#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 2.73 -2.66 0.00 4.01 -1.26 -4.99 117.16 115.00 1s24 n TYR 2 Ca 0.00 0.12 -0.22 0.00 -0.16 0.00 0.00 57.90 57.64 1s24 n TYR 2 Cb 0.00 -2.64 0.03 0.00 -0.31 0.00 0.00 39.34 36.42 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 0.70 3.30 0.12 7.72 1.02 -1.26 -4.82 118.68 125.45 1s24 s LEU 3 Ca 0.72 0.10 0.05 0.00 0.02 0.00 0.00 54.13 55.02 1s24 s LEU 3 Cb -0.52 -2.96 -0.04 0.00 0.02 0.00 0.00 46.19 42.70 1s24 s LEU 3 CO 0.37 -1.10 -0.13 -0.54 0.02 0.00 0.00 176.35 174.97 1s24 s LYS 4 N -4.77 0.98 -0.03 1.70 1.02 -1.26 -2.51 119.74 114.86 1s24 s LYS 4 Ca 0.56 -1.22 0.03 0.00 0.02 0.00 0.00 55.97 55.36 1s24 s LYS 4 Cb -0.10 -0.79 0.00 0.00 -0.52 0.00 0.00 37.83 36.42 1s24 s LYS 4 CO 0.39 0.14 -0.13 -1.58 -0.92 0.00 0.00 175.35 173.26 1s24 s TRP 5 N -2.26 1.30 -0.17 3.18 0.52 -0.87 -2.43 118.94 118.21 1s24 s TRP 5 Ca 0.08 -0.35 -0.05 0.00 0.02 0.00 0.00 56.10 55.81 1s24 s TRP 5 Cb -0.04 -0.89 -0.03 0.00 -1.15 0.00 0.00 33.47 31.36 1s24 s TRP 5 CO 0.02 -0.13 -0.01 -1.50 0.02 0.00 0.00 176.95 175.35 1s24 s ILE 6 N 0.12 4.05 -0.67 2.03 1.10 -0.28 0.91 121.20 128.46 1s24 s ILE 6 Ca -0.03 -0.29 -0.27 0.00 -0.51 0.00 0.00 60.65 59.54 1s24 s ILE 6 Cb -0.10 -2.80 0.00 0.00 0.15 0.00 0.00 42.46 39.71 1s24 s ILE 6 CO 0.01 0.47 1.57 0.00 -2.11 0.00 0.00 174.94 174.88 1s24 h ILE 8 N 6.47 0.00 -0.52 0.00 2.10 -1.42 0.92 117.51 125.06 1s24 h ILE 8 Ca -0.27 0.00 -0.09 0.00 1.08 0.00 0.00 64.86 65.58 1s24 h ILE 8 Cb 1.11 0.81 -0.02 0.00 -1.09 0.00 0.00 36.82 37.62 1s24 h ILE 8 CO 1.25 0.00 -0.02 0.74 -1.08 0.00 0.00 178.15 179.04 1s24 h THR 9 N 0.00 1.26 0.00 2.19 2.02 -1.88 -3.39 112.91 113.10 1s24 h THR 9 Ca 0.00 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.09 1s24 h THR 9 Cb 0.39 0.87 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1s24 h THR 9 CO -0.00 0.39 -0.54 0.00 0.37 0.00 0.00 175.52 175.74 1s24 n GLY 11 N 2.20 1.15 3.60 0.00 0.00 0.31 -5.04 105.19 107.42 1s24 n GLY 11 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 3.22 0.08 1.61 5.65 -1.24 -4.81 115.29 117.79 1s24 s HIS 12 Ca 0.00 -0.01 -0.14 0.00 0.25 0.00 0.00 55.06 55.17 1s24 s HIS 12 Cb 0.00 -2.11 -0.06 0.00 -1.18 0.00 0.00 32.58 29.23 1s24 s HIS 12 CO 0.00 0.06 0.47 0.42 -0.65 0.00 0.00 174.74 175.04 1s24 s ILE 13 N 0.61 4.96 -0.15 0.89 1.01 -1.26 -0.41 121.20 126.86 1s24 s ILE 13 Ca 0.03 0.75 -0.03 0.00 0.00 0.00 0.00 60.65 61.40 1s24 s ILE 13 Cb -0.13 -3.72 -0.03 0.00 0.01 0.00 0.00 42.46 38.59 1s24 s ILE 13 CO 0.01 0.38 -0.03 -0.47 