#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s24 n TYR 2 N 0.00 -3.76 -0.88 0.00 4.01 -1.26 -4.69 117.16 110.57 1s24 n TYR 2 Ca 0.00 2.05 -0.28 0.00 -0.16 0.00 0.00 57.90 59.51 1s24 n TYR 2 Cb 0.00 -3.22 0.21 0.00 -0.31 0.00 0.00 39.34 36.02 1s24 n TYR 2 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1s24 s LEU 3 N -5.78 1.24 -0.10 7.72 1.02 -1.26 -4.82 118.68 116.70 1s24 s LEU 3 Ca 0.00 1.34 -0.05 0.00 0.02 0.00 0.00 54.13 55.44 1s24 s LEU 3 Cb 0.00 -3.39 0.05 0.00 0.02 0.00 0.00 46.19 42.86 1s24 s LEU 3 CO 0.00 -3.64 0.22 -0.54 0.02 0.00 0.00 176.35 172.41 1s24 s LYS 4 N -4.73 0.16 0.48 1.70 1.02 -1.26 -2.73 119.74 114.38 1s24 s LYS 4 Ca 0.67 0.52 0.07 0.00 0.02 0.00 0.00 55.97 57.25 1s24 s LYS 4 Cb -0.21 -0.13 0.01 0.00 -0.52 0.00 0.00 37.83 36.97 1s24 s LYS 4 CO 0.61 -0.19 0.43 -1.58 -0.92 0.00 0.00 175.35 173.70 1s24 s TRP 5 N 1.45 2.14 -0.15 3.18 0.52 -0.82 -0.91 118.94 124.35 1s24 s TRP 5 Ca -0.07 -0.66 -0.06 0.00 0.02 0.00 0.00 56.10 55.33 1s24 s TRP 5 Cb -0.11 -2.07 0.07 0.00 -1.15 0.00 0.00 33.47 30.21 1s24 s TRP 5 CO -0.08 -0.37 0.33 -1.50 0.02 0.00 0.00 176.95 175.36 1s24 s ILE 6 N -2.61 -0.36 -0.75 2.03 1.10 -0.47 0.53 121.20 120.67 1s24 s ILE 6 Ca 0.44 0.20 -0.26 0.00 -0.51 0.00 0.00 60.65 60.52 1s24 s ILE 6 Cb -0.03 -0.53 -0.04 0.00 0.15 0.00 0.00 42.46 42.02 1s24 s ILE 6 CO 0.26 0.08 1.93 0.00 -2.11 0.00 0.00 174.94 175.10 1s24 h ILE 8 N 7.10 0.17 -0.56 0.00 3.07 -1.34 0.99 117.51 126.94 1s24 h ILE 8 Ca -0.09 0.00 -0.01 0.00 1.55 0.00 0.00 64.86 66.31 1s24 h ILE 8 Cb 1.09 0.61 -0.03 0.00 -0.27 0.00 0.00 36.82 38.23 1s24 h ILE 8 CO 1.21 0.00 0.31 0.74 -1.05 0.00 0.00 178.15 179.36 1s24 h THR 9 N 0.00 1.18 0.00 0.16 2.02 -1.87 -3.38 112.91 111.03 1s24 h THR 9 Ca 0.10 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 66.84 1s24 h THR 9 Cb 0.97 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 1s24 h THR 9 CO -0.00 0.19 -0.82 0.00 0.37 0.00 0.00 175.52 175.26 1s24 n GLY 11 N 2.67 1.93 3.53 0.00 0.00 0.33 -5.04 105.19 108.61 1s24 n GLY 11 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 3.17 -0.04 1.61 5.65 -1.24 -4.80 115.29 117.64 1s24 s HIS 12 Ca 0.00 -0.06 -0.29 0.00 0.25 0.00 0.00 55.06 54.96 1s24 s HIS 12 Cb 0.00 -2.91 -0.03 0.00 -1.18 0.00 0.00 32.58 28.47 1s24 s HIS 12 CO 0.00 -0.60 0.96 0.42 -0.65 0.00 0.00 174.74 174.86 1s24 s ILE 13 N 2.28 4.87 -0.09 0.89 1.01 -1.26 -1.24 121.20 127.65 1s24 s ILE 13 Ca 0.16 1.99 -0.17 0.00 0.00 0.00 0.00 60.65 62.62 1s24 s ILE 13 Cb -0.16 -4.29 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1s24 