#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 2.90 0.44 0.00 2.02 -1.26 -5.02 117.35 116.44 1s24 s TYR 2 Ca 0.00 1.39 0.07 0.00 -0.37 0.00 0.00 57.07 58.16 1s24 s TYR 2 Cb 0.00 -3.71 0.01 0.00 -0.40 0.00 0.00 41.96 37.86 1s24 s TYR 2 CO 0.00 -2.08 0.61 -0.51 -1.57 0.00 0.00 175.55 172.00 1s24 s LEU 3 N -2.09 3.59 0.04 -1.29 1.02 -1.26 -4.95 118.68 113.75 1s24 s LEU 3 Ca 0.53 -0.35 0.03 0.00 0.02 0.00 0.00 54.13 54.35 1s24 s LEU 3 Cb -0.40 -2.69 -0.02 0.00 0.02 0.00 0.00 46.19 43.10 1s24 s LEU 3 CO 0.52 -0.83 -0.09 -0.54 0.02 0.00 0.00 176.35 175.43 1s24 s LYS 4 N -4.42 0.59 0.42 1.70 1.02 -1.26 -2.73 119.74 115.05 1s24 s LYS 4 Ca 0.55 -0.74 0.04 0.00 0.02 0.00 0.00 55.97 55.84 1s24 s LYS 4 Cb -0.10 -0.42 -0.02 0.00 -0.52 0.00 0.00 37.83 36.77 1s24 s LYS 4 CO 0.34 0.09 0.14 -1.58 -0.92 0.00 0.00 175.35 173.41 1s24 s TRP 5 N -1.23 1.78 -0.25 3.18 0.52 -0.84 -2.53 118.94 119.58 1s24 s TRP 5 Ca -0.07 -1.31 -0.09 0.00 0.02 0.00 0.00 56.10 54.65 1s24 s TRP 5 Cb -0.09 -1.16 0.11 0.00 -1.15 0.00 0.00 33.47 31.18 1s24 s TRP 5 CO 0.01 -0.32 0.54 -1.50 0.02 0.00 0.00 176.95 175.70 1s24 s ILE 6 N -3.18 -0.80 -0.68 2.03 1.10 0.80 -1.16 121.20 119.32 1s24 s ILE 6 Ca 0.22 0.08 -0.26 0.00 -0.51 0.00 0.00 60.65 60.18 1s24 s ILE 6 Cb 0.02 -0.84 -0.04 0.00 0.15 0.00 0.00 42.46 41.74 1s24 s ILE 6 CO 0.14 0.03 2.00 0.00 -2.11 0.00 0.00 174.94 175.01 1s24 h ILE 8 N 7.15 0.00 0.00 0.00 2.10 -0.53 1.36 117.51 127.60 1s24 h ILE 8 Ca -0.15 0.00 -0.18 0.00 1.08 0.00 0.00 64.86 65.61 1s24 h ILE 8 Cb 1.13 0.74 -0.03 0.00 -1.09 0.00 0.00 36.82 37.58 1s24 h ILE 8 CO 1.19 0.00 -0.88 0.74 -1.08 0.00 0.00 178.15 178.12 1s24 h THR 9 N 0.00 1.39 0.00 2.19 2.02 -1.86 -3.40 112.91 113.24 1s24 h THR 9 Ca 0.00 -2.99 -0.06 0.00 0.77 0.00 0.00 66.41 64.13 1s24 h THR 9 Cb 0.50 2.68 -0.01 0.00 -1.74 0.00 0.00 68.15 69.58 1s24 h THR 9 CO 0.00 0.79 -1.21 0.00 0.37 0.00 0.00 175.52 175.47 1s24 n GLY 11 N 2.96 1.45 3.80 0.00 0.00 0.43 -5.02 105.19 108.81 1s24 n GLY 11 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 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 3.50 -0.03 1.61 5.65 -1.25 -4.82 115.29 117.94 1s24 s HIS 12 Ca 0.00 0.44 -0.11 0.00 0.25 0.00 0.00 55.06 55.65 1s24 s HIS 12 Cb 0.00 -2.08 -0.05 0.00 -1.18 0.00 0.00 32.58 29.27 1s24 s HIS 12 CO 0.00 0.49 0.30 0.42 -0.65 0.00 0.00 174.74 175.29 1s24 s ILE 13 N -0.26 5.24 -0.00 0.89 1.01 -1.26 -0.92 121.20 125.90 1s24 s ILE 13 Ca 0.12 0.50 0.02 0.00 0.00 0.00 0.00 60.65 61.29 1s24 s ILE 13 Cb -0.12 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.74 1s24 