#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u85 s SER 2 N 0.00 7.11 0.29 1.61 0.01 -1.26 -5.03 113.70 116.43 1u85 s SER 2 Ca 0.00 1.34 -0.28 0.00 1.31 0.00 0.00 55.95 58.33 1u85 s SER 2 Cb 0.00 -2.46 -0.09 0.00 0.21 0.00 0.00 66.02 63.67 1u85 s SER 2 CO 0.00 -0.14 0.96 -0.89 0.41 0.00 0.00 173.24 173.57 1u85 s THR 3 N 0.78 4.08 -0.50 1.44 2.01 -1.26 -5.01 115.64 117.18 1u85 s THR 3 Ca 0.42 1.88 0.07 0.00 0.31 0.00 0.00 61.69 64.36 1u85 s THR 3 Cb -0.19 -4.11 0.21 0.00 0.01 0.00 0.00 72.50 68.42 1u85 s THR 3 CO 0.21 0.29 0.76 0.61 -0.69 0.00 0.00 174.62 175.80 1u85 n GLY 4 N 0.96 -0.08 3.64 4.40 0.00 -1.26 -5.12 105.19 107.74 1u85 n GLY 4 Ca 0.00 0.17 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1u85 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u85 s ILE 5 N 0.69 3.58 0.28 -0.61 -1.09 -1.26 -4.80 121.20 117.98 1u85 s ILE 5 Ca 0.31 0.67 0.06 0.00 -2.23 0.00 0.00 60.65 59.46 1u85 s ILE 5 Cb 0.09 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.43 1u85 s ILE 5 CO -0.13 -0.15 0.37 -0.54 -1.23 0.00 0.00 174.94 173.26 1u85 s LYS 6 N 4.45 3.22 0.61 2.79 1.02 -1.26 -4.99 119.74 125.58 1u85 s LYS 6 Ca 0.75 -0.92 0.31 0.00 0.02 0.00 0.00 55.97 56.12 1u85 s LYS 6 Cb -0.30 -2.79 1.69 0.00 -0.52 0.00 0.00 37.83 35.91 1u85 s LYS 6 CO 0.30 0.28 2.04 -1.00 -0.92 0.00 0.00 175.35 176.06 1u85 h PRO 7 N 1.13 0.00 -4.92 -1.68 0.13 -1.90 -3.35 132.00 121.40 1u85 h PRO 7 Ca -0.49 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.97 1u85 h PRO 7 Cb 1.24 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 32.04 1u85 h PRO 7 CO 0.58 0.00 -0.78 -0.06 -0.23 0.00 0.00 178.00 177.52 1u85 s PHE 8 N -4.46 3.06 -0.04 1.56 0.08 -0.89 -5.05 117.98 112.24 1u85 s PHE 8 Ca -0.04 -1.73 0.04 0.00 0.12 0.00 0.00 56.93 55.32 1u85 s PHE 8 Cb 0.14 -2.01 -0.00 0.00 -0.57 0.00 0.00 43.02 40.57 1u85 s PHE 8 CO 0.47 -0.77 -0.15 -1.14 -0.10 0.00 0.00 175.22 173.53 1u85 s GLN 9 N 1.27 1.54 -0.01 0.44 2.00 -1.26 -0.05 119.66 123.60 1u85 s GLN 9 Ca -0.01 -0.51 -0.30 0.00 -2.00 0.00 0.00 55.36 52.54 1u85 s GLN 9 Cb -0.17 -1.36 -0.04 0.00 0.80 0.00 0.00 33.01 32.25 1u85 s GLN 9 CO -0.06 0.20 1.10 0.00 -0.50 0.00 0.00 175.29 176.03 1u85 n PRO 11 N 4.39 1.60 -0.06 0.00 -0.04 -1.26 -2.49 135.00 137.13 1u85 n PRO 11 Ca 0.08 -0.93 -0.14 0.00 -0.04 0.00 0.00 63.50 62.48 1u85 n PRO 11 Cb 0.48 -1.25 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1u85 n PRO 11 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1u85 n ASP 12 N 0.22 1.11 -0.00 3.54 -0.08 -1.26 -4.77 116.55 115.32 1u85 n ASP 12 Ca 0.11 0.19 0.06 0.00 -1.51 0.00 0.00 54.79 53.64 1u85 n ASP 12 Cb 0.23 -0.45 -0.08 0.00 2.34 0.00 0.00 41.12 43.17 1u85 n ASP 