s ILE 13 CO 0.14 0.13 0.44 -0.47 0.00 0.00 0.00 174.94 175.18 1s24 s TYR 14 N 1.26 3.56 -0.47 3.97 5.04 0.19 -4.91 117.35 125.99 1s24 s TYR 14 Ca 0.49 0.88 -0.14 0.00 -2.44 0.00 0.00 57.07 55.87 1s24 s TYR 14 Cb -0.20 -2.47 0.08 0.00 0.35 0.00 0.00 41.96 39.72 1s24 s TYR 14 CO 0.24 0.28 0.37 0.34 -1.34 0.00 0.00 175.55 175.45 1s24 s ASP 15 N 0.22 6.02 0.57 4.32 -1.08 -1.26 -1.94 116.67 123.52 1s24 s ASP 15 Ca 0.24 -1.42 0.28 0.00 -0.52 0.00 0.00 52.55 51.14 1s24 s ASP 15 Cb -0.15 -2.14 1.49 0.00 -1.46 0.00 0.00 42.92 40.66 1s24 s ASP 15 CO 0.10 -0.64 1.95 -0.33 0.52 0.00 0.00 175.17 176.77 1s24 h GLU 16 N 8.68 0.00 -0.71 4.34 5.08 -1.71 0.54 114.58 130.79 1s24 h GLU 16 Ca -0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1s24 h GLU 16 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1s24 h GLU 16 CO 0.86 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.87 1s24 n ALA 17 N -2.44 3.23 -2.67 3.43 0.00 -1.26 -0.59 120.51 120.21 1s24 n ALA 17 Ca 0.09 -1.11 -0.04 0.00 0.00 0.00 0.00 53.44 52.37 1s24 n ALA 17 Cb 0.63 -1.06 0.09 0.00 0.00 0.00 0.00 19.45 19.11 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 0.43 -1.30 0.00 0.00 7.94 0.18 -4.23 117.00 120.03 1s24 n LEU 18 Ca 0.17 -1.86 0.00 0.00 -1.11 0.00 0.00 56.01 53.21 1s24 n LEU 18 Cb 0.77 0.73 0.00 0.00 0.53 0.00 0.00 43.42 45.45 1s24 n LEU 18 CO 0.19 1.60 0.00 0.61 -1.11 0.00 0.00 177.39 178.67 1s24 n GLY 19 N 1.11 -2.01 4.00 -3.96 0.00 -1.05 -4.40 105.19 98.87 1s24 n GLY 19 Ca -0.01 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.66 5.06 -0.11 1.61 1.01 -1.25 -4.94 116.67 116.38 1s24 s ASP 20 Ca 0.00 -0.35 0.06 0.00 0.71 0.00 0.00 52.55 52.98 1s24 s ASP 20 Cb 0.00 -0.37 -0.12 0.00 1.01 0.00 0.00 42.92 43.44 1s24 s ASP 20 CO 0.00 -1.31 -0.02 1.21 0.21 0.00 0.00 175.17 175.26 1s24 n GLU 21 N -2.37 1.61 0.50 8.23 2.13 -1.26 -1.79 120.64 127.69 1s24 n GLU 21 Ca 0.11 0.02 -0.20 0.00 0.66 0.00 0.00 57.16 57.76 1s24 n GLU 21 Cb 0.60 -1.27 -0.09 0.00 0.27 0.00 0.00 31.44 30.95 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 0.34 -1.32 0.00 4.31 0.00 -1.97 -2.26 119.26 118.36 1s24 h ALA 22 Ca -0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.34 1s24 h ALA 22 Cb 1.59 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1s24 h ALA 22 CO -0.01 -1.23 0.00 0.93 0.00 0.00 0.00 179.25 178.95 1s24 h GLU 23 N -1.30 0.00 -0.13 0.00 5.08 -2.02 -3.45 114.58 112.76 1s24 h GLU 23 Ca -0.13 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 1s24 h GLU 23 Cb 0.98 