s ILE 13 CO 0.01 0.54 -0.01 -0.47 0.00 0.00 0.00 174.94 175.02 1s24 s TYR 14 N -1.12 3.05 -0.27 3.97 5.04 -0.31 -4.92 117.35 122.81 1s24 s TYR 14 Ca 0.22 0.07 0.03 0.00 -2.44 0.00 0.00 57.07 54.95 1s24 s TYR 14 Cb -0.14 -1.66 0.06 0.00 0.35 0.00 0.00 41.96 40.56 1s24 s TYR 14 CO 0.11 0.45 -0.10 0.34 -1.34 0.00 0.00 175.55 175.01 1s24 s ASP 15 N -1.53 4.48 0.57 4.32 -1.08 -1.26 -1.98 116.67 120.19 1s24 s ASP 15 Ca 0.19 -1.44 0.31 0.00 -0.52 0.00 0.00 52.55 51.09 1s24 s ASP 15 Cb -0.11 -1.56 1.45 0.00 -1.46 0.00 0.00 42.92 41.24 1s24 s ASP 15 CO 0.10 -0.20 1.83 -0.33 0.52 0.00 0.00 175.17 177.09 1s24 h GLU 16 N 7.77 0.00 -0.57 4.34 5.08 -1.67 1.21 114.58 130.73 1s24 h GLU 16 Ca -0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 1s24 h GLU 16 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1s24 h GLU 16 CO 0.46 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.47 1s24 n ALA 17 N -2.53 2.72 -2.67 3.43 0.00 -1.26 -1.25 120.51 118.94 1s24 n ALA 17 Ca 0.16 -1.03 -0.05 0.00 0.00 0.00 0.00 53.44 52.52 1s24 n ALA 17 Cb 0.93 -1.00 0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 0.85 -1.41 0.00 0.00 7.94 0.41 -4.53 117.00 120.27 1s24 n LEU 18 Ca 0.18 -1.92 0.00 0.00 -1.11 0.00 0.00 56.01 53.16 1s24 n LEU 18 Cb 0.57 0.64 0.00 0.00 0.53 0.00 0.00 43.42 45.16 1s24 n LEU 18 CO 0.15 1.61 0.00 0.61 -1.11 0.00 0.00 177.39 178.65 1s24 n GLY 19 N 1.37 -2.48 3.96 -3.96 0.00 -0.91 -4.11 105.19 99.06 1s24 n GLY 19 Ca 0.01 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.10 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 -1.79 5.86 0.09 1.61 2.15 -1.26 -4.86 116.67 118.47 1s24 s ASP 20 Ca 0.00 0.14 0.21 0.00 0.43 0.00 0.00 52.55 53.33 1s24 s ASP 20 Cb 0.00 -1.44 -0.13 0.00 -0.30 0.00 0.00 42.92 41.06 1s24 s ASP 20 CO 0.00 -0.63 0.80 1.21 -0.17 0.00 0.00 175.17 176.39 1s24 n GLU 21 N -1.95 0.63 0.03 4.34 4.07 -1.26 -3.27 120.64 123.22 1s24 n GLU 21 Ca 0.01 0.07 -0.17 0.00 -0.06 0.00 0.00 57.16 57.01 1s24 n GLU 21 Cb 0.58 -1.74 -0.14 0.00 -0.06 0.00 0.00 31.44 30.08 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1s24 h ALA 22 N 1.79 0.42 0.00 4.31 0.00 -2.00 -3.33 119.26 120.45 1s24 h ALA 22 Ca -0.08 -1.28 -0.04 0.00 0.00 0.00 0.00 54.91 53.51 1s24 h ALA 22 Cb 1.23 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 1s24 h ALA 22 CO 0.01 1.28 -0.18 0.93 0.00 0.00 0.00 179.25 181.30 1s24 h GLU 23 N 0.06 0.00 0.00 0.00 4.39 -1.99 -3.46 114.58 113.58 1s24 h GLU 23 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 1s24 h GLU 23 Cb 2.03 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.68 1s24 h GLU 23 CO 0.12 0.