#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 3.15 0.60 0.00 2.02 -1.26 -5.02 117.35 116.84 1s24 s TYR 2 Ca 0.00 1.19 -0.00 0.00 -0.37 0.00 0.00 57.07 57.89 1s24 s TYR 2 Cb 0.00 -3.68 0.05 0.00 -0.40 0.00 0.00 41.96 37.93 1s24 s TYR 2 CO 0.00 -2.11 0.84 -0.51 -1.57 0.00 0.00 175.55 172.20 1s24 s LEU 3 N -0.48 3.16 -0.04 -1.29 1.02 -1.26 -4.89 118.68 114.90 1s24 s LEU 3 Ca 0.56 0.01 0.02 0.00 0.02 0.00 0.00 54.13 54.75 1s24 s LEU 3 Cb -0.39 -2.79 0.01 0.00 0.02 0.00 0.00 46.19 43.04 1s24 s LEU 3 CO 0.42 -1.31 -0.10 -1.59 0.02 0.00 0.00 176.35 173.79 1s24 s LYS 4 N -4.89 1.21 0.52 1.70 0.00 -1.26 -2.98 119.74 114.04 1s24 s LYS 4 Ca 0.59 -0.34 0.01 0.00 0.00 0.00 0.00 55.97 56.24 1s24 s LYS 4 Cb -0.10 -1.08 -0.00 0.00 0.00 0.00 0.00 37.83 36.65 1s24 s LYS 4 CO 0.40 0.08 0.06 -1.58 0.00 0.00 0.00 175.35 174.31 1s24 s TRP 5 N 0.38 1.80 -0.29 1.78 0.52 -0.61 0.16 118.94 122.67 1s24 s TRP 5 Ca -0.07 -0.95 -0.14 0.00 0.02 0.00 0.00 56.10 54.96 1s24 s TRP 5 Cb -0.11 -1.65 0.12 0.00 -1.15 0.00 0.00 33.47 30.68 1s24 s TRP 5 CO 0.01 0.12 0.78 -1.50 0.02 0.00 0.00 176.95 176.38 1s24 s ILE 6 N -2.87 -0.45 -0.80 2.03 -1.16 0.13 0.47 121.20 118.55 1s24 s ILE 6 Ca 0.08 0.00 -0.25 0.00 -0.51 0.00 0.00 60.65 59.97 1s24 s ILE 6 Cb 0.01 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 42.03 1s24 s ILE 6 CO 0.05 0.00 1.95 0.00 -2.81 0.00 0.00 174.94 174.13 1s24 h ILE 8 N 7.17 0.00 0.00 0.00 2.10 -1.31 0.37 117.51 125.84 1s24 h ILE 8 Ca -0.03 0.00 -0.04 0.00 1.08 0.00 0.00 64.86 65.87 1s24 h ILE 8 Cb 1.06 0.70 -0.01 0.00 -1.09 0.00 0.00 36.82 37.48 1s24 h ILE 8 CO 1.20 0.00 -0.20 0.74 -1.08 0.00 0.00 178.15 178.81 1s24 h THR 9 N 0.00 0.94 0.00 2.19 2.02 -1.86 -3.38 112.91 112.82 1s24 h THR 9 Ca 0.00 -0.75 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1s24 h THR 9 Cb 0.55 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 1s24 h THR 9 CO 0.00 0.20 -0.28 0.00 0.37 0.00 0.00 175.52 175.81 1s24 n GLY 11 N 1.67 1.36 3.32 0.00 0.00 0.11 -5.07 105.19 106.58 1s24 n GLY 11 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 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 3.27 0.02 1.61 3.76 -1.23 -4.89 115.29 115.83 1s24 s HIS 12 Ca 0.00 -1.22 -0.29 0.00 -0.15 0.00 0.00 55.06 53.40 1s24 s HIS 12 Cb 0.00 -2.50 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1s24 s HIS 12 CO 0.00 -0.72 0.92 0.42 -0.85 0.00 0.00 174.74 174.51 1s24 s ILE 13 N 1.48 4.79 -0.20 0.60 1.01 -1.26 -1.06 121.20 126.56 1s24 s ILE 13 Ca 0.01 1.94 -0.12 0.00 0.00 0.00 0.00 60.65 62.48 1s24 s ILE 13 Cb -0.20 -4.27 