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1s24 h GLU 23 CO 0.21 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.63 1s24 n GLY 24 N -1.02 1.23 3.27 -3.84 0.00 -0.85 -4.98 105.19 99.01 1s24 n GLY 24 Ca -0.02 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.78 4.26 -1.43 1.61 3.01 -0.74 -4.97 117.46 117.42 1s24 n PHE 25 Ca 0.00 -2.92 -0.37 0.00 1.01 0.00 0.00 57.45 55.17 1s24 n PHE 25 Cb 0.20 -2.55 0.05 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 5.74 2.41 -1.68 4.37 5.66 -1.26 -3.62 114.28 125.90 1s24 n THR 26 Ca 0.49 -0.47 -0.44 0.00 -3.05 0.00 0.00 64.05 60.58 1s24 n THR 26 Cb 0.43 -0.79 -0.04 0.00 -1.55 0.00 0.00 70.33 68.39 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 -0.48 2.57 0.00 1.09 -0.02 -1.26 -3.19 135.00 133.71 1s24 n PRO 27 Ca 0.12 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.53 1s24 n PRO 27 Cb 0.48 -2.81 0.00 0.00 -0.02 0.00 0.00 33.50 31.15 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 4.21 1.84 3.79 -1.23 0.00 -0.70 -4.88 105.19 108.23 1s24 n GLY 28 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 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 5.18 -0.08 2.61 2.01 0.24 -4.95 115.64 118.66 1s24 s THR 29 Ca 0.00 0.71 0.00 0.00 0.31 0.00 0.00 61.69 62.71 1s24 s THR 29 Cb 0.00 -3.67 -0.03 0.00 0.01 0.00 0.00 72.50 68.81 1s24 s THR 29 CO 0.00 0.49 -0.07 -0.60 -0.69 0.00 0.00 174.62 173.75 1s24 s ARG 30 N -0.40 2.87 0.52 4.92 3.52 -1.26 -4.37 118.95 124.75 1s24 s ARG 30 Ca 0.21 -0.56 0.31 0.00 -0.13 0.00 0.00 55.73 55.56 1s24 s ARG 30 Cb -0.15 -2.62 1.44 0.00 -1.56 0.00 0.00 34.95 32.06 1s24 s ARG 30 CO 0.09 0.59 1.85 0.35 -0.81 0.00 0.00 175.30 177.38 1s24 h PHE 31 N 5.48 0.10 0.48 5.12 3.57 -1.96 -1.08 116.94 128.65 1s24 h PHE 31 Ca -0.46 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1s24 h PHE 31 Cb 1.18 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.89 1s24 h PHE 31 CO 0.56 0.02 -0.23 1.49 -2.23 0.00 0.00 178.31 177.91 1s24 h GLU 32 N 0.07 -0.62 0.00 1.11 4.57 -1.99 -2.55 114.58 115.16 1s24 h GLU 32 Ca 0.48 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.68 1s24 h GLU 32 Cb 1.80 0.14 -0.00 0.00 -0.16 0.00 0.00 28.75 30.53 1s24 h GLU 32 CO -0.05 -0.38 -0.10 -0.44 -1.18 0.00 0.00 179.01 176.86 1s24 h ASP 33 N -0.71 0.00 -2.69 1.04 3.32 -1.64 -3.40 116.42 112.34 1s24 h ASP 33 Ca -0.07 0.00 -0.57 0.00 0.02 0.00 0.00 57.03 56.41 1s24 h ASP 33 Cb 0.53 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.05 1s24 h ASP 33 CO 0.11 0.10 1.22 -0.63 -1.72 0.00 0.00 179.24 178.32 