLU 48 CO 0.00 0.46 -0.32 -0.44 -1.00 0.00 0.00 179.01 177.71 1s24 h ASP 49 N 0.72 0.00 -3.32 1.42 5.19 -1.92 -3.43 116.42 115.08 1s24 h ASP 49 Ca 0.51 0.00 -0.57 0.00 -0.62 0.00 0.00 57.03 56.36 1s24 h ASP 49 Cb 0.74 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 1s24 h ASP 49 CO -0.36 0.32 -0.02 -0.31 -3.12 0.00 0.00 179.24 175.75 1s24 s TYR 50 N -3.68 3.61 0.16 4.55 2.02 0.11 -0.78 117.35 123.34 1s24 s TYR 50 Ca -0.00 1.13 0.05 0.00 -0.37 0.00 0.00 57.07 57.88 1s24 s TYR 50 Cb 0.11 -2.64 -0.04 0.00 -0.40 0.00 0.00 41.96 38.98 1s24 s TYR 50 CO 0.67 0.23 -0.11 0.08 -1.57 0.00 0.00 175.55 174.85 1s24 s VAL 51 N 0.30 1.31 -0.09 0.71 1.01 -0.61 -4.84 120.40 118.20 1s24 s VAL 51 Ca 0.31 -2.08 -0.29 0.00 0.00 0.00 0.00 61.98 59.93 1s24 s VAL 51 Cb -0.17 -1.87 -0.06 0.00 0.00 0.00 0.00 36.38 34.28 1s24 s VAL 51 CO 0.16 -0.69 1.83 -0.22 0.00 0.00 0.00 175.10 176.17 1s24 s LEU 52 N -3.16 4.13 -0.06 3.92 2.96 -1.26 -0.54 118.68 124.67 1s24 s LEU 52 Ca 0.18 2.18 -0.30 0.00 -0.22 0.00 0.00 54.13 55.97 1s24 s LEU 52 Cb 0.01 -3.53 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1s24 s LEU 52 CO 0.02 -1.19 1.14 -0.47 -1.32 0.00 0.00 176.35 174.53 1s24 s TYR 53 N 5.06 3.30 0.07 5.38 5.04 0.29 -4.85 117.35 131.63 1s24 s TYR 53 Ca 0.82 1.34 -0.03 0.00 -2.44 0.00 0.00 57.07 56.75 1s24 s TYR 53 Cb -0.34 -3.35 -0.03 0.00 0.35 0.00 0.00 41.96 38.59 1s24 s TYR 53 CO 0.34 -0.98 0.05 -1.83 -1.34 0.00 0.00 175.55 171.79 1s24 s GLU 54 N 2.09 0.72 -0.54 4.97 -1.05 -1.26 -4.68 118.70 118.96 1s24 s GLU 54 Ca 0.54 -1.16 0.04 0.00 -0.15 0.00 0.00 54.97 54.23 1s24 s GLU 54 Cb -0.23 0.26 0.13 0.00 -0.44 0.00 0.00 34.13 33.85 1s24 s GLU 54 CO 0.21 -0.18 0.28 -2.00 0.95 0.00 0.00 175.26 174.53 1s24 s GLU 55 N -3.91 2.02 0.00 -4.83 2.56 -1.26 -5.23 118.70 108.05 1s24 s GLU 55 Ca 0.08 -2.69 0.00 0.00 0.00 0.00 0.00 54.97 52.36 1s24 s GLU 55 Cb 0.07 -3.33 0.00 0.00 2.00 0.00 0.00 34.13 32.87 1s24 s GLU 55 CO -0.09 -1.12 0.00 1.63 -0.56 0.00 0.00 175.26 175.11