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 1s24 s ILE 13 CO 0.05 0.23 0.23 -0.47 0.00 0.00 0.00 174.94 174.98 1s24 s TYR 14 N 0.63 3.40 -0.33 3.97 5.04 0.17 -4.91 117.35 125.33 1s24 s TYR 14 Ca 0.48 0.44 -0.06 0.00 -2.44 0.00 0.00 57.07 55.48 1s24 s TYR 14 Cb -0.21 -2.30 0.03 0.00 0.35 0.00 0.00 41.96 39.83 1s24 s TYR 14 CO 0.27 0.18 0.09 -0.51 -1.34 0.00 0.00 175.55 174.24 1s24 s ASP 15 N 0.65 5.24 0.61 4.32 1.11 -1.26 -1.57 116.67 125.77 1s24 s ASP 15 Ca 0.12 -1.07 0.27 0.00 0.18 0.00 0.00 52.55 52.05 1s24 s ASP 15 Cb -0.13 -1.86 1.31 0.00 1.07 0.00 0.00 42.92 43.32 1s24 s ASP 15 CO 0.03 -0.30 1.73 -0.33 1.18 0.00 0.00 175.17 177.48 1s24 h GLU 16 N 8.21 0.00 -0.21 8.23 3.07 -1.78 1.20 114.58 133.30 1s24 h GLU 16 Ca -0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.61 1s24 h GLU 16 Cb 1.09 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 1s24 h GLU 16 CO 0.60 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 178.21 1s24 n ALA 17 N -2.19 2.47 -2.67 3.43 0.00 -1.26 -1.46 120.51 118.82 1s24 n ALA 17 Ca 0.09 -0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.12 1s24 n ALA 17 Cb 0.81 -0.99 0.08 0.00 0.00 0.00 0.00 19.45 19.35 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 0.10 -1.37 0.00 0.00 0.00 0.41 -4.65 117.00 111.49 1s24 n LEU 18 Ca 0.07 -1.89 0.00 0.00 0.00 0.00 0.00 56.01 54.19 1s24 n LEU 18 Cb 0.17 0.66 0.00 0.00 0.00 0.00 0.00 43.42 44.25 1s24 n LEU 18 CO 0.05 1.61 0.00 0.61 0.00 0.00 0.00 177.39 179.65 1s24 n GLY 19 N 1.31 -2.50 3.88 -3.96 0.00 -1.09 -4.34 105.19 98.50 1s24 n GLY 19 Ca 0.00 -0.96 -0.30 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 -1.75 5.47 -0.04 1.61 1.01 -1.26 -4.92 116.67 116.80 1s24 s ASP 20 Ca 0.00 1.14 0.06 0.00 0.71 0.00 0.00 52.55 54.45 1s24 s ASP 20 Cb 0.00 -1.94 -0.08 0.00 1.01 0.00 0.00 42.92 41.91 1s24 s ASP 20 CO 0.00 -1.32 0.07 1.21 0.21 0.00 0.00 175.17 175.34 1s24 n GLU 21 N -3.00 1.84 -0.02 8.23 0.00 -1.26 -2.43 120.64 124.01 1s24 n GLU 21 Ca 0.07 -0.03 -0.16 0.00 0.00 0.00 0.00 57.16 57.04 1s24 n GLU 21 Cb 0.57 -1.15 -0.12 0.00 0.00 0.00 0.00 31.44 30.75 1s24 n GLU 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1s24 h ALA 22 N 0.40 0.03 -0.19 4.31 0.00 -1.99 -3.29 119.26 118.53 1s24 h ALA 22 Ca -0.09 -0.51 -0.13 0.00 0.00 0.00 0.00 54.91 54.19 1s24 h ALA 22 Cb 0.89 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1s24 h ALA 22 CO 0.00 0.15 -0.42 0.93 0.00 0.00 0.00 179.25 179.91 1s24 h GLU 23 N -0.45 0.44 0.00 0.00 5.08 -2.01 -3.47 114.58 114.18 1s24 h GLU 23 Ca -0.05 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 1s24 h GLU 23 Cb 1.