0.00 0.00 0.00 174.94 174.83 1s24 s TYR 14 N -1.31 3.04 -0.39 3.97 5.04 0.26 -4.89 117.35 123.08 1s24 s TYR 14 Ca 0.32 -0.23 -0.09 0.00 -2.44 0.00 0.00 57.07 54.62 1s24 s TYR 14 Cb -0.16 -1.94 0.05 0.00 0.35 0.00 0.00 41.96 40.27 1s24 s TYR 14 CO 0.17 0.03 0.21 0.34 -1.34 0.00 0.00 175.55 174.96 1s24 s ASP 15 N 0.20 5.62 0.61 4.32 -1.08 -1.26 -2.05 116.67 123.03 1s24 s ASP 15 Ca -0.02 -1.23 0.28 0.00 -0.52 0.00 0.00 52.55 51.06 1s24 s ASP 15 Cb -0.14 -1.98 1.38 0.00 -1.46 0.00 0.00 42.92 40.72 1s24 s ASP 15 CO 0.03 -0.44 1.79 -0.33 0.52 0.00 0.00 175.17 176.74 1s24 h GLU 16 N 8.39 0.00 -0.54 4.34 5.08 -1.76 1.21 114.58 131.30 1s24 h GLU 16 Ca -0.24 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.12 1s24 h GLU 16 Cb 1.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1s24 h GLU 16 CO 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.70 1s24 n ALA 17 N -2.23 2.71 -2.66 3.43 0.00 -1.26 -2.22 120.51 118.28 1s24 n ALA 17 Ca 0.08 -0.88 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 1s24 n ALA 17 Cb 0.75 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 19.31 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 0.65 -1.25 0.00 0.00 7.94 0.41 -4.66 117.00 120.09 1s24 n LEU 18 Ca 0.15 -1.85 0.00 0.00 -1.11 0.00 0.00 56.01 53.20 1s24 n LEU 18 Cb 0.51 0.89 0.00 0.00 0.53 0.00 0.00 43.42 45.35 1s24 n LEU 18 CO 0.13 1.59 0.00 0.61 -1.11 0.00 0.00 177.39 178.61 1s24 n GLY 19 N 0.72 -1.50 3.83 -3.96 0.00 -0.83 -4.32 105.19 99.12 1s24 n GLY 19 Ca -0.04 -0.64 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.57 6.88 -0.09 1.61 -1.08 -1.26 -4.92 116.67 116.24 1s24 s ASP 20 Ca 0.00 1.64 0.15 0.00 -0.52 0.00 0.00 52.55 53.82 1s24 s ASP 20 Cb 0.00 -2.52 -0.22 0.00 -1.46 0.00 0.00 42.92 38.72 1s24 s ASP 20 CO 0.00 -0.39 0.20 1.21 0.52 0.00 0.00 175.17 176.71 1s24 n GLU 21 N -0.77 1.03 0.05 4.34 2.13 -1.26 -1.49 120.64 124.66 1s24 n GLU 21 Ca 0.07 -0.08 -0.20 0.00 0.66 0.00 0.00 57.16 57.61 1s24 n GLU 21 Cb 0.54 -1.38 -0.13 0.00 0.27 0.00 0.00 31.44 30.73 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 1.10 -0.03 -0.23 4.31 0.00 -1.98 -3.33 119.26 119.10 1s24 h ALA 22 Ca -0.21 -0.69 -0.12 0.00 0.00 0.00 0.00 54.91 53.90 1s24 h ALA 22 Cb 1.34 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.22 1s24 h ALA 22 CO 0.01 0.45 -0.31 0.93 0.00 0.00 0.00 179.25 180.33 1s24 h GLU 23 N -0.13 0.61 0.00 0.00 5.08 -2.00 -3.47 114.58 114.67 1s24 h GLU 23 Ca -0.14 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1s24 h GLU 23 Cb 1.64 