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.56 1s24 n GLY 24 N -0.70 1.25 3.57 -3.84 0.00 -1.25 -4.98 105.19 99.24 1s24 n GLY 24 Ca -0.02 -0.34 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 2.18 0.40 1.61 0.08 -1.20 -4.94 117.98 114.11 1s24 s PHE 25 Ca 0.00 -0.14 -0.24 0.00 0.12 0.00 0.00 56.93 56.66 1s24 s PHE 25 Cb 0.00 -4.28 -0.12 0.00 -0.57 0.00 0.00 43.02 38.05 1s24 s PHE 25 CO 0.00 -1.57 0.85 -2.37 -0.10 0.00 0.00 175.22 172.02 1s24 n THR 26 N 7.38 2.20 -1.54 0.64 5.66 -1.26 -4.24 114.28 123.13 1s24 n THR 26 Ca 0.43 -0.50 -0.43 0.00 -3.05 0.00 0.00 64.05 60.50 1s24 n THR 26 Cb 0.47 -0.91 -0.05 0.00 -1.55 0.00 0.00 70.33 68.30 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 0.35 1.33 0.00 1.09 -0.02 -1.26 -3.62 135.00 132.87 1s24 n PRO 27 Ca 0.10 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1s24 n PRO 27 Cb 0.38 -2.97 0.00 0.00 -0.02 0.00 0.00 33.50 30.89 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 6.11 0.45 2.91 -1.23 0.00 -1.25 -5.03 105.19 107.15 1s24 n GLY 28 Ca 0.37 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.50 0.92 0.09 2.61 2.01 -0.38 -5.03 115.64 115.35 1s24 s THR 29 Ca 0.00 -0.26 0.02 0.00 0.31 0.00 0.00 61.69 61.77 1s24 s THR 29 Cb 0.00 -0.93 -0.04 0.00 0.01 0.00 0.00 72.50 71.54 1s24 s THR 29 CO 0.00 0.34 0.14 0.00 -0.69 0.00 0.00 174.62 174.40 1s24 s ARG 30 N 1.46 3.08 0.26 4.92 1.70 -1.26 -4.13 118.95 124.98 1s24 s ARG 30 Ca -0.00 -0.63 -0.01 0.00 -0.47 0.00 0.00 55.73 54.61 1s24 s ARG 30 Cb -0.13 -2.82 0.57 0.00 -0.57 0.00 0.00 34.95 32.00 1s24 s ARG 30 CO -0.05 0.57 1.68 0.35 -1.08 0.00 0.00 175.30 176.77 1s24 h PHE 31 N 3.06 0.40 -0.41 5.89 3.57 -1.93 -0.04 116.94 127.49 1s24 h PHE 31 Ca -0.46 0.04 0.07 0.00 3.53 0.00 0.00 57.97 61.15 1s24 h PHE 31 Cb 1.17 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 39.79 1s24 h PHE 31 CO 0.60 -0.08 0.01 1.49 -2.23 0.00 0.00 178.31 178.10 1s24 h GLU 32 N 0.31 0.11 0.00 1.11 4.22 -2.00 0.15 114.58 118.49 1s24 h GLU 32 Ca 0.48 -0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 1s24 h GLU 32 Cb 0.86 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.08 1s24 h GLU 32 CO -0.53 0.08 -0.08 0.22 -2.18 0.00 0.00 179.01 176.52 1s24 h ASP 33 N 0.12 0.00 -3.65 1.04 3.58 -1.44 -3.40 116.42 112.67 1s24 h ASP 33 Ca 0.20 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 57.08 1s24 h ASP 33 Cb 0.28 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 41.26 1s24 h ASP 33 CO -0.33 0.08 0.88 -0.63 -2.88 0.00 0.00 179.24 176.36 1s24 s ILE 34 N -4.00 4.28 0.00 2.25 1.01 0.54 -4.99 121.20 120.29 1s24 s ILE 34 Ca -0.02 1.25 0.00 0.00 0.00 0.00 0.00 60.65 61.88 1s24 s ILE 34 Cb 0.12 -4.56 0.00 0.00 0.01 0.00 0.00 42.46 38.03 1s24 s ILE 34 CO 0.55 -0.92 0.00 -0.81 0.00 0.00 0.00 174.94 173.76 1s24 n PRO 35 N 7.63 -0.99 0.20 2.79 -0.04 -1.26 -4.89 135.00 138.44 1s24 n PRO 35 Ca 0.11 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 1s24 n PRO 35 Cb 0.49 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 34.48 1s24 n PRO 35 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 1s24 h ASP 36 N -1.02 0.00 -0.80 3.54 3.58 -1.96 -3.09 116.42 116.66 1s24 h ASP 36 Ca 0.00 0.00 0.21 0.00 0.42 0.00 0.00 57.03 57.66 1s24 h ASP 36 Cb 0.00 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.01 1s24 h ASP 36 CO 0.00 0.00 0.56 -0.78 -2.88 0.00 0.00 179.24 176.14 1s24 h ASP 37 N 0.00 0.12 -4.04 2.28 3.58 -1.99 -3.41 116.42 112.96 1s24 h ASP 37 Ca 0.00 0.01 -0.50 0.00 0.42 0.00 0.00 57.03 56.96 1s24 h ASP 37 Cb 0.52 -0.01 0.05 0.00 1.72 0.00 0.00 39.33 41.61 1s24 h ASP 37 CO 0.00 0.05 0.29 0.86 -2.88 0.00 0.00 179.24 177.56 1s24 s TRP 38 N -5.12 3.56 0.00 0.28 -0.00 -1.17 -5.07 118.94 111.42 1s24 s TRP 38 Ca -0.06 1.06 0.00 0.00 -0.00 0.00 0.00 56.10 57.10 1s24 s TRP 38 Cb 0.21 -2.60 0.00 0.00 -0.00 0.00 0.00 33.47 31.08 1s24 s TRP 38 CO 0.77 -0.59 0.00 0.00 -0.00 0.00 0.00 176.95 177.12 1s24 h PRO 41 N 0.10 0.00 -0.02 0.00 0.11 -2.01 -3.28 132.00 126.91 1s24 h PRO 41 Ca -0.46 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.47 1s24 h PRO 41 Cb 1.21 0.00 -0.38 0.00 0.11 0.00 0.00 31.00 31.94 1s24 h PRO 41 CO 0.61 0.21 -1.03 -0.25 -0.21 0.00 0.00 178.00 177.34 1s24 n ASP 42 N -3.28 1.05 0.00 -2.05 8.00 -1.26 -4.90 116.55 114.11 1s24 n ASP 42 Ca 0.01 -2.05 0.00 0.00 0.71 0.00 0.00 54.79 53.46 1s24 n ASP 42 Cb 0.48 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.26 1s24 n ASP 42 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1s24 n GLY 44 N 1.26 0.39 0.73 0.00 0.00 -1.23 -4.92 105.19 101.43 1s24 n GLY 44 Ca 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 46.02 45.08 1s24 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s24 n ALA 45 N -0.79 0.22 -2.46 4.61 0.00 -1.26 -4.80 120.51 116.04 1s24 n ALA 45 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.04 1s24 n ALA 45 Cb 0.44 0.12 0.00 0.00 0.00 0.00 0.00 19.45 20.01 1s24 n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1s24 n THR 46 N -1.17 0.00 0.29 0.00 -2.24 -1.26 -3.77 114.28 106.13 1s24 n THR 46 Ca 0.03 0.00 0.18 0.00 -2.27 0.00 0.00 64.05 61.99 1s24 n THR 46 