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1s24 h GLU 23 CO 0.07 0.79 0.00 0.41 -1.00 0.00 0.00 179.01 179.28 1s24 n GLY 24 N -0.04 1.74 3.58 -3.84 0.00 -1.24 -5.02 105.19 100.37 1s24 n GLY 24 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 2.12 0.35 1.61 0.40 -1.02 -4.93 117.98 114.51 1s24 s PHE 25 Ca 0.00 0.02 -0.25 0.00 -0.60 0.00 0.00 56.93 56.09 1s24 s PHE 25 Cb 0.00 -4.19 -0.13 0.00 0.51 0.00 0.00 43.02 39.20 1s24 s PHE 25 CO 0.00 -1.45 0.80 -2.37 0.70 0.00 0.00 175.22 172.90 1s24 n THR 26 N 7.50 2.02 -1.58 0.64 5.66 -1.26 -3.89 114.28 123.36 1s24 n THR 26 Ca 0.44 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 60.50 1s24 n THR 26 Cb 0.47 -0.77 -0.04 0.00 -1.55 0.00 0.00 70.33 68.44 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 0.59 1.91 0.00 1.09 -0.02 -1.26 -2.27 135.00 135.03 1s24 n PRO 27 Ca 0.11 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 1s24 n PRO 27 Cb 0.35 -3.07 0.00 0.00 -0.02 0.00 0.00 33.50 30.76 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 5.73 1.26 3.69 -1.23 0.00 -0.54 -4.95 105.19 109.16 1s24 n GLY 28 Ca 0.31 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.88 1s24 n GLY 28 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1s24 n THR 29 N 0.00 0.15 -4.33 2.61 -1.04 -0.96 -4.92 114.28 105.79 1s24 n THR 29 Ca 0.00 -0.04 -0.34 0.00 -2.04 0.00 0.00 64.05 61.63 1s24 n THR 29 Cb 0.00 -1.67 -0.09 0.00 -1.82 0.00 0.00 70.33 66.75 1s24 n THR 29 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1s24 s ARG 30 N 0.77 2.91 0.38 -2.82 0.52 -1.26 -4.58 118.95 114.87 1s24 s ARG 30 Ca 0.76 -0.49 0.12 0.00 -0.52 0.00 0.00 55.73 55.60 1s24 s ARG 30 Cb -0.62 -2.75 0.92 0.00 0.52 0.00 0.00 34.95 33.02 1s24 s ARG 30 CO 0.38 0.67 1.86 0.35 0.02 0.00 0.00 175.30 178.58 1s24 h PHE 31 N 4.80 0.72 -0.32 -0.53 3.04 -1.94 0.39 116.94 123.10 1s24 h PHE 31 Ca -0.50 0.02 0.09 0.00 3.98 0.00 0.00 57.97 61.56 1s24 h PHE 31 Cb 1.19 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 1s24 h PHE 31 CO 0.62 0.23 0.33 1.49 -2.02 0.00 0.00 178.31 178.97 1s24 h GLU 32 N 0.58 0.00 0.00 1.11 4.81 -2.01 0.16 114.58 119.24 1s24 h GLU 32 Ca 0.46 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.65 1s24 h GLU 32 Cb 0.90 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1s24 h GLU 32 CO -0.21 0.00 -1.67 -3.47 -0.73 0.00 0.00 179.01 172.93 1s24 n ASP 33 N -3.80 0.33 -4.63 1.04 -0.08 0.13 -4.88 116.55 104.66 1s24 n ASP 33 Ca 0.05 0.13 -0.43 0.00 -1.51 0.00 0.00 54.79 53.03 1s24 n ASP 33 Cb 0.49 1.31 -0.03 0.00 2.34 0.00 