12 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1u85 n ASP 14 N -1.34 -3.51 -4.79 0.00 -0.08 -1.04 -5.03 116.55 100.76 1u85 n ASP 14 Ca 0.02 -0.18 -0.36 0.00 -1.51 0.00 0.00 54.79 52.76 1u85 n ASP 14 Cb 0.21 -2.10 -0.06 0.00 2.34 0.00 0.00 41.12 41.50 1u85 n ASP 14 CO 0.00 0.00 0.00 0.26 0.12 0.00 0.00 177.20 177.58 1u85 s TRP 15 N -3.07 3.63 -0.07 -0.67 0.52 -1.24 -4.82 118.94 113.22 1u85 s TRP 15 Ca 0.20 1.68 0.05 0.00 0.02 0.00 0.00 56.10 58.04 1u85 s TRP 15 Cb -0.09 -2.85 -0.00 0.00 -1.15 0.00 0.00 33.47 29.38 1u85 s TRP 15 CO 0.24 0.19 -0.22 -1.54 0.02 0.00 0.00 176.95 175.64 1u85 s SER 16 N -1.71 2.79 -0.01 2.95 1.04 -1.26 0.28 113.70 117.78 1u85 s SER 16 Ca 0.50 -0.48 0.02 0.00 0.48 0.00 0.00 55.95 56.47 1u85 s SER 16 Cb -0.17 -1.00 -0.00 0.00 0.10 0.00 0.00 66.02 64.95 1u85 s SER 16 CO 0.22 0.18 -0.05 -0.36 0.98 0.00 0.00 173.24 174.20 1u85 s PHE 17 N 0.13 0.51 -0.92 5.02 0.40 0.93 -4.90 117.98 119.16 1u85 s PHE 17 Ca -0.10 -0.10 0.26 0.00 -0.60 0.00 0.00 56.93 56.39 1u85 s PHE 17 Cb -0.15 -0.35 0.64 0.00 0.51 0.00 0.00 43.02 43.67 1u85 s PHE 17 CO 0.05 -0.02 1.52 -1.13 0.70 0.00 0.00 175.22 176.34 1u85 n SER 18 N 3.04 0.44 -4.20 1.36 3.41 -1.26 -2.10 113.62 114.31 1u85 n SER 18 Ca -0.14 0.01 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 1u85 n SER 18 Cb 0.57 0.04 -0.16 0.00 -0.26 0.00 0.00 64.21 64.40 1u85 n SER 18 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1u85 s ARG 19 N -3.04 2.41 0.28 4.33 0.52 -1.26 -4.86 118.95 117.33 1u85 s ARG 19 Ca 0.11 -0.79 -0.04 0.00 -0.52 0.00 0.00 55.73 54.49 1u85 s ARG 19 Cb 0.17 -1.98 0.36 0.00 0.52 0.00 0.00 34.95 34.02 1u85 s ARG 19 CO 0.67 0.27 1.95 0.66 0.02 0.00 0.00 175.30 178.86 1u85 h SER 20 N 6.34 1.05 -0.43 0.23 4.64 -1.97 -0.99 113.55 122.40 1u85 h SER 20 Ca -0.29 -0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 1u85 h SER 20 Cb 1.19 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 63.00 1u85 h SER 20 CO 0.47 0.75 0.07 -0.78 -0.87 0.00 0.00 176.83 176.47 1u85 h ASP 21 N 1.23 0.75 -0.42 4.97 3.58 -1.98 0.18 116.42 124.73 1u85 h ASP 21 Ca 0.34 -0.15 -0.14 0.00 0.42 0.00 0.00 57.03 57.50 1u85 h ASP 21 Cb -0.11 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 1u85 h ASP 21 CO -0.08 0.78 -0.29 0.45 -2.88 0.00 0.00 179.24 177.21 1u85 h HIS 22 N 0.76 1.10 -0.37 0.28 3.86 -1.75 0.77 115.15 119.79 1u85 h HIS 22 Ca 0.16 -0.30 -0.04 0.00 -1.16 0.00 0.00 60.37 59.03 1u85 h HIS 22 Cb 0.36 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 1u85 h HIS 22 CO 0.02 1.12 0.07 1.25 0.86 0.00 0.00 177.93 181.25 1u85 h LEU 23 N 0.76 0.58 -1.21 2.43 5.85 -0.77 -2.37 115.31 120.58 1u85 h LEU 23 Ca 0.08 -0.25 