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.92 1s24 h GLU 23 CO 0.17 0.96 0.00 0.41 -1.00 0.00 0.00 179.01 179.55 1s24 n GLY 24 N 0.28 1.53 3.58 -3.84 0.00 -1.25 -5.04 105.19 100.44 1s24 n GLY 24 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.53 2.19 0.60 1.61 0.40 -0.56 -4.94 117.98 115.76 1s24 s PHE 25 Ca 0.00 -0.15 -0.18 0.00 -0.60 0.00 0.00 56.93 56.00 1s24 s PHE 25 Cb 0.00 -4.24 -0.08 0.00 0.51 0.00 0.00 43.02 39.21 1s24 s PHE 25 CO 0.00 -1.44 0.50 -2.37 0.70 0.00 0.00 175.22 172.61 1s24 n THR 26 N 7.38 2.12 -1.68 0.64 5.66 -1.26 -3.95 114.28 123.20 1s24 n THR 26 Ca 0.45 -0.48 -0.28 0.00 -3.05 0.00 0.00 64.05 60.69 1s24 n THR 26 Cb 0.47 -0.68 -0.04 0.00 -1.55 0.00 0.00 70.33 68.52 1s24 n THR 26 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1s24 s PRO 27 N -2.21 2.05 0.00 1.09 0.04 -1.26 -3.25 135.00 131.46 1s24 s PRO 27 Ca 0.68 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1s24 s PRO 27 Cb -0.42 -4.67 0.00 0.00 0.04 0.00 0.00 34.50 29.45 1s24 s PRO 27 CO 0.55 -3.60 0.00 0.41 0.04 0.00 0.00 177.00 174.40 1s24 n GLY 28 N 6.31 0.20 3.07 0.56 0.00 -0.94 -4.96 105.19 109.43 1s24 n GLY 28 Ca 0.38 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.34 2.49 0.30 2.61 2.01 -1.09 -5.05 115.64 116.58 1s24 s THR 29 Ca 0.00 -1.92 -0.28 0.00 0.31 0.00 0.00 61.69 59.80 1s24 s THR 29 Cb 0.00 -2.64 -0.09 0.00 0.01 0.00 0.00 72.50 69.78 1s24 s THR 29 CO 0.00 -0.34 1.06 -0.13 -0.69 0.00 0.00 174.62 174.51 1s24 s ARG 30 N 1.06 4.56 0.54 4.92 0.52 -1.26 -4.67 118.95 124.62 1s24 s ARG 30 Ca 0.01 1.67 0.30 0.00 -0.52 0.00 0.00 55.73 57.19 1s24 s ARG 30 Cb -0.20 -3.04 1.46 0.00 0.52 0.00 0.00 34.95 33.70 1s24 s ARG 30 CO -0.05 0.18 1.91 0.35 0.02 0.00 0.00 175.30 177.71 1s24 h PHE 31 N 3.54 0.00 -0.24 -0.53 3.57 -1.93 -1.42 116.94 119.92 1s24 h PHE 31 Ca -0.47 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.09 1s24 h PHE 31 Cb 1.21 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.90 1s24 h PHE 31 CO 0.59 0.00 -0.10 1.49 -2.23 0.00 0.00 178.31 178.06 1s24 h GLU 32 N 0.00 -0.06 0.00 1.11 4.81 -2.00 0.13 114.58 118.56 1s24 h GLU 32 Ca 0.37 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.60 1s24 h GLU 32 Cb 1.51 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.90 1s24 h GLU 32 CO -0.00 -0.04 0.00 -3.47 -0.73 0.00 0.00 179.01 174.76 1s24 n ASP 33 N -5.27 0.00 -4.26 1.04 -0.08 -0.54 -4.40 116.55 103.04 1s24 n ASP 33 Ca -0.01 -0.47 -0.44 0.00 -1.51 0.00 0.00 54.79 52.36 1s24 n ASP 33 Cb 0.19 -0.11 -0.04 0.00 2.34 0.00 0.00 41.12 43.49 