0.00 41.12 45.23 1s24 n ASP 33 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1s24 s ILE 34 N -3.36 3.00 0.00 5.18 1.01 0.57 -4.96 121.20 122.65 1s24 s ILE 34 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.60 1s24 s ILE 34 Cb 0.12 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.58 1s24 s ILE 34 CO 0.86 -0.00 0.00 -0.81 0.00 0.00 0.00 174.94 174.99 1s24 n PRO 35 N 8.23 0.25 -0.74 2.79 -0.04 -1.26 -4.87 135.00 139.35 1s24 n PRO 35 Ca 0.25 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.76 1s24 n PRO 35 Cb 0.43 0.00 0.32 0.00 -0.04 0.00 0.00 33.50 34.21 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1s24 n ASP 36 N -0.82 4.77 -0.09 3.54 8.00 -1.26 -4.14 116.55 126.55 1s24 n ASP 36 Ca 0.00 -2.78 -0.10 0.00 0.71 0.00 0.00 54.79 52.63 1s24 n ASP 36 Cb 0.00 -0.66 -0.13 0.00 -0.02 0.00 0.00 41.12 40.31 1s24 n ASP 36 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1s24 n ASP 37 N 0.44 0.95 -4.76 -2.24 -0.08 -1.26 -4.96 116.55 104.63 1s24 n ASP 37 Ca 0.24 -0.02 -0.37 0.00 -1.51 0.00 0.00 54.79 53.13 1s24 n ASP 37 Cb 1.04 0.74 0.01 0.00 2.34 0.00 0.00 41.12 45.25 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 -2.42 2.64 0.17 -0.67 -0.00 -1.26 -5.03 118.94 112.37 1s24 s TRP 38 Ca -0.12 1.51 -0.01 0.00 -0.00 0.00 0.00 56.10 57.48 1s24 s TRP 38 Cb 0.05 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 30.07 1s24 s TRP 38 CO 0.68 -1.90 0.22 0.00 -0.00 0.00 0.00 176.95 175.96 1s24 h PRO 41 N 4.02 0.00 0.00 0.00 0.13 -1.99 0.11 132.00 134.28 1s24 h PRO 41 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.58 1s24 h PRO 41 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1s24 h PRO 41 CO 0.67 0.00 -2.09 -3.47 -0.23 0.00 0.00 178.00 172.89 1s24 n ASP 42 N -3.05 0.08 0.02 1.44 -0.08 -1.26 -4.79 116.55 108.91 1s24 n ASP 42 Ca 0.01 0.00 -0.01 0.00 -1.51 0.00 0.00 54.79 53.28 1s24 n ASP 42 Cb 0.35 1.72 -0.00 0.00 2.34 0.00 0.00 41.12 45.52 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 3.14 1.39 3.61 0.00 0.00 0.39 -4.90 105.19 108.82 1s24 n GLY 44 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 3.08 1.00 4.61 0.00 -1.26 -4.72 121.76 122.47 1s24 s ALA 45 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.30 1s24 s ALA 45 Cb 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1s24 s ALA 45 CO 0.00 0.29 0.00 0.25 0.00 0.00 0.00 175.76 176.30 1s24 n THR 46 N -0.74 0.00 0.41 0.00 -2.24 -1.26 -3.23 114.28 107.22 1s24 n THR 46 Ca -0.07 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1s24 n THR 46 Cb 0.59 -0.54 0.25 0.00 -2.10 0.00 0.00 70.33 68.53 1s24 