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 1u85 h LEU 23 Cb 0.88 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1u85 h LEU 23 CO 0.08 0.69 -0.13 0.00 -0.34 0.00 0.00 178.44 178.73 1u85 h ALA 24 N 0.92 1.35 0.00 1.25 0.00 -0.51 0.57 119.26 122.83 1u85 h ALA 24 Ca 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1u85 h ALA 24 Cb 0.35 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u85 h ALA 24 CO 0.01 0.44 -0.08 -0.07 0.00 0.00 0.00 179.25 179.55 1u85 h LEU 25 N 0.36 0.00 0.06 0.00 3.38 -0.53 -1.68 115.31 116.89 1u85 h LEU 25 Ca 0.07 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.67 1u85 h LEU 25 Cb 0.45 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1u85 h LEU 25 CO 0.03 0.08 -2.18 1.57 0.09 0.00 0.00 178.44 178.02 1u85 n HIS 26 N -3.28 0.65 1.12 1.13 -0.00 -0.41 -4.28 115.22 110.15 1u85 n HIS 26 Ca -0.01 0.15 0.02 0.00 0.46 0.00 0.00 57.72 58.35 1u85 n HIS 26 Cb 0.28 -1.08 0.08 0.00 -0.12 0.00 0.00 29.99 29.15 1u85 n HIS 26 CO 0.00 0.00 0.00 0.54 0.46 0.00 0.00 176.34 177.34 1u85 n ARG 27 N -3.52 1.56 0.06 1.57 1.74 0.18 -3.43 116.66 114.83 1u85 n ARG 27 Ca -0.39 -0.61 -0.04 0.00 -0.77 0.00 0.00 57.85 56.04 1u85 n ARG 27 Cb 0.99 -1.35 0.18 0.00 -1.02 0.00 0.00 32.46 31.26 1u85 n ARG 27 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 1u85 h LYS 28 N 0.90 0.34 -0.84 5.56 5.09 -1.49 -1.07 116.57 125.05 1u85 h LYS 28 Ca 0.00 -0.17 -0.04 0.00 0.09 0.00 0.00 60.65 60.53 1u85 h LYS 28 Cb 0.47 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.77 1u85 h LYS 28 CO 0.04 0.70 0.05 2.89 -2.09 0.00 0.00 179.45 181.05 1u85 n ARG 29 N -4.02 2.56 -0.47 0.07 1.85 -1.22 -3.42 116.66 112.02 1u85 n ARG 29 Ca -0.02 -1.41 0.06 0.00 -1.00 0.00 0.00 57.85 55.49 1u85 n ARG 29 Cb 0.50 -1.80 0.12 0.00 -1.05 0.00 0.00 32.46 30.23 1u85 n ARG 29 CO 0.00 0.00 0.00 0.72 -0.01 0.00 0.00 177.63 178.34 1u85 n HIS 30 N 0.19 0.00 0.05 2.89 8.25 -0.41 -4.70 115.22 121.50 1u85 n HIS 30 Ca 0.15 -0.89 -0.10 0.00 -0.26 0.00 0.00 57.72 56.62 1u85 n HIS 30 Cb 0.74 -0.16 -0.13 0.00 1.12 0.00 0.00 29.99 31.56 1u85 n HIS 30 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 1u85 h MET 31 N 0.39 0.07 -3.43 -0.41 2.86 -1.61 -3.36 114.93 109.45 1u85 h MET 31 Ca -0.03 -0.11 -0.79 0.00 -2.06 0.00 0.00 59.70 56.71 1u85 h MET 31 Cb 1.18 0.04 -0.24 0.00 0.06 0.00 0.00 31.60 32.64 1u85 h MET 31 CO 0.01 0.96 1.04 1.28 1.06 0.00 0.00 176.91 181.27 1u85 n LEU 32 N -3.34 6.11 0.00 1.22 4.77 -1.26 -5.19 117.00 119.31 1u85 n LEU 32 Ca -0.06 -4.96 0.00 0.00 -0.03 0.00 0.00 56.01 50.96 1u85 n LEU 32 Cb 0.98 -1.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1u85 n LEU 32 CO 0.48 1.42 0.03 1.33 -1.33 0.00 0.00 177.39 179.32