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 -2.22 5.03 0.00 5.18 1.01 0.44 -5.04 121.20 125.60 1s24 s ILE 34 Ca 0.30 -2.59 0.00 0.00 0.00 0.00 0.00 60.65 58.36 1s24 s ILE 34 Cb 0.16 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1s24 s ILE 34 CO 0.30 -0.98 0.00 -0.81 0.00 0.00 0.00 174.94 173.46 1s24 n PRO 35 N 3.86 0.05 0.17 2.79 -0.04 -1.26 -4.80 135.00 135.76 1s24 n PRO 35 Ca 0.11 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.70 1s24 n PRO 35 Cb 0.44 0.00 0.55 0.00 -0.04 0.00 0.00 33.50 34.45 1s24 n PRO 35 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1s24 h ASP 36 N -0.61 0.00 -0.93 3.54 3.32 -1.96 -3.09 116.42 116.69 1s24 h ASP 36 Ca 0.00 0.00 0.27 0.00 0.02 0.00 0.00 57.03 57.32 1s24 h ASP 36 Cb 0.00 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.51 1s24 h ASP 36 CO 0.00 0.00 0.70 -0.78 -1.72 0.00 0.00 179.24 177.44 1s24 h ASP 37 N 0.00 0.00 -3.23 6.45 3.58 -1.99 -3.40 116.42 117.84 1s24 h ASP 37 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 1s24 h ASP 37 Cb 0.37 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.38 1s24 h ASP 37 CO 0.00 0.00 -0.06 0.86 -2.88 0.00 0.00 179.24 177.16 1s24 s TRP 38 N -4.90 3.77 0.04 0.28 -0.00 -1.17 -5.08 118.94 111.88 1s24 s TRP 38 Ca -0.05 1.21 0.00 0.00 -0.00 0.00 0.00 56.10 57.27 1s24 s TRP 38 Cb 0.21 -2.46 -0.00 0.00 -0.00 0.00 0.00 33.47 31.22 1s24 s TRP 38 CO 0.74 0.57 0.00 0.00 -0.00 0.00 0.00 176.95 178.26 1s24 n PRO 41 N 2.56 0.15 -0.03 0.00 -0.04 -1.26 -2.48 135.00 133.90 1s24 n PRO 41 Ca -0.07 0.33 -0.00 0.00 -0.04 0.00 0.00 63.50 63.72 1s24 n PRO 41 Cb 0.51 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 32.12 1s24 n PRO 41 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1s24 n ASP 42 N -2.02 2.20 0.00 3.54 2.03 -1.26 -4.90 116.55 116.14 1s24 n ASP 42 Ca 0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.34 1s24 n ASP 42 Cb 0.25 1.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.79 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 3.00 1.30 0.18 0.00 0.00 -1.03 -4.93 105.19 103.71 1s24 n GLY 44 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.00 0.04 -1.00 4.61 0.00 -1.26 -4.81 120.51 118.09 1s24 n ALA 45 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1s24 n ALA 45 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.49 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 -0.63 0.00 0.51 0.00 -2.24 -1.26 -3.69 114.28 106.97 1s24 n THR 46 Ca 0.00 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1s24 n THR 46 Cb 0.03 -1.85 0.26 0.00 -2.10 0.00 