n THR 46 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1s24 n LYS 47 N -0.17 0.02 -0.34 -0.78 4.81 -1.26 -3.25 118.16 117.19 1s24 n LYS 47 Ca 0.00 0.29 0.13 0.00 -0.87 0.00 0.00 58.31 57.85 1s24 n LYS 47 Cb 0.00 -1.50 0.31 0.00 0.02 0.00 0.00 35.03 33.86 1s24 n LYS 47 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1s24 h GLU 48 N 0.00 0.67 0.00 1.64 4.81 -2.00 0.14 114.58 119.84 1s24 h GLU 48 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1s24 h GLU 48 Cb 0.19 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.42 1s24 h GLU 48 CO 0.00 0.44 -0.53 0.38 -0.73 0.00 0.00 179.01 178.57 1s24 h ASP 49 N 0.69 0.00 -3.11 1.04 2.03 -1.87 -3.46 116.42 111.74 1s24 h ASP 49 Ca 0.57 -0.14 -0.59 0.00 -0.73 0.00 0.00 57.03 56.13 1s24 h ASP 49 Cb 0.91 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.36 1s24 h ASP 49 CO -0.40 0.07 -0.15 -0.31 -1.03 0.00 0.00 179.24 177.42 1s24 s TYR 50 N -3.18 3.73 0.13 4.15 2.02 0.50 -0.82 117.35 123.88 1s24 s TYR 50 Ca 0.06 1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 57.82 1s24 s TYR 50 Cb 0.12 -2.35 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1s24 s TYR 50 CO 0.71 0.60 0.06 0.14 -1.57 0.00 0.00 175.55 175.49 1s24 s VAL 51 N -1.14 0.11 0.02 0.71 -7.23 -0.71 -4.87 120.40 107.28 1s24 s VAL 51 Ca 0.27 -1.88 -0.30 0.00 -1.81 0.00 0.00 61.98 58.26 1s24 s VAL 51 Cb -0.17 -1.99 -0.07 0.00 0.56 0.00 0.00 36.38 34.70 1s24 s VAL 51 CO 0.16 -0.50 1.72 -0.22 -0.31 0.00 0.00 175.10 175.94 1s24 s LEU 52 N -3.03 4.36 -0.24 1.32 2.96 -1.26 0.20 118.68 122.99 1s24 s LEU 52 Ca 0.22 2.43 -0.29 0.00 -0.22 0.00 0.00 54.13 56.28 1s24 s LEU 52 Cb 0.07 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1s24 s LEU 52 CO 0.01 -0.93 1.36 -0.47 -1.32 0.00 0.00 176.35 174.99 1s24 s TYR 53 N 3.51 2.60 0.31 5.38 5.04 0.41 -4.79 117.35 129.81 1s24 s TYR 53 Ca 0.77 0.82 0.03 0.00 -2.44 0.00 0.00 57.07 56.25 1s24 s TYR 53 Cb -0.38 -3.82 -0.04 0.00 0.35 0.00 0.00 41.96 38.07 1s24 s TYR 53 CO 0.33 -2.00 0.12 -2.00 -1.34 0.00 0.00 175.55 170.66 1s24 s GLU 54 N 4.08 1.61 0.00 4.97 2.12 -1.26 -4.74 118.70 125.49 1s24 s GLU 54 Ca 0.59 -1.92 0.00 0.00 0.36 0.00 0.00 54.97 54.00 1s24 s GLU 54 Cb -0.20 -0.36 0.00 0.00 0.26 0.00 0.00 34.13 33.83 1s24 s GLU 54 CO 0.22 -0.37 0.00 0.39 -0.54 0.00 0.00 175.26 174.96 1s24 n GLU 55 N -0.63 -0.15 0.00 4.30 1.02 -1.26 -5.21 120.64 118.72 1s24 n GLU 55 Ca -0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.26 1s24 n GLU 55 Cb 0.66 0.00 0.37 0.00 -0.02 0.00 0.00 31.44 32.45 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48