1s24 s ILE 34 N -4.70 3.55 0.00 0.35 1.01 -0.83 -4.98 121.20 115.59 1s24 s ILE 34 Ca -0.04 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.19 1s24 s ILE 34 Cb 0.16 -3.64 0.00 0.00 0.01 0.00 0.00 42.46 38.98 1s24 s ILE 34 CO 0.66 -0.35 0.00 -2.65 0.00 0.00 0.00 174.94 172.60 1s24 n PRO 35 N 8.09 1.85 0.02 2.79 -0.02 -1.26 -4.92 135.00 141.55 1s24 n PRO 35 Ca 0.21 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.81 1s24 n PRO 35 Cb 0.46 0.00 0.11 0.00 -0.02 0.00 0.00 33.50 34.05 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 0.00 0.63 0.12 2.55 2.03 -1.26 -4.27 116.55 116.35 1s24 n ASP 36 Ca 0.00 -0.27 -0.14 0.00 0.52 0.00 0.00 54.79 54.90 1s24 n ASP 36 Cb 0.00 0.53 -0.08 0.00 -0.72 0.00 0.00 41.12 40.86 1s24 n ASP 36 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1s24 h ASP 37 N 0.00 -0.20 -2.86 1.67 5.19 -2.01 -3.43 116.42 114.78 1s24 h ASP 37 Ca 0.00 -0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.95 1s24 h ASP 37 Cb 0.62 0.05 0.22 0.00 0.18 0.00 0.00 39.33 40.41 1s24 h ASP 37 CO 0.00 -0.13 -0.49 1.87 -3.12 0.00 0.00 179.24 177.37 1s24 n TRP 38 N -5.19 -1.30 -2.43 4.55 -0.00 -1.26 -5.02 117.44 106.80 1s24 n TRP 38 Ca -0.09 -0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 1s24 n TRP 38 Cb 0.12 -1.65 0.00 0.00 -0.00 0.00 0.00 31.31 29.78 1s24 n TRP 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1s24 n PRO 41 N 0.86 1.27 -0.39 0.00 -0.04 -1.26 -3.75 135.00 131.69 1s24 n PRO 41 Ca -0.04 -0.42 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 1s24 n PRO 41 Cb 0.51 -1.10 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1s24 n PRO 41 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1s24 n ASP 42 N -0.17 0.00 0.00 3.54 5.75 -1.26 -5.02 116.55 119.39 1s24 n ASP 42 Ca 0.04 -1.31 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 1s24 n ASP 42 Cb 0.10 -0.06 0.00 0.00 -1.03 0.00 0.00 41.12 40.13 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1s24 n GLY 44 N 0.70 1.24 3.69 0.00 0.00 -1.25 -4.99 105.19 104.58 1s24 n GLY 44 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.70 0.00 4.61 0.00 -1.26 -4.90 121.76 122.03 1s24 s ALA 45 Ca 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.97 1s24 s ALA 45 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.28 1s24 s ALA 45 CO 0.00 -0.09 0.00 0.25 0.00 0.00 0.00 175.76 175.92 1s24 n THR 46 N -1.13 0.00 0.28 0.00 -2.24 -1.26 -3.27 114.28 106.66 1s24 n THR 46 Ca -0.14 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.82 1s24 n THR 46 Cb 0.67 -0.96 0.89 