Cb 0.11 -0.53 0.96 0.00 -2.10 0.00 0.00 70.33 68.77 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 -0.58 -0.78 3.64 -1.92 -2.66 116.57 114.27 1s24 h LYS 47 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 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 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 1s24 h GLU 48 N 0.00 0.12 0.00 1.90 4.39 -2.02 0.39 114.58 119.35 1s24 h GLU 48 Ca 0.00 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 1s24 h GLU 48 Cb 0.15 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1s24 h GLU 48 CO 0.00 0.08 -0.03 -0.44 -1.16 0.00 0.00 179.01 177.46 1s24 h ASP 49 N 0.12 0.00 -2.97 1.42 5.19 -1.85 -3.43 116.42 114.90 1s24 h ASP 49 Ca 0.30 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 56.09 1s24 h ASP 49 Cb 0.47 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 39.91 1s24 h ASP 49 CO -0.49 0.03 -0.31 -0.31 -3.12 0.00 0.00 179.24 175.04 1s24 s TYR 50 N -3.54 3.63 0.21 4.55 2.02 0.14 0.26 117.35 124.61 1s24 s TYR 50 Ca 0.03 0.76 0.09 0.00 -0.37 0.00 0.00 57.07 57.58 1s24 s TYR 50 Cb 0.08 -2.20 -0.05 0.00 -0.40 0.00 0.00 41.96 39.39 1s24 s TYR 50 CO 0.59 0.57 -0.16 0.08 -1.57 0.00 0.00 175.55 175.06 1s24 s VAL 51 N -0.69 1.88 -0.64 0.71 1.01 -0.09 -4.84 120.40 117.74 1s24 s VAL 51 Ca 0.19 -2.17 -0.27 0.00 0.00 0.00 0.00 61.98 59.74 1s24 s VAL 51 Cb -0.14 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.20 1s24 s VAL 51 CO 0.08 -0.49 1.71 -0.22 0.00 0.00 0.00 175.10 176.19 1s24 s LEU 52 N -3.18 3.26 0.23 3.92 1.98 -1.26 -0.14 118.68 123.49 1s24 s LEU 52 Ca 0.22 0.15 -0.31 0.00 -2.89 0.00 0.00 54.13 51.30 1s24 s LEU 52 Cb -0.03 -2.55 -0.14 0.00 0.66 0.00 0.00 46.19 44.13 1s24 s LEU 52 CO 0.08 -2.24 1.31 0.00 -1.89 0.00 0.00 176.35 173.62 1s24 n TYR 53 N 11.89 1.88 -3.34 5.38 9.36 -1.05 -4.92 117.16 136.36 1s24 n TYR 53 Ca 0.16 0.52 -0.44 0.00 3.32 0.00 0.00 57.90 61.46 1s24 n TYR 53 Cb 0.51 -2.40 -0.08 0.00 -0.63 0.00 0.00 39.34 36.74 1s24 n TYR 53 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 1s24 s GLU 54 N -0.52 3.03 -0.42 2.98 2.56 -1.26 -4.85 118.70 120.23 1s24 s GLU 54 Ca 0.69 -1.04 -0.06 0.00 0.00 0.00 0.00 54.97 54.56 1s24 s GLU 54 Cb -0.71 -4.05 0.10 0.00 2.00 0.00 0.00 34.13 31.48 1s24 s GLU 54 CO 0.51 -0.95 0.23 -2.00 -0.56 0.00 0.00 175.26 172.49 1s24 s GLU 55 N 1.96 2.27 0.00 4.30 2.12 -1.26 -5.25 118.70 122.84 1s24 s GLU 55 Ca 0.08 -1.69 0.00 0.00 0.36 0.00 0.00 54.97 53.73 1s24 s GLU 55 Cb -0.20 -3.67 0.00 0.00 0.26 0.00 0.00 34.13 30.52 1s24 s GLU 55 CO 0.10 -1.04 0.00 1.17 -0.54 0.00 0.00 175.26 174.95