0.00 70.33 66.67 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 -0.03 -0.78 3.11 -1.80 -3.29 116.57 113.77 1s24 h LYS 47 Ca 0.00 0.00 0.01 0.00 -2.81 0.00 0.00 60.65 57.85 1s24 h LYS 47 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1s24 h LYS 47 CO 0.00 0.00 0.07 0.93 -2.81 0.00 0.00 179.45 177.64 1s24 h GLU 48 N 0.00 0.00 0.00 1.90 4.39 -1.95 0.58 114.58 119.49 1s24 h GLU 48 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1s24 h GLU 48 Cb 0.80 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 1s24 h GLU 48 CO 0.00 0.00 0.00 -0.44 -1.16 0.00 0.00 179.01 177.41 1s24 h ASP 49 N 0.00 0.00 -3.08 1.42 5.19 -1.95 -3.44 116.42 114.56 1s24 h ASP 49 Ca 0.02 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.81 1s24 h ASP 49 Cb 0.15 0.00 -0.08 0.00 0.18 0.00 0.00 39.33 39.58 1s24 h ASP 49 CO -0.00 0.00 -0.33 -0.31 -3.12 0.00 0.00 179.24 175.48 1s24 s TYR 50 N -3.33 3.55 0.36 4.55 2.02 0.19 -1.03 117.35 123.68 1s24 s TYR 50 Ca 0.06 0.67 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1s24 s TYR 50 Cb 0.09 -2.24 -0.06 0.00 -0.40 0.00 0.00 41.96 39.35 1s24 s TYR 50 CO 0.57 0.45 0.05 0.14 -1.57 0.00 0.00 175.55 175.18 1s24 s VAL 51 N -0.23 1.35 -0.04 0.71 -7.23 -0.69 -4.91 120.40 109.37 1s24 s VAL 51 Ca 0.18 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.09 1s24 s VAL 51 Cb -0.14 -2.78 -0.04 0.00 0.56 0.00 0.00 36.38 33.99 1s24 s VAL 51 CO 0.06 0.00 0.80 -0.22 -0.31 0.00 0.00 175.10 175.43 1s24 s LEU 52 N -3.58 4.34 -0.39 1.32 0.20 -1.26 -1.12 118.68 118.19 1s24 s LEU 52 Ca 0.33 1.36 -0.25 0.00 0.69 0.00 0.00 54.13 56.26 1s24 s LEU 52 Cb 0.08 -3.26 0.02 0.00 -0.43 0.00 0.00 46.19 42.60 1s24 s LEU 52 CO 0.15 -0.16 0.90 -0.47 -0.29 0.00 0.00 176.35 176.48 1s24 s TYR 53 N 0.82 3.04 0.32 5.38 6.14 -1.02 -4.85 117.35 127.19 1s24 s TYR 53 Ca 0.42 0.61 0.00 0.00 0.64 0.00 0.00 57.07 58.75 1s24 s TYR 53 Cb -0.19 -3.69 0.00 0.00 0.42 0.00 0.00 41.96 38.50 1s24 s TYR 53 CO 0.22 -0.89 0.00 0.39 0.64 0.00 0.00 175.55 175.91 1s24 n GLU 54 N 6.81 -2.23 -3.84 4.97 1.02 -1.26 -4.81 120.64 121.29 1s24 n GLU 54 Ca 0.06 1.62 -0.32 0.00 -0.02 0.00 0.00 57.16 58.50 1s24 n GLU 54 Cb 0.48 -2.79 0.02 0.00 -0.02 0.00 0.00 31.44 29.13 1s24 n GLU 54 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1s24 n GLU 55 N -3.55 -1.68 0.00 3.49 2.13 -1.26 -5.03 120.64 114.74 1s24 n GLU 55 Ca -0.02 0.37 0.13 0.00 0.66 0.00 0.00 57.16 58.30 1s24 n GLU 55 Cb 0.63 -3.98 0.33 0.00 0.27 0.00 0.00 31.44 28.70 1s24 n GLU 55 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89