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.49 -0.78 3.64 -1.92 0.09 116.57 117.12 1s24 h LYS 47 Ca 0.00 0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.52 1s24 h LYS 47 Cb 0.00 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1s24 h LYS 47 CO 0.00 0.00 0.43 1.05 -2.27 0.00 0.00 179.45 178.66 1s24 h GLU 48 N 0.00 0.00 0.00 1.90 -0.00 -2.03 0.40 114.58 114.85 1s24 h GLU 48 Ca 0.04 0.00 -0.05 0.00 -0.00 0.00 0.00 59.36 59.35 1s24 h GLU 48 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.31 1s24 h GLU 48 CO -0.00 0.00 -1.29 -0.25 -0.00 0.00 0.00 179.01 177.47 1s24 n ASP 49 N -3.99 0.70 -4.83 3.06 9.92 0.02 -4.87 116.55 116.55 1s24 n ASP 49 Ca 0.09 0.28 -0.37 0.00 -0.53 0.00 0.00 54.79 54.26 1s24 n ASP 49 Cb 0.63 0.62 -0.06 0.00 -0.64 0.00 0.00 41.12 41.68 1s24 n ASP 49 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1s24 s TYR 50 N -3.26 3.60 0.07 1.24 2.02 0.14 -0.86 117.35 120.31 1s24 s TYR 50 Ca -0.02 0.67 0.07 0.00 -0.37 0.00 0.00 57.07 57.41 1s24 s TYR 50 Cb 0.10 -2.13 -0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1s24 s TYR 50 CO 0.81 0.59 -0.18 0.54 -1.57 0.00 0.00 175.55 175.75 1s24 s VAL 51 N -0.70 1.45 -0.13 0.71 0.11 -0.80 -4.84 120.40 116.21 1s24 s VAL 51 Ca 0.17 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.62 1s24 s VAL 51 Cb -0.14 -1.32 -0.06 0.00 -1.53 0.00 0.00 36.38 33.34 1s24 s VAL 51 CO 0.06 -0.03 1.91 -0.22 -3.33 0.00 0.00 175.10 173.49 1s24 s LEU 52 N -1.57 3.97 -0.15 2.54 0.20 -1.26 -1.37 118.68 121.04 1s24 s LEU 52 Ca 0.04 2.08 -0.29 0.00 0.69 0.00 0.00 54.13 56.65 1s24 s LEU 52 Cb -0.09 -3.53 -0.03 0.00 -0.43 0.00 0.00 46.19 42.11 1s24 s LEU 52 CO 0.03 -1.37 1.53 -0.47 -0.29 0.00 0.00 176.35 175.77 1s24 s TYR 53 N 5.78 2.26 -0.42 5.38 6.14 -0.09 -4.91 117.35 131.49 1s24 s TYR 53 Ca 0.85 0.54 -0.25 0.00 0.64 0.00 0.00 57.07 58.85 1s24 s TYR 53 Cb -0.34 -3.84 0.02 0.00 0.42 0.00 0.00 41.96 38.23 1s24 s TYR 53 CO 0.35 -2.92 0.90 -1.21 0.64 0.00 0.00 175.55 173.31 1s24 s GLU 54 N 4.13 3.65 -0.10 4.97 8.01 -1.26 -4.75 118.70 133.35 1s24 s GLU 54 Ca 0.67 0.29 -0.01 0.00 0.01 0.00 0.00 54.97 55.94 1s24 s GLU 54 Cb -0.27 -3.87 -0.03 0.00 -4.31 0.00 0.00 34.13 25.65 1s24 s GLU 54 CO 0.25 -1.09 -0.07 -2.00 0.01 0.00 0.00 175.26 172.36 1s24 s GLU 55 N 3.56 3.11 0.00 1.61 2.12 -1.26 -5.22 118.70 122.62 1s24 s GLU 55 Ca 0.36 -0.57 0.00 0.00 0.36 0.00 0.00 54.97 55.12 1s24 s GLU 55 Cb -0.11 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.60 1s24 s GLU 55 CO 0.23 0.47 0.42 1.17 -0.